data_4d7x_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 4d7x _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.551 0.986 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -61.96 138.53 74.0 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.428 2.752 . . . . 0.0 114.001 -175.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 53.7 ttm -62.11 -32.68 73.28 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.171 -0.956 . . . . 0.0 111.825 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.4 p80 -60.81 -34.87 75.2 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 120.145 1.339 . . . . 0.0 112.807 174.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -71.28 -43.8 66.46 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.416 1.086 . . . . 0.0 111.697 173.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -58.68 -50.38 74.1 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.59 -0.694 . . . . 0.0 110.799 174.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.0 m -58.68 -34.76 71.64 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 118.435 -0.793 . . . . 0.0 113.018 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -70.27 -31.78 69.3 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.804 1.184 . . . . 0.0 112.673 176.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -77.57 -45.51 25.08 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.658 1.183 . . . . 0.0 113.122 174.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.3 t -53.14 -35.72 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 126.217 1.807 . . . . 0.0 110.76 168.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.49 -22.64 65.45 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.24 -37.53 60.99 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 120.177 -1.577 . . . . 0.0 112.663 171.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.57 -46.3 90.48 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.77 1.628 . . . . 0.0 111.156 167.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -49.0 64.55 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.983 1.713 . . . . 0.0 111.17 177.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.9 m -61.46 -35.13 76.74 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.583 1.153 . . . . 0.0 113.108 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.1 t -72.51 -37.94 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 119.141 0.882 . . . . 0.0 111.486 174.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.3 mt -68.64 -38.31 80.39 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.565 1.075 . . . . 0.0 111.883 174.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 21.5 mmt -60.38 -33.49 72.54 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.012 1.325 . . . . 0.0 112.452 171.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.36 -32.95 74.85 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.869 1.268 . . . . 0.0 112.17 170.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.8 mm -67.06 -38.96 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 O-C-N 120.43 -1.419 . . . . 0.0 109.76 173.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -66.42 -28.93 69.0 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -69.87 -55.34 10.0 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.059 1.344 . . . . 0.0 111.941 166.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.7 mt -65.02 -37.06 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.978 1.311 . . . . 0.0 112.82 -172.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -88.58 -8.41 54.78 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.188 0.995 . . . . 0.0 113.442 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 60.64 51.7 57.06 Favored Glycine 0 C--N 1.339 0.728 0 C-N-CA 125.34 1.448 . . . . 0.0 114.842 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.77 -170.06 45.17 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-O 122.752 1.196 . . . . 0.0 114.703 172.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -107.2 164.19 12.38 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.785 2.434 . . . . 0.0 114.007 -171.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.3 t -51.32 -39.27 56.58 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.074 1.75 . . . . 0.0 114.17 171.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.3 p -71.57 -31.53 67.07 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.385 1.074 . . . . 0.0 112.478 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.1 m -71.89 -31.35 66.33 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.084 0.954 . . . . 0.0 110.914 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.17 -32.74 73.21 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.281 1.032 . . . . 0.0 112.339 167.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -64.44 -40.53 95.92 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.536 -1.352 . . . . 0.0 112.341 166.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -59.05 -36.7 75.48 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.532 1.06 . . . . 0.0 112.891 168.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.1 mmt -61.45 -41.74 97.68 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 120.163 1.347 . . . . 0.0 112.312 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -59.64 -44.52 93.49 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 121.88 -0.512 . . . . 0.0 111.728 173.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.8 t -63.26 -36.02 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.504 1.122 . . . . 0.0 112.158 176.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -68.6 -43.73 75.81 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 124.459 1.104 . . . . 0.0 109.789 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.68 -47.89 83.29 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -70.48 -23.98 62.78 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.3 t -76.21 -41.73 48.44 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.969 0.804 . . . . 0.0 111.633 167.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 1.652 ' HD1' ' CD2' ' A' ' 47' ' ' PHE . 80.9 t80 -59.45 -45.56 91.26 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.616 0.766 . . . . 0.0 112.046 174.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -53.23 -55.4 24.73 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.221 1.809 . . . . 0.0 111.311 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.4 -33.95 76.67 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.377 1.471 . . . . 0.0 112.918 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.74 -26.65 34.35 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.255 1.022 . . . . 0.0 112.465 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.4 tp -74.25 -35.82 63.83 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.95 0.9 . . . . 0.0 111.091 168.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 1.609 ' HD2' ' CD1' ' A' ' 52' ' ' PHE . 10.9 t80 -59.38 -30.05 68.14 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.66 0.784 . . . . 0.0 112.42 174.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.55 -25.7 68.36 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 120.579 -1.326 . . . . 0.0 114.083 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.262 53.6 pttt -118.2 11.32 13.17 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 127.252 2.221 . . . . 0.0 115.059 -175.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 94.7 p -53.03 18.22 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 131.627 3.971 . . . . 0.0 120.41 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 57.9 m -61.37 -5.19 1.54 Allowed 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 117.929 2.566 . . . . 0.0 117.929 -160.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 t -145.72 151.48 38.07 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.454 1.501 . . . . 0.0 109.342 157.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -57.57 -38.56 75.02 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.568 -0.708 . . . . 0.0 111.291 170.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -69.79 -24.28 63.47 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 176.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -79.99 -39.23 30.47 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.618 -1.301 . . . . 0.0 111.594 173.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -60.27 -51.33 70.01 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.751 0.705 . . . . 0.0 110.389 169.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -63.62 -45.35 90.71 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.784 0.834 . . . . 0.0 112.888 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -72.07 -36.94 69.7 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.788 1.176 . . . . 0.0 112.305 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.2 m -66.45 -37.73 85.79 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.234 0.924 . . . . 0.0 111.931 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 62.3 tpp -60.7 -48.19 82.9 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.457 0.703 . . . . 0.0 110.881 171.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.49 -44.57 85.03 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.25 1.02 . . . . 0.0 111.294 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.7 m -72.09 -26.03 61.99 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.443 1.097 . . . . 0.0 113.746 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -73.88 -41.25 62.45 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.831 0.852 . . . . 0.0 111.16 170.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.2 mt -59.03 -43.98 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 124.208 1.003 . . . . 0.0 110.125 170.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -60.59 -39.92 89.85 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.182 1.393 . . . . 0.0 113.628 174.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.61 81.81 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.626 -0.671 . . . . 0.0 112.216 175.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.7 mmt -75.39 -38.12 60.12 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.352 -0.843 . . . . 0.0 112.427 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.6 -52.17 60.69 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.862 1.665 . . . . 0.0 110.044 167.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.8 m -62.51 -33.48 74.98 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.008 0.523 . . . . 0.0 111.389 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.9 m -68.94 -33.43 73.71 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 117.325 -1.322 . . . . 0.0 112.683 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -51.81 -45.82 64.02 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 121.598 1.999 . . . . 0.0 111.644 169.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -68.17 -37.65 81.2 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 114.522 -1.217 . . . . 0.0 111.642 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -65.29 -50.91 63.89 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.049 1.34 . . . . 0.0 112.772 176.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.3 mmt-85 -59.17 -20.39 53.39 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.307 172.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -79.25 -38.39 35.67 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.117 0.871 . . . . 0.0 112.049 173.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -64.43 -43.2 95.07 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.276 -0.89 . . . . 0.0 111.159 173.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -69.37 -18.56 63.8 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.363 1.465 . . . . 0.0 114.445 174.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.478 0.948 0 CA-C-N 119.267 0.94 . . . . 0.0 113.377 -179.087 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.55 0.95 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_exo -60.97 139.9 87.26 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.151 1.901 . . . . 0.0 113.081 -171.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 51.3 ttm -61.6 -31.08 71.13 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.157 0.583 . . . . 0.0 112.144 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -60.75 -44.76 96.31 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 169.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -69.93 -40.13 75.7 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.868 0.758 . . . . 0.0 112.105 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -55.45 -54.9 38.03 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 122.887 0.475 . . . . 0.0 111.236 170.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.0 m -58.24 -38.13 76.25 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.901 0.481 . . . . 0.0 112.188 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -67.76 -27.99 67.24 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.359 1.464 . . . . 0.0 113.57 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -77.66 -46.8 20.91 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.835 1.254 . . . . 0.0 112.552 169.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.4 t -56.51 -41.87 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.679 1.192 . . . . 0.0 110.313 173.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.4 72.61 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 119.375 0.989 . . . . 0.0 112.996 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -70.09 -36.4 74.87 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.729 1.212 . . . . 0.0 111.418 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tt -69.25 -47.93 63.28 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.713 2.005 . . . . 0.0 112.335 168.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -44.4 95.43 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.692 1.197 . . . . 0.0 110.405 -174.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.9 m -57.81 -37.05 73.08 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.855 0.862 . . . . 0.0 111.6 175.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -72.41 -41.97 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.8 0.84 . . . . 0.0 111.786 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.5 mt -66.61 -36.63 83.05 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.63 1.104 . . . . 0.0 111.944 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.4 mmt -61.18 -36.12 79.0 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.92 1.288 . . . . 0.0 111.671 170.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -37.23 85.89 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.53 0.732 . . . . 0.0 111.869 171.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 mm -65.7 -43.58 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 121.049 -1.032 . . . . 0.0 109.331 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -65.71 -41.29 92.47 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 122.952 0.501 . . . . 0.0 112.146 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -63.87 -50.79 67.44 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.204 1.002 . . . . 0.0 112.156 173.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 91.2 mt -70.6 -44.12 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.753 0.821 . . . . 0.0 111.218 -174.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -78.93 -21.65 46.95 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.204 -0.935 . . . . 0.0 112.773 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.35 51.11 34.03 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 124.41 1.005 . . . . 0.0 113.532 176.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.67 178.35 53.26 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 159.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -83.5 167.95 16.93 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.148 0.979 . . . . 0.0 112.793 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -65.46 -21.69 66.67 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.503 0.721 . . . . 0.0 112.5 172.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.2 p -68.7 -39.87 80.29 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.163 -1.586 . . . . 0.0 111.808 167.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -63.65 -35.31 80.11 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.251 -0.905 . . . . 0.0 111.344 170.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.88 95.56 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.98 0.912 . . . . 0.0 112.672 174.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -62.6 -39.46 93.8 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 121.134 -0.979 . . . . 0.0 111.845 170.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -59.57 -30.25 68.51 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.753 -1.217 . . . . 0.0 113.681 169.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.0 mmt -72.14 -38.03 69.31 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.759 1.163 . . . . 0.0 112.437 171.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.26 -44.34 83.85 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 118.868 0.758 . . . . 0.0 111.709 169.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.34 -41.6 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.271 1.029 . . . . 0.0 111.702 172.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -39.69 86.32 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.118 0.872 . . . . 0.0 110.155 -178.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.14 -48.78 64.45 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.91 0.884 . . . . 0.0 112.772 177.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.78 -34.73 78.84 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.843 0.857 . . . . 0.0 112.392 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.2 t -68.37 -40.64 81.38 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.278 1.031 . . . . 0.0 112.877 171.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -58.12 -44.13 87.58 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.543 0.737 . . . . 0.0 111.975 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.09 -54.35 36.9 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.444 0.64 . . . . 0.0 111.562 172.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.13 -28.47 65.4 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.516 1.126 . . . . 0.0 113.682 -171.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.95 -42.17 27.56 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.328 1.051 . . . . 0.0 111.44 172.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.1 tp -69.89 -31.83 69.85 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.327 -0.858 . . . . 0.0 112.169 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 1.639 ' HE2' ' CE1' ' A' ' 52' ' ' PHE . 13.6 t80 -64.3 -30.62 71.66 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.196 0.999 . . . . 0.0 113.127 178.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -60.15 -38.66 83.82 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.288 1.035 . . . . 0.0 111.308 170.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -94.67 -0.49 54.34 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.309 1.844 . . . . 0.0 113.839 -175.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 t -64.15 20.53 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 129.037 2.935 . . . . 0.0 116.145 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.4 m -62.42 -14.29 38.98 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.03 1.332 . . . . 0.0 113.535 -171.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.8 t -134.82 137.48 43.36 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.67 1.588 . . . . 0.0 107.979 157.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.4 tttm -71.09 -29.91 65.89 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.897 0.879 . . . . 0.0 111.704 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -53.47 -45.14 69.48 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.56 0.744 . . . . 0.0 110.823 170.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -72.81 -41.94 64.38 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.504 0.722 . . . . 0.0 112.629 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 1.654 ' HE2' ' CE1' ' A' ' 61' ' ' TYR . 84.7 t80 -58.25 -53.0 63.21 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.991 0.916 . . . . 0.0 110.992 177.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -64.9 -44.7 88.71 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 122.952 0.501 . . . . 0.0 111.331 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -59.84 -41.37 91.22 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.024 0.929 . . . . 0.0 111.813 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.8 m -72.77 -44.49 61.51 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.37 0.668 . . . . 0.0 111.793 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 38.4 ttm -59.49 -46.65 88.19 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.286 0.494 . . . . 0.0 111.063 174.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -39.36 93.92 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.215 0.461 . . . . 0.0 112.212 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.1 m -71.63 -32.68 68.22 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.286 -0.883 . . . . 0.0 113.333 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -75.49 -38.61 59.41 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 118.81 -0.614 . . . . 0.0 112.384 171.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.4 mt -56.64 -48.3 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 118.944 0.793 . . . . 0.0 110.458 171.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -64.5 -40.45 95.67 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.236 0.925 . . . . 0.0 112.777 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.28 92.09 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.663 -0.648 . . . . 0.0 112.255 176.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.7 mmm -77.06 -32.91 57.15 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.082 -1.011 . . . . 0.0 112.517 177.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -63.82 -37.87 89.0 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.467 1.507 . . . . 0.0 112.13 170.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.1 m -72.35 -26.76 62.04 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.53 0.732 . . . . 0.0 112.826 167.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.9 m -71.93 -29.86 64.73 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 120.749 -1.219 . . . . 0.0 112.765 175.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -49.92 -48.43 51.78 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 120.258 1.39 . . . . 0.0 111.772 170.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -67.2 -33.65 75.82 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 126.184 1.794 . . . . 0.0 111.074 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -65.79 -48.39 71.92 Favored 'General case' 0 CA--C 1.518 -0.283 0 O-C-N 121.177 -0.952 . . . . 0.0 112.046 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 75.3 mmt-85 -60.29 -22.37 63.06 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.527 0.731 . . . . 0.0 112.773 172.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -79.78 -40.83 27.83 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.699 0.799 . . . . 0.0 111.491 173.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -71.67 -33.48 68.89 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.21 1.404 . . . . 0.0 112.585 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -67.7 -28.16 67.43 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.922 1.289 . . . . 0.0 112.405 166.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.477 0.911 0 CA-C-N 118.55 0.614 . . . . 0.0 111.836 172.061 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.552 1.022 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -65.97 141.46 64.57 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.408 2.072 . . . . 0.0 113.324 -173.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.4 ptt? -60.34 -30.76 69.73 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.345 -0.847 . . . . 0.0 111.938 171.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -66.7 -33.24 75.19 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.009 0.822 . . . . 0.0 113.14 173.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 73.9 tp60 -69.29 -42.92 74.82 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.337 0.655 . . . . 0.0 110.811 173.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 mtm-85 -59.47 -48.98 79.55 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.256 0.48 . . . . 0.0 110.677 173.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 m -58.01 -33.62 69.14 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 175.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -73.11 -38.08 66.47 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.54 1.136 . . . . 0.0 112.543 176.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -67.02 -43.98 81.45 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.774 0.83 . . . . 0.0 111.009 173.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.41 -40.42 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 124.602 1.161 . . . . 0.0 110.417 170.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.87 85.76 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.719 1.145 . . . . 0.0 113.15 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.11 -47.7 78.99 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.422 1.01 . . . . 0.0 111.513 170.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tt -57.48 -49.93 74.69 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.059 0.944 . . . . 0.0 111.784 176.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -43.83 97.34 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.605 1.562 . . . . 0.0 110.447 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.4 m -64.63 -33.02 74.94 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.17 0.988 . . . . 0.0 112.418 177.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.5 t -74.6 -41.08 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.942 0.897 . . . . 0.0 111.616 172.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.6 mt -65.33 -37.2 86.36 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.911 1.232 . . . . 0.0 112.363 174.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.5 mmt -60.49 -31.67 70.69 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.082 1.353 . . . . 0.0 111.597 168.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.68 -35.19 74.9 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.167 -0.958 . . . . 0.0 112.518 170.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.9 mm -63.76 -42.6 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-N 120.278 1.399 . . . . 0.0 109.459 173.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.54 -43.92 97.99 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.948 0.899 . . . . 0.0 111.667 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -68.22 -29.88 68.82 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.724 1.209 . . . . 0.0 113.954 174.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.6 mt -79.87 -38.03 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.43 1.013 . . . . 0.0 111.374 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -78.54 -21.33 48.94 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 119.256 0.935 . . . . 0.0 113.252 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.25 51.49 9.96 Favored Glycine 0 N--CA 1.469 0.836 0 O-C-N 121.662 -0.649 . . . . 0.0 111.537 -169.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.32 151.36 29.69 Favored Glycine 0 CA--C 1.53 1.002 0 CA-C-O 122.814 1.23 . . . . 0.0 114.6 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.23 158.3 36.12 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.538 1.935 . . . . 0.0 113.705 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.2 t -59.3 -30.24 68.19 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.158 0.983 . . . . 0.0 113.501 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.4 p -76.86 -33.86 57.86 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 121.158 -0.964 . . . . 0.0 112.46 173.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -66.69 -31.32 71.91 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.252 -1.53 . . . . 0.0 111.15 169.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.42 -30.75 69.71 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 121.138 -0.976 . . . . 0.0 112.298 170.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.46 -42.06 92.69 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.941 -1.099 . . . . 0.0 112.535 167.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -60.4 -34.35 73.79 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.556 0.946 . . . . 0.0 113.556 171.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.5 mmt -64.78 -41.15 96.06 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.574 1.079 . . . . 0.0 112.364 174.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -58.31 -43.38 88.1 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.79 0.436 . . . . 0.0 111.164 172.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.38 -41.72 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.187 0.995 . . . . 0.0 112.305 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -65.97 -42.68 89.57 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 119.393 0.997 . . . . 0.0 110.371 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.76 94.6 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.005 0.522 . . . . 0.0 112.359 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -71.2 -37.86 72.09 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.156 0.982 . . . . 0.0 112.142 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 84.1 p -73.64 -35.43 65.28 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.382 0.992 . . . . 0.0 112.913 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -55.11 -52.55 62.9 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.744 0.818 . . . . 0.0 111.86 171.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -40.04 75.87 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.46 -30.9 70.89 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.283 0.947 . . . . 0.0 112.849 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.2 -44.19 22.36 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.101 0.96 . . . . 0.0 111.802 173.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.0 tp -65.38 -29.48 70.2 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 120.651 -1.28 . . . . 0.0 112.275 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 1.623 ' HE2' ' CE1' ' A' ' 52' ' ' PHE . 32.6 t80 -63.24 -32.47 73.88 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.854 1.262 . . . . 0.0 112.484 173.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -72.93 -15.78 61.56 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.627 -1.295 . . . . 0.0 114.235 170.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -97.52 -2.82 41.05 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.16 1.784 . . . . 0.0 114.058 173.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.9 p -66.38 21.1 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 127.879 2.472 . . . . 0.0 116.498 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.8 p -62.05 -15.55 45.5 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 120.551 -1.343 . . . . 0.0 113.162 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.9 m -128.89 142.37 50.98 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.227 2.211 . . . . 0.0 109.716 158.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.6 tttm -63.02 -38.84 92.79 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.794 1.238 . . . . 0.0 111.021 171.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.85 -39.85 86.56 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.343 0.657 . . . . 0.0 112.467 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -72.48 -38.47 68.19 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.082 1.31 . . . . 0.0 112.501 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 1.659 ' HE1' ' CE2' ' A' ' 61' ' ' TYR . 60.9 t80 -60.83 -50.98 71.26 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 117.975 0.352 . . . . 0.0 110.16 171.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.33 -46.95 78.24 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.601 -0.687 . . . . 0.0 112.132 -177.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -69.57 -37.15 76.87 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.781 0.719 . . . . 0.0 111.921 -172.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 m -72.84 -42.05 64.18 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.437 0.695 . . . . 0.0 111.356 176.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -54.33 -52.15 62.45 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.23 1.012 . . . . 0.0 111.244 171.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -66.58 -33.14 75.01 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.9 t -66.62 -45.96 77.41 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.705 0.802 . . . . 0.0 111.601 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -75.58 -32.77 60.48 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 176.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.9 mt -62.86 -45.18 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 119.73 1.15 . . . . 0.0 110.248 169.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.21 -40.03 84.53 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.407 1.003 . . . . 0.0 112.103 172.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.47 -40.34 93.06 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.37 0.986 . . . . 0.0 113.141 177.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.6 mmt -73.72 -39.18 64.5 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 121.282 -0.886 . . . . 0.0 112.407 176.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -67.57 -30.74 70.44 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.262 1.425 . . . . 0.0 111.513 174.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.8 m -69.98 -39.36 75.99 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.772 0.829 . . . . 0.0 111.885 165.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 53.1 m -65.04 -33.53 76.26 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 117.843 -1.075 . . . . 0.0 112.976 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -48.76 -48.36 41.03 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 120.556 1.525 . . . . 0.0 112.896 175.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -69.68 -29.01 66.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.655 -175.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -76.46 -43.4 40.11 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.436 1.094 . . . . 0.0 112.662 173.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -53.99 -23.75 14.37 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.312 1.045 . . . . 0.0 112.989 170.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.65 -22.95 46.09 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 174.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -71.34 -28.64 64.22 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.737 1.615 . . . . 0.0 112.304 173.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.94 -22.97 65.92 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.947 0.899 . . . . 0.0 111.954 169.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 N--CA 1.477 0.892 0 C-N-CA 124.825 1.25 . . . . 0.0 114.135 176.167 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.552 1.02 0 CA-C-O 119.188 -0.435 . . . . 0.0 111.666 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -62.05 136.61 61.9 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.779 2.986 . . . . 0.0 114.027 -176.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.7 ptm -61.29 -31.14 70.97 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.583 -0.698 . . . . 0.0 112.16 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -62.22 -39.45 92.83 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.387 -0.821 . . . . 0.0 111.795 173.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -71.54 -39.02 70.97 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.551 0.74 . . . . 0.0 111.486 176.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.3 mtm105 -59.4 -44.91 92.74 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 118.45 -0.786 . . . . 0.0 111.197 171.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.9 m -62.2 -35.92 80.35 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.389 0.676 . . . . 0.0 112.644 174.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -70.14 -35.29 73.94 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.006 -1.059 . . . . 0.0 112.297 176.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -71.62 -33.65 69.15 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.44 0.696 . . . . 0.0 112.352 171.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.78 -35.69 66.07 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 124.71 1.204 . . . . 0.0 111.433 167.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.55 -36.52 80.84 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 120.129 1.331 . . . . 0.0 113.081 -176.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -64.31 -44.63 90.98 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.373 1.069 . . . . 0.0 111.899 173.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tt -62.65 -43.4 98.91 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.329 1.451 . . . . 0.0 111.57 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -43.0 93.8 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.174 1.389 . . . . 0.0 110.521 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.1 m -58.26 -38.95 77.94 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.073 0.949 . . . . 0.0 112.534 174.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 t -73.37 -38.98 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.365 1.066 . . . . 0.0 112.138 176.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.9 mt -71.3 -36.82 71.79 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.904 1.229 . . . . 0.0 112.699 176.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.5 mmt -55.52 -42.8 75.03 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.292 1.037 . . . . 0.0 111.136 166.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.46 -36.96 79.5 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.676 0.79 . . . . 0.0 112.701 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.9 mm -60.89 -45.24 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 120.217 1.372 . . . . 0.0 109.261 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -67.94 -38.0 82.29 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.326 0.651 . . . . 0.0 112.144 -174.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -71.82 -48.95 42.74 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.145 0.978 . . . . 0.0 111.817 173.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.34 -48.47 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.741 0.817 . . . . 0.0 111.358 -176.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -93.84 9.27 37.95 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -172.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.64 39.84 77.68 Favored Glycine 0 N--CA 1.471 1.008 0 O-C-N 121.203 -0.935 . . . . 0.0 115.3 173.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.2 152.1 47.91 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 122.106 0.836 . . . . 0.0 113.326 174.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -67.3 157.51 33.76 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.811 1.644 . . . . 0.0 112.152 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -65.78 -22.48 66.58 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.743 -1.223 . . . . 0.0 112.945 173.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.9 p -74.3 -34.63 63.57 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.234 -1.541 . . . . 0.0 112.073 166.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.0 m -63.85 -39.8 95.06 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 120.737 -1.227 . . . . 0.0 110.657 168.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.8 84.73 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.354 1.062 . . . . 0.0 112.371 171.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -65.77 -39.1 90.69 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.002 -1.061 . . . . 0.0 112.34 172.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -66.45 -29.25 69.34 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 120.817 -1.177 . . . . 0.0 113.218 171.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.4 mmt -64.04 -43.47 95.44 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.697 1.135 . . . . 0.0 111.808 168.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -57.57 -45.17 85.53 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 118.967 0.803 . . . . 0.0 111.377 174.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.7 t -61.56 -42.7 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.498 1.119 . . . . 0.0 112.321 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -68.09 -40.73 82.57 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.407 1.083 . . . . 0.0 110.564 -178.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.25 -46.93 81.63 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.528 0.731 . . . . 0.0 111.796 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -71.49 -26.57 62.75 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.779 1.232 . . . . 0.0 112.504 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.5 t -69.9 -32.47 70.81 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.255 1.422 . . . . 0.0 113.101 169.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 1.66 ' HD2' ' CD1' ' A' ' 47' ' ' PHE . 52.3 t80 -71.47 -44.46 64.71 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -176.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.65 -36.11 77.87 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.552 1.069 . . . . 0.0 112.136 173.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.96 -26.0 65.72 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.1 0.96 . . . . 0.0 113.209 178.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.35 -43.02 21.85 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.177 0.991 . . . . 0.0 112.189 167.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.2 tp -71.59 -27.67 63.29 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.484 -0.76 . . . . 0.0 112.761 -175.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -57.21 -32.96 67.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.016 0.926 . . . . 0.0 112.345 173.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -70.57 -17.96 62.91 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -97.43 -7.16 32.29 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.321 1.848 . . . . 0.0 114.091 174.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.9 t -66.41 22.2 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 128.523 2.729 . . . . 0.0 117.743 -167.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.2 p -60.51 -12.89 11.04 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.0 m -140.62 137.97 34.03 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.25 0.932 . . . . 0.0 109.833 158.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -58.13 -33.9 69.65 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.265 0.626 . . . . 0.0 112.138 174.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -63.08 -35.43 80.22 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.684 1.194 . . . . 0.0 111.883 176.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.82 -36.53 50.07 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.277 1.031 . . . . 0.0 112.03 175.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 1.651 ' HE2' ' CE1' ' A' ' 61' ' ' TYR . 27.3 t80 -60.49 -50.16 74.67 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.636 -0.665 . . . . 0.0 110.619 170.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -63.51 -43.53 96.95 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.502 1.121 . . . . 0.0 112.323 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -60.35 -45.24 94.16 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.498 0.719 . . . . 0.0 111.66 172.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.7 m -73.41 -35.38 65.85 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.782 -0.574 . . . . 0.0 111.829 -174.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 67.8 mmm -56.99 -50.8 71.59 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.77 0.714 . . . . 0.0 111.255 167.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -58.46 -43.07 88.71 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.498 1.119 . . . . 0.0 111.733 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 t -64.22 -42.65 96.5 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.962 1.305 . . . . 0.0 113.073 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -43.8 86.78 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.031 0.932 . . . . 0.0 111.317 173.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.89 -38.92 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 124.592 1.157 . . . . 0.0 111.38 176.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -63.01 -42.17 99.75 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.868 1.213 . . . . 0.0 112.063 174.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.2 -35.73 81.76 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 176.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.4 mtt -77.3 -33.08 55.74 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.291 1.036 . . . . 0.0 113.094 175.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 36.9 mtt-85 -59.77 -45.78 91.22 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.54 1.136 . . . . 0.0 110.83 168.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.9 m -57.98 -32.38 67.82 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.954 0.902 . . . . 0.0 112.168 172.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.2 m -69.53 -46.61 66.1 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 117.519 -1.229 . . . . 0.0 112.131 171.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -50.06 -46.21 53.01 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 120.638 1.563 . . . . 0.0 111.155 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -68.21 -35.97 78.79 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.277 1.831 . . . . 0.0 111.843 -174.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -70.68 -51.57 26.84 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.828 0.823 . . . . 0.0 112.218 173.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -56.92 -17.46 9.66 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.193 -1.367 . . . . 0.0 113.003 173.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -75.21 -50.56 15.82 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 118.747 0.703 . . . . 0.0 111.125 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -79.07 -31.88 44.6 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -170.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.56 -16.78 64.37 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 166.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.474 0.765 0 C-N-CA 123.614 0.766 . . . . 0.0 111.959 171.83 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.551 1.01 0 CA-C-O 119.074 -0.488 . . . . 0.0 111.637 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -51.14 134.17 42.95 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 124.579 3.519 . . . . 0.0 115.999 -167.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -34.45 55.62 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.287 1.035 . . . . 0.0 113.24 175.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -67.61 -37.9 83.18 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 174.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -70.99 -34.8 71.72 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.686 -1.258 . . . . 0.0 112.082 172.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 71.6 mtm-85 -63.56 -44.26 94.65 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.905 0.775 . . . . 0.0 111.18 172.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.8 m -66.22 -28.69 68.93 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.061 0.944 . . . . 0.0 113.175 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -69.24 -42.72 75.28 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.474 1.11 . . . . 0.0 111.987 171.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -61.59 -43.2 99.3 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.974 0.806 . . . . 0.0 111.79 172.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.7 t -57.64 -35.96 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 124.594 1.157 . . . . 0.0 111.219 174.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.66 74.99 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.494 1.043 . . . . 0.0 113.362 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -65.57 -41.84 92.44 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.469 -0.77 . . . . 0.0 111.674 172.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.95 -46.54 84.22 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.444 1.498 . . . . 0.0 111.69 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -47.24 71.59 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 124.674 1.19 . . . . 0.0 111.534 175.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.9 m -66.55 -30.67 71.03 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.081 0.953 . . . . 0.0 112.132 -177.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.5 t -74.53 -46.06 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 118.564 -0.732 . . . . 0.0 111.306 170.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.9 mt -66.52 -33.36 75.51 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.057 1.298 . . . . 0.0 112.874 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 70.5 mmm -59.18 -37.3 77.03 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.014 1.325 . . . . 0.0 111.468 166.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -39.64 93.19 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.214 0.606 . . . . 0.0 111.995 171.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.8 mm -62.38 -45.82 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 119.274 0.943 . . . . 0.0 108.823 176.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -65.71 -35.99 82.33 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -71.34 -42.46 68.49 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.329 1.052 . . . . 0.0 112.331 177.183 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.0 mt -68.3 -40.91 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.458 1.103 . . . . 0.0 110.669 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -72.2 -25.81 61.81 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.874 0.869 . . . . 0.0 113.218 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.06 51.05 36.04 Favored Glycine 0 CA--C 1.526 0.777 0 CA-C-N 119.331 0.969 . . . . 0.0 112.533 -173.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.13 -160.74 25.25 Favored Glycine 0 CA--C 1.535 1.328 0 CA-C-O 121.962 0.757 . . . . 0.0 112.974 165.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -117.83 168.25 10.65 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.505 2.322 . . . . 0.0 112.112 -170.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 t -59.54 -28.93 67.53 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.649 1.179 . . . . 0.0 112.49 168.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.9 m -69.22 -40.05 78.21 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.202 1.001 . . . . 0.0 111.676 169.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 m -67.65 -35.57 79.12 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.114 -0.991 . . . . 0.0 111.073 175.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.07 95.24 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.947 0.899 . . . . 0.0 112.077 171.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -62.25 -43.35 99.02 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.181 0.901 . . . . 0.0 112.592 170.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -61.74 -30.79 71.01 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.119 -0.988 . . . . 0.0 113.384 174.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.5 mmt -73.53 -41.12 63.43 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.024 0.93 . . . . 0.0 112.607 169.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -59.14 -42.05 89.72 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.165 1.386 . . . . 0.0 112.201 175.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 t -57.46 -37.04 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 126.061 1.745 . . . . 0.0 112.244 170.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -71.99 -35.24 69.42 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.277 1.031 . . . . 0.0 111.064 -176.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.04 -44.76 60.35 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.013 0.925 . . . . 0.0 112.514 175.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -63.34 -33.0 74.57 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.586 1.155 . . . . 0.0 112.69 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.2 p -78.59 -31.08 47.02 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.259 1.024 . . . . 0.0 113.641 173.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -62.42 -52.15 64.7 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.924 0.89 . . . . 0.0 112.78 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.9 -41.13 77.55 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.848 0.749 . . . . 0.0 111.919 177.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.01 -34.93 73.94 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.969 1.308 . . . . 0.0 114.011 -176.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.38 -40.39 51.15 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.367 0.667 . . . . 0.0 111.169 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.0 tp -70.96 -28.83 64.75 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 122.89 0.476 . . . . 0.0 111.988 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -63.97 -28.36 69.76 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.723 1.609 . . . . 0.0 113.267 172.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -71.94 -40.36 68.79 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.465 -1.397 . . . . 0.0 112.092 166.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -88.18 2.35 52.38 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.458 1.503 . . . . 0.0 115.048 -173.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 85.2 p -62.32 23.6 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 131.035 3.734 . . . . 0.0 118.019 -173.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.7 m -60.37 -20.3 58.98 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.469 -1.395 . . . . 0.0 114.528 -159.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.2 m -136.33 144.05 44.44 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.081 1.352 . . . . 0.0 110.253 154.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -60.87 -32.92 72.34 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.58 1.152 . . . . 0.0 111.38 176.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -55.8 -38.47 70.0 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.74 1.216 . . . . 0.0 112.684 173.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -81.45 -38.84 25.78 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.973 0.909 . . . . 0.0 112.494 174.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -56.67 -50.9 70.75 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.103 0.865 . . . . 0.0 110.567 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -72.79 -30.32 64.0 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.566 -0.709 . . . . 0.0 112.898 -177.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.39 -45.03 92.61 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.181 -0.95 . . . . 0.0 110.827 166.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.2 m -75.94 -39.48 56.04 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.003 0.921 . . . . 0.0 112.904 -174.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -64.71 -41.79 95.74 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.237 1.015 . . . . 0.0 111.635 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -64.96 -49.42 70.37 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.311 1.044 . . . . 0.0 109.83 170.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.9 m -65.79 -26.92 67.91 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.744 1.156 . . . . 0.0 114.12 -174.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -75.26 -43.5 51.08 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.595 1.089 . . . . 0.0 112.231 173.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 23.1 mt -56.37 -37.79 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.035 0.534 . . . . 0.0 110.554 167.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -66.37 -44.12 84.03 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.298 1.039 . . . . 0.0 112.981 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.27 93.37 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.079 0.552 . . . . 0.0 110.914 172.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.2 mtt -68.79 -38.28 79.88 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.527 -0.733 . . . . 0.0 112.824 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.0 mtm105 -60.26 -40.0 88.77 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 120.858 -1.151 . . . . 0.0 111.511 168.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.1 m -67.37 -36.7 81.9 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.91 0.884 . . . . 0.0 111.744 176.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.2 m -66.95 -42.01 85.97 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.663 1.185 . . . . 0.0 112.101 172.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -50.83 -39.94 54.58 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.766 1.626 . . . . 0.0 112.496 172.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.72 -40.19 66.33 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.027 1.331 . . . . 0.0 111.683 176.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -61.77 -49.89 74.54 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 120.566 -1.334 . . . . 0.0 113.513 175.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 72.2 mmt-85 -58.63 -17.53 22.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.914 0.886 . . . . 0.0 112.832 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -77.97 -41.56 35.68 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.301 0.955 . . . . 0.0 112.197 173.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 72.7 mtm-85 -63.78 -41.45 97.94 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.881 0.872 . . . . 0.0 111.517 173.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.07 -15.91 63.06 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 124.745 1.218 . . . . 0.0 112.984 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.4 t . . . . . 0 N--CA 1.479 0.986 0 CA-C-N 119.673 1.124 . . . . 0.0 112.898 172.643 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.551 0.987 0 CA-C-O 119.263 -0.398 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -58.73 135.82 69.69 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.44 2.76 . . . . 0.0 114.75 -168.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 69.5 mtm -66.04 -20.66 66.25 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 172.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -67.71 -34.77 77.53 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 120.276 1.398 . . . . 0.0 112.842 166.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -71.1 -53.17 15.54 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.135 0.879 . . . . 0.0 110.506 175.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -52.79 -47.95 67.19 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.751 0.705 . . . . 0.0 111.343 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.3 m -62.97 -27.47 69.42 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -73.46 -32.82 64.55 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 120.033 1.288 . . . . 0.0 112.007 171.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -71.36 -48.53 49.53 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.138 0.881 . . . . 0.0 111.31 172.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.7 t -56.05 -34.34 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 126.437 1.895 . . . . 0.0 111.312 173.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.14 -29.5 70.38 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.169 0.895 . . . . 0.0 112.764 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -74.62 -38.28 62.59 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.282 1.433 . . . . 0.0 112.031 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.94 -45.58 94.13 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.19 1.796 . . . . 0.0 110.466 166.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -48.17 81.09 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.166 0.986 . . . . 0.0 112.745 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.9 m -54.44 -37.31 65.01 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.984 0.913 . . . . 0.0 112.354 175.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.1 t -74.22 -42.54 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.161 0.984 . . . . 0.0 111.873 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.3 mt -66.56 -37.21 84.47 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.866 0.757 . . . . 0.0 112.47 175.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.9 mmt -60.89 -33.56 73.3 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.552 1.541 . . . . 0.0 111.706 170.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -34.68 78.67 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.441 -0.787 . . . . 0.0 112.121 174.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 mm -64.49 -36.97 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 O-C-N 121.335 -0.853 . . . . 0.0 110.191 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -61.8 -37.96 86.33 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.796 0.838 . . . . 0.0 111.826 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt -77.86 -30.78 51.09 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.461 1.504 . . . . 0.0 113.593 173.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.0 mt -75.12 -41.22 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.462 1.105 . . . . 0.0 112.192 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -112.98 14.22 19.64 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.012 1.325 . . . . 0.0 113.813 -167.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.3 21.38 75.83 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 121.043 -1.035 . . . . 0.0 115.463 175.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.81 142.74 48.35 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-N 118.109 0.955 . . . . 0.0 112.626 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.15 176.78 8.17 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.687 1.195 . . . . 0.0 113.482 177.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.3 p -62.86 -28.92 70.36 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.0 m -69.5 -40.18 77.15 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.511 1.125 . . . . 0.0 111.177 173.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.9 m -60.09 -41.12 91.79 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.556 0.742 . . . . 0.0 110.659 171.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.39 -34.8 76.68 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 121.392 -0.817 . . . . 0.0 112.717 175.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -63.28 -36.8 84.88 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 120.746 -1.221 . . . . 0.0 112.574 169.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -70.96 -29.39 65.39 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 170.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.6 mmt -62.07 -43.18 99.39 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.282 1.401 . . . . 0.0 111.576 168.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -57.09 -42.13 80.16 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.972 0.509 . . . . 0.0 111.779 171.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.5 t -69.35 -30.15 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 123.787 0.835 . . . . 0.0 112.802 174.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.38 -35.91 76.28 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 120.337 -1.477 . . . . 0.0 110.072 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.11 -48.18 58.67 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.205 1.002 . . . . 0.0 112.467 172.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -65.86 -31.03 71.75 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.348 1.059 . . . . 0.0 113.712 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.8 p -78.55 -24.85 45.42 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.72 1.208 . . . . 0.0 113.139 170.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.408 ' CD1' ' HE2' ' A' ' 68' ' ' LYS . 37.9 t80 -68.11 -45.68 73.04 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.522 1.055 . . . . 0.0 111.879 168.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -52.66 -51.74 58.86 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 121.647 0.737 . . . . 0.0 110.135 171.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.45 -33.82 76.41 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.48 -44.84 61.73 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.572 0.749 . . . . 0.0 111.29 175.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.6 tp -74.17 -28.07 61.12 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.583 1.153 . . . . 0.0 112.475 -175.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 1.612 ' HE1' ' CE2' ' A' ' 52' ' ' PHE . 39.3 t80 -60.63 -32.92 72.05 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.284 1.034 . . . . 0.0 112.394 178.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -71.5 -29.42 64.79 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.0 -1.063 . . . . 0.0 113.086 171.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -83.75 -3.2 57.61 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.763 1.625 . . . . 0.0 113.156 177.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.5 t -69.06 21.83 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 128.155 2.582 . . . . 0.0 116.408 -167.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.0 m -68.41 1.21 3.18 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -172.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.1 t -146.96 144.62 29.33 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.793 1.237 . . . . 0.0 109.529 152.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -68.04 -38.67 82.77 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.591 0.756 . . . . 0.0 110.932 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -54.44 -41.5 69.47 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.274 1.03 . . . . 0.0 111.125 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -78.57 -36.14 44.88 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.721 0.808 . . . . 0.0 112.794 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -60.03 -52.78 63.91 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.703 1.138 . . . . 0.0 110.596 174.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -71.23 -33.76 70.16 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.577 -0.702 . . . . 0.0 112.65 -176.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.95 -41.21 82.8 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.24 0.616 . . . . 0.0 111.785 171.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.0 m -68.44 -33.62 74.52 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.782 0.719 . . . . 0.0 111.704 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 61.0 tpp -62.03 -45.96 91.28 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.328 0.967 . . . . 0.0 111.692 170.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -62.02 -44.22 97.18 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.998 0.919 . . . . 0.0 111.407 174.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.1 t -60.6 -38.92 86.26 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.787 1.235 . . . . 0.0 112.983 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.408 ' HE2' ' CD1' ' A' ' 47' ' ' PHE . 53.7 tptt -68.06 -46.68 70.39 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.264 1.426 . . . . 0.0 112.151 175.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 57.5 mt -53.46 -49.17 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.428 1.091 . . . . 0.0 109.473 173.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.71 -41.56 95.91 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.61 1.164 . . . . 0.0 113.753 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.67 93.27 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.719 0.808 . . . . 0.0 111.935 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.6 mtt -71.3 -29.55 65.17 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.933 0.893 . . . . 0.0 112.153 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -36.88 85.08 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.701 1.137 . . . . 0.0 111.413 168.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.7 t -64.7 -41.56 95.92 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.869 -0.52 . . . . 0.0 111.903 170.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.2 m -59.73 -47.57 85.14 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.5 0.72 . . . . 0.0 111.388 173.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.05 -42.87 50.59 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 128.043 2.537 . . . . 0.0 114.144 176.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.15 -30.91 58.31 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.382 0.673 . . . . 0.0 112.295 178.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.1 tttt -70.42 -46.05 64.67 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.184 0.994 . . . . 0.0 112.443 175.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -53.58 -27.71 28.03 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.549 1.14 . . . . 0.0 111.924 168.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -77.48 -39.37 46.74 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.517 1.053 . . . . 0.0 112.272 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -64.96 -38.17 90.08 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.166 0.986 . . . . 0.0 112.441 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -75.24 -21.43 58.59 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 124.528 1.131 . . . . 0.0 113.072 173.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.482 1.138 0 CA-C-N 119.835 1.198 . . . . 0.0 112.982 -179.48 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.547 0.845 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -60.61 139.45 85.95 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.411 2.074 . . . . 0.0 114.101 -174.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.1 ptp -64.19 -30.22 71.29 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.925 -0.485 . . . . 0.0 111.567 177.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -66.33 -40.85 90.13 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.68 1.192 . . . . 0.0 111.109 175.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -66.5 -42.15 87.82 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.5 -0.75 . . . . 0.0 111.474 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -61.56 -46.6 89.24 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.874 -0.516 . . . . 0.0 110.982 168.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.4 m -60.92 -35.27 76.27 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -66.3 -35.92 81.63 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.468 1.031 . . . . 0.0 112.561 173.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -71.9 -38.66 69.92 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.458 0.703 . . . . 0.0 112.086 174.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.63 -43.32 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.692 0.797 . . . . 0.0 110.736 171.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.03 -35.69 81.25 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.338 0.972 . . . . 0.0 112.599 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -64.66 -45.62 85.97 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.173 1.389 . . . . 0.0 111.459 174.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tt -60.71 -52.6 64.41 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.958 1.703 . . . . 0.0 112.221 172.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.83 -48.41 72.87 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.76 1.624 . . . . 0.0 110.081 -178.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.6 m -63.92 -31.34 72.48 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.508 0.723 . . . . 0.0 112.505 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.9 t -72.86 -40.84 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.111 -0.993 . . . . 0.0 111.75 173.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.2 mt -63.56 -36.95 85.5 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.561 1.073 . . . . 0.0 111.485 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 22.1 mmt -61.23 -26.22 67.6 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.018 1.327 . . . . 0.0 112.969 171.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -67.48 -39.93 85.27 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 120.129 1.331 . . . . 0.0 110.834 171.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.5 mm -64.45 -40.99 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 121.003 -1.06 . . . . 0.0 109.904 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -60.49 -36.44 78.31 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.223 1.009 . . . . 0.0 112.524 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -69.52 -51.6 34.18 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.406 1.083 . . . . 0.0 112.023 169.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 55.9 mt -54.32 -47.35 69.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.139 1.376 . . . . 0.0 111.679 -177.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -95.88 8.68 42.94 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -177.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 67.28 20.26 71.18 Favored Glycine 0 N--CA 1.471 1.018 0 O-C-N 121.076 -1.015 . . . . 0.0 115.154 174.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.7 137.4 48.63 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.461 1.029 . . . . 0.0 112.349 -174.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -60.27 160.55 8.29 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.251 1.021 . . . . 0.0 113.081 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.4 p -60.17 -34.03 73.02 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.471 -1.393 . . . . 0.0 114.133 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.1 m -68.42 -34.73 76.51 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.089 -1.007 . . . . 0.0 110.891 171.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.3 m -64.98 -31.94 73.43 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.759 -1.213 . . . . 0.0 111.358 171.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.97 -35.77 77.11 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.224 -0.923 . . . . 0.0 111.98 170.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -65.54 -38.97 91.17 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.698 -1.251 . . . . 0.0 112.611 169.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -57.37 -30.69 65.09 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.742 -1.224 . . . . 0.0 112.729 168.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.3 mmt -73.72 -39.56 64.2 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.619 1.1 . . . . 0.0 112.805 170.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -54.02 -44.82 71.29 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 119.386 0.994 . . . . 0.0 111.111 170.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.5 t -64.14 -39.22 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.256 1.422 . . . . 0.0 112.467 174.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.56 -39.03 88.3 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.942 -1.099 . . . . 0.0 110.182 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.8 -49.69 56.48 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.698 0.799 . . . . 0.0 112.694 177.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -64.7 -39.14 93.14 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.889 0.876 . . . . 0.0 112.265 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.3 p -73.0 -36.44 67.03 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 176.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 1.662 ' HD1' ' CD2' ' A' ' 47' ' ' PHE . 86.5 t80 -54.04 -50.27 67.06 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.338 0.972 . . . . 0.0 111.632 176.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . 0.266 0.5 OUTLIER -71.71 -35.6 70.28 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -178.079 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.33 98.3 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.59 0.632 . . . . 0.0 112.118 177.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.07 -36.68 77.91 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.615 0.766 . . . . 0.0 111.606 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.9 tp -72.74 -32.16 65.47 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.165 0.986 . . . . 0.0 112.63 176.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -63.25 -30.54 71.66 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.714 1.206 . . . . 0.0 111.819 174.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -71.47 -32.93 68.84 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 120.817 -1.177 . . . . 0.0 113.297 168.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -81.33 -4.25 55.09 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.319 1.448 . . . . 0.0 114.437 174.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.6 p -66.62 22.48 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 117.333 2.346 . . . . 0.0 117.333 -173.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.2 m -60.4 -8.11 2.48 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.036 1.334 . . . . 0.0 114.123 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.0 p -134.7 150.66 50.63 Favored 'General case' 0 C--O 1.238 0.484 0 O-C-N 121.488 -0.757 . . . . 0.0 111.246 143.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -57.61 -37.09 72.68 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.143 0.977 . . . . 0.0 110.722 169.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -65.38 -28.01 68.97 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -80.12 -38.92 30.55 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 120.296 1.407 . . . . 0.0 112.706 170.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -60.56 -50.89 71.73 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.036 0.834 . . . . 0.0 110.204 174.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -65.58 -41.92 92.33 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.251 -0.88 . . . . 0.0 112.963 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -63.11 -47.03 84.58 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.279 0.945 . . . . 0.0 111.806 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.6 m -70.87 -39.06 73.07 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.503 0.592 . . . . 0.0 111.153 -176.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 63.2 tpp -56.7 -52.58 64.38 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.284 0.633 . . . . 0.0 110.697 172.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -61.82 -43.65 98.42 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.083 0.553 . . . . 0.0 111.305 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.3 m -71.92 -33.92 68.66 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 121.313 -0.867 . . . . 0.0 113.282 -174.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.93 -38.27 61.81 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 118.785 0.72 . . . . 0.0 111.967 172.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 59.0 mt -58.78 -47.33 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 118.736 0.698 . . . . 0.0 110.32 170.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -66.93 -34.68 78.3 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.543 1.065 . . . . 0.0 112.793 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.59 -40.23 96.23 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.097 0.862 . . . . 0.0 112.004 171.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.8 mmt -72.77 -38.77 67.19 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 120.944 -1.098 . . . . 0.0 112.337 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.0 mtt-85 -57.74 -44.68 86.24 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.477 1.111 . . . . 0.0 111.412 169.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.1 m -72.59 -22.22 61.01 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.3 1.04 . . . . 0.0 113.12 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.4 m -68.24 -43.3 78.22 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.391 168.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.5 mtm180 -52.98 -39.54 63.11 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 120.476 1.489 . . . . 0.0 112.97 173.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.44 -35.68 75.91 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.763 1.225 . . . . 0.0 111.361 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.6 tttm -78.27 -46.75 19.44 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 174.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.2 mmt85 -53.88 -23.14 11.63 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.138 0.975 . . . . 0.0 112.352 171.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -73.11 -40.78 64.68 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.219 0.918 . . . . 0.0 111.559 174.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.27 -24.62 24.29 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.187 1.395 . . . . 0.0 114.494 -178.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.81 -34.3 77.84 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.524 0.729 . . . . 0.0 110.597 162.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 177.881 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.548 0.895 0 CA-C-O 119.772 -0.156 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.13 145.82 97.6 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.078 2.519 . . . . 0.0 113.897 -172.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.5 ttt -61.5 -30.45 70.63 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 122.896 0.479 . . . . 0.0 111.067 170.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -59.91 -44.51 94.25 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.576 -0.703 . . . . 0.0 111.921 173.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -70.34 -40.06 74.34 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.383 -0.823 . . . . 0.0 111.86 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -61.81 -51.05 69.84 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.22 1.008 . . . . 0.0 111.807 173.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.3 m -62.66 -30.2 71.2 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.837 0.855 . . . . 0.0 112.58 175.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -69.8 -39.79 76.37 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.144 0.884 . . . . 0.0 112.15 170.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -31.59 70.77 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.619 1.1 . . . . 0.0 111.336 175.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.2 t -64.75 -42.42 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-O 117.578 -1.201 . . . . 0.0 111.007 167.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.86 -36.05 78.17 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 121.247 1.84 . . . . 0.0 113.232 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -62.82 -38.53 91.07 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.93 1.292 . . . . 0.0 112.73 173.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tt -73.88 -44.79 54.24 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.106 1.763 . . . . 0.0 111.981 173.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.24 -46.87 79.4 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 126.622 1.969 . . . . 0.0 109.712 -178.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.2 m -63.11 -32.63 74.05 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.999 0.92 . . . . 0.0 112.683 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 36.0 t -74.08 -43.07 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.706 0.802 . . . . 0.0 111.565 174.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.4 mt -66.89 -35.68 80.56 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.432 1.015 . . . . 0.0 112.174 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.2 mmt -62.43 -32.94 73.88 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.947 0.899 . . . . 0.0 112.117 169.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -37.56 87.83 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.913 0.779 . . . . 0.0 111.87 173.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.5 mm -57.8 -46.31 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 173.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -70.23 -36.23 74.37 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -175.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -73.82 -28.11 61.45 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.571 1.548 . . . . 0.0 113.883 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.2 mt -75.68 -47.92 31.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.738 0.815 . . . . 0.0 110.323 171.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -75.93 -13.96 60.25 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.151 1.38 . . . . 0.0 114.123 -174.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.32 28.5 73.64 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 120.879 -1.138 . . . . 0.0 113.21 -172.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.6 142.55 46.98 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 117.952 0.876 . . . . 0.0 111.631 178.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -57.13 162.27 2.68 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.877 1.671 . . . . 0.0 113.841 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 97.1 p -51.55 -36.09 43.64 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.557 1.143 . . . . 0.0 112.549 169.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.5 m -62.55 -38.94 91.99 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.356 1.062 . . . . 0.0 111.477 174.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 m -72.53 -37.79 68.21 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.985 1.314 . . . . 0.0 112.342 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.7 87.65 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 118.949 0.795 . . . . 0.0 111.349 171.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -63.37 -35.81 81.63 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.314 -0.866 . . . . 0.0 113.046 170.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -65.43 -35.16 80.09 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.676 1.125 . . . . 0.0 113.582 167.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.5 mmt -63.24 -40.3 97.05 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 120.395 1.452 . . . . 0.0 111.4 173.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -58.93 -46.95 86.72 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.084 0.554 . . . . 0.0 111.992 170.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.95 -39.45 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 123.917 0.887 . . . . 0.0 112.178 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.37 -36.66 81.8 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.552 1.141 . . . . 0.0 110.28 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.23 -45.62 54.98 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.462 0.705 . . . . 0.0 112.857 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -67.4 -28.13 67.66 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.068 1.347 . . . . 0.0 112.303 173.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.6 t -66.68 -39.18 88.03 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 123.365 0.666 . . . . 0.0 111.136 166.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 1.657 ' HD1' ' CD2' ' A' ' 47' ' ' PHE . 9.5 t80 -63.11 -39.98 96.29 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.922 1.237 . . . . 0.0 113.816 -175.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -66.3 -40.75 90.2 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.597 1.089 . . . . 0.0 112.577 172.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.0 -40.06 78.96 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.413 -0.805 . . . . 0.0 112.391 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.13 -33.86 77.03 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 125.398 1.479 . . . . 0.0 111.783 175.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 tp -78.83 -37.58 40.2 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 118.949 -0.548 . . . . 0.0 111.631 174.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -55.72 -31.91 62.9 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.996 1.318 . . . . 0.0 112.444 171.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -68.83 -24.87 64.42 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 124.784 1.234 . . . . 0.0 113.471 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -119.46 10.27 11.81 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 126.357 1.863 . . . . 0.0 115.853 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.3 t -59.78 26.61 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 130.809 3.644 . . . . 0.0 118.015 -173.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 80.4 p -57.66 -1.07 0.08 Allowed 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 117.319 2.34 . . . . 0.0 117.319 -169.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 t -160.37 151.57 19.23 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.888 1.675 . . . . 0.0 110.803 161.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -61.64 -41.31 97.32 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 121.234 -0.916 . . . . 0.0 112.299 178.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -55.58 -43.46 76.0 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.002 0.365 . . . . 0.0 111.189 176.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -67.68 -40.91 84.37 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -60.1 -51.0 71.5 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 121.428 0.632 . . . . 0.0 110.019 174.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -65.8 -41.58 91.74 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 120.762 -1.211 . . . . 0.0 112.894 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -74.28 -38.15 63.5 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.346 1.058 . . . . 0.0 112.844 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.5 m -68.92 -42.42 76.81 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.022 0.828 . . . . 0.0 111.395 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.7 ttt -64.84 -39.93 94.36 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.698 0.681 . . . . 0.0 111.368 177.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.8 tmtp? -65.21 -39.24 92.52 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.304 0.642 . . . . 0.0 112.003 172.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.2 t -58.99 -45.76 89.83 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.54 1.136 . . . . 0.0 111.894 175.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -75.51 -36.69 60.48 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 117.775 -1.107 . . . . 0.0 113.501 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.06 -41.93 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 120.378 1.444 . . . . 0.0 110.426 171.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -61.73 -36.04 79.82 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.827 1.251 . . . . 0.0 112.79 175.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.33 -41.72 63.14 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.488 0.715 . . . . 0.0 112.287 172.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.2 mtt -67.93 -29.51 68.6 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.732 -1.23 . . . . 0.0 112.046 177.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -61.08 -39.83 91.38 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.236 1.014 . . . . 0.0 111.093 165.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.3 m -63.88 -42.33 97.52 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.25 0.932 . . . . 0.0 111.663 171.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.4 m -62.51 -47.95 81.67 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.827 0.851 . . . . 0.0 111.33 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -50.23 -48.65 54.4 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.794 2.038 . . . . 0.0 111.786 169.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -64.74 -37.21 86.83 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.627 0.771 . . . . 0.0 109.73 -175.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -67.86 -45.42 74.63 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.15 1.38 . . . . 0.0 113.242 174.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -54.23 -28.67 42.72 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 118.556 -0.735 . . . . 0.0 111.702 169.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -76.07 -38.51 56.96 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 119.95 1.25 . . . . 0.0 111.069 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -65.39 -27.46 68.57 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.804 1.642 . . . . 0.0 112.962 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -85.89 -18.4 32.87 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.271 1.428 . . . . 0.0 113.393 170.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.48 1.058 0 C-N-CA 123.773 0.829 . . . . 0.0 112.797 178.87 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.552 1.027 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -68.46 141.7 51.78 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.213 2.609 . . . . 0.0 114.535 -177.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -59.09 -29.23 67.2 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.009 0.924 . . . . 0.0 112.745 173.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -64.79 -38.68 91.82 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.588 -0.695 . . . . 0.0 111.693 175.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -70.4 -37.14 74.44 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.94 -0.475 . . . . 0.0 110.776 175.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.9 mtm-85 -57.96 -46.74 84.63 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.596 -0.69 . . . . 0.0 110.96 170.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.0 m -64.72 -34.4 78.23 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.045 0.938 . . . . 0.0 112.812 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -63.46 -35.82 81.7 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.209 1.368 . . . . 0.0 112.45 170.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -70.26 -42.56 71.99 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.568 0.747 . . . . 0.0 111.169 172.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.45 -42.13 94.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 124.51 1.124 . . . . 0.0 110.971 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.31 -34.35 72.22 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.244 1.018 . . . . 0.0 112.912 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -72.94 -36.7 67.25 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.078 1.351 . . . . 0.0 112.158 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 tt -66.12 -48.02 72.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.304 1.842 . . . . 0.0 112.001 167.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.58 -46.21 87.41 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.502 1.521 . . . . 0.0 110.398 -177.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 84.8 m -61.25 -30.37 70.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.16 1.384 . . . . 0.0 112.911 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.4 t -75.18 -44.27 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 O-C-N 120.534 -1.354 . . . . 0.0 112.019 171.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.3 mt -64.0 -36.32 83.6 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.699 1.136 . . . . 0.0 111.992 176.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 20.3 mmt -61.81 -28.83 69.75 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.613 1.565 . . . . 0.0 113.006 170.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -35.09 66.02 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.656 0.782 . . . . 0.0 111.897 173.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.8 mm -61.85 -40.76 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 O-C-N 121.126 -0.984 . . . . 0.0 109.457 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -61.21 -29.81 70.05 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.507 0.723 . . . . 0.0 112.217 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -76.58 -51.89 10.78 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.512 1.125 . . . . 0.0 112.308 168.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.4 mt -57.02 -41.2 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.53 1.132 . . . . 0.0 112.584 -174.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -92.18 -4.75 53.74 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.139 1.376 . . . . 0.0 114.691 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.5 35.06 80.62 Favored Glycine 0 N--CA 1.476 1.35 0 CA-C-N 119.421 1.009 . . . . 0.0 115.179 -177.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.57 162.9 47.13 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-O 123.502 1.612 . . . . 0.0 114.762 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.71 165.87 12.74 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.812 2.445 . . . . 0.0 114.013 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.3 t -59.62 -35.47 74.44 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.941 1.696 . . . . 0.0 113.868 173.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.7 p -64.91 -44.41 89.66 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 120.828 -1.17 . . . . 0.0 111.966 175.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.5 m -64.76 -32.87 74.75 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.65 1.18 . . . . 0.0 111.834 173.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.9 -37.28 72.98 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.32 1.048 . . . . 0.0 113.263 172.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -59.47 -34.33 72.43 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.595 -1.315 . . . . 0.0 112.504 169.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -75.22 -27.43 59.55 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.547 1.539 . . . . 0.0 113.482 171.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.4 mmt -68.47 -40.52 80.98 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.561 1.073 . . . . 0.0 112.401 166.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -54.34 -42.56 70.35 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.672 0.789 . . . . 0.0 112.01 170.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.0 t -65.06 -35.56 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.001 0.92 . . . . 0.0 112.801 174.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -64.86 -45.69 85.02 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.145 1.339 . . . . 0.0 109.808 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.82 86.92 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.08 -47.01 84.73 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.155 0.982 . . . . 0.0 112.561 175.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -66.99 -27.26 67.29 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 118.412 -0.804 . . . . 0.0 112.997 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 1.663 ' HD1' ' CD2' ' A' ' 47' ' ' PHE . 18.1 t80 -69.37 -48.9 59.83 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.338 -0.839 . . . . 0.0 112.984 173.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . 0.296 0.7 OUTLIER -65.25 -29.35 70.12 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 120.725 1.602 . . . . 0.0 112.668 174.477 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.69 -27.89 64.35 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 173.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.2 -45.37 40.92 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.148 0.885 . . . . 0.0 111.603 171.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.3 tp -71.17 -32.34 68.77 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.147 0.979 . . . . 0.0 112.01 -175.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -56.5 -37.75 70.83 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.862 0.865 . . . . 0.0 112.965 176.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -71.42 -12.91 61.65 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -119.79 10.34 11.6 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 127.221 2.208 . . . . 0.0 114.264 173.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.1 t -67.34 23.55 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 129.139 2.976 . . . . 0.0 116.005 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 m -65.07 -8.0 14.56 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.735 1.614 . . . . 0.0 114.276 -166.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.7 t -137.63 143.86 41.64 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 125.586 1.554 . . . . 0.0 110.278 158.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.5 tttm -58.23 -39.07 78.13 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.563 0.745 . . . . 0.0 111.374 170.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -59.23 -45.82 90.13 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 118.437 0.562 . . . . 0.0 111.441 177.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -69.14 -40.87 77.97 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.529 0.731 . . . . 0.0 112.172 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 1.596 ' HD1' ' CD2' ' A' ' 61' ' ' TYR . 49.8 t80 -58.43 -52.29 66.24 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.744 0.702 . . . . 0.0 110.451 173.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -69.98 -36.45 75.19 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.321 -0.862 . . . . 0.0 112.394 -177.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -67.07 -35.6 80.18 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.338 0.972 . . . . 0.0 111.794 174.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.8 m -76.3 -37.62 57.22 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.513 0.597 . . . . 0.0 112.098 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 94.3 mmm -59.17 -49.05 79.33 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.557 -0.715 . . . . 0.0 110.119 169.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -56.04 -43.51 77.9 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.75 0.82 . . . . 0.0 111.316 172.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.2 t -56.77 -45.28 82.21 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.676 1.191 . . . . 0.0 113.393 176.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -73.97 -38.53 64.16 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.466 -0.772 . . . . 0.0 112.074 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.29 -43.04 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.78 0.832 . . . . 0.0 110.826 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.58 -32.82 66.3 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.932 1.242 . . . . 0.0 112.816 -178.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.16 -46.91 86.86 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.889 -0.507 . . . . 0.0 111.068 167.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 17.8 mmt -68.1 -32.53 72.9 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 175.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.4 ttm-85 -66.21 -39.25 89.48 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.375 1.47 . . . . 0.0 111.257 173.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.1 m -64.17 -45.54 87.95 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.969 0.908 . . . . 0.0 111.134 171.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.9 m -65.64 -37.72 87.34 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.723 1.209 . . . . 0.0 112.58 177.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -58.68 -38.85 79.11 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.372 1.869 . . . . 0.0 111.833 174.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.14 -33.17 61.51 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.686 0.794 . . . . 0.0 111.604 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -63.24 -50.35 70.55 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.377 -0.827 . . . . 0.0 111.464 172.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -56.3 -24.47 43.46 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.936 1.294 . . . . 0.0 112.571 168.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -78.58 -46.65 18.89 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.929 1.24 . . . . 0.0 111.58 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -79.46 -20.32 47.69 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.11 1.364 . . . . 0.0 114.308 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -87.17 -1.36 57.84 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.374 1.47 . . . . 0.0 112.833 164.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 N--CA 1.477 0.881 0 O-C-N 121.177 -0.952 . . . . 0.0 111.555 166.271 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.804 0 CA-C-O 119.42 -0.324 . . . . 0.0 111.53 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -53.73 131.51 44.44 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.273 2.649 . . . . 0.0 113.743 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.8 ptp -66.53 -27.1 67.49 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.776 -0.578 . . . . 0.0 112.11 176.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -63.45 -40.77 98.01 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.702 -0.624 . . . . 0.0 112.117 169.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.0 tp-100 -67.7 -40.16 84.35 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.348 -0.845 . . . . 0.0 111.218 177.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 mtm-85 -59.04 -51.32 70.55 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 118.93 0.786 . . . . 0.0 110.494 172.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.2 m -59.48 -31.19 69.12 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -74.72 -34.18 62.54 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.271 1.028 . . . . 0.0 113.242 174.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -70.02 -44.04 70.1 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.36 -0.838 . . . . 0.0 111.188 172.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.0 t -58.0 -37.43 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.573 1.549 . . . . 0.0 110.958 170.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.61 -25.28 64.78 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 119.995 1.271 . . . . 0.0 113.322 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -71.04 -45.14 64.4 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.128 -0.982 . . . . 0.0 110.084 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 tt -57.03 -46.37 82.43 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.863 1.265 . . . . 0.0 111.76 168.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -43.26 91.59 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.27 1.428 . . . . 0.0 111.558 177.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.7 m -63.74 -30.04 71.19 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.678 1.191 . . . . 0.0 112.475 177.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.3 t -75.18 -41.8 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.231 1.013 . . . . 0.0 112.261 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.38 -35.09 77.18 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.828 1.195 . . . . 0.0 112.759 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 10.2 mmt -53.44 -39.98 64.84 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.057 1.743 . . . . 0.0 111.253 165.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -39.17 89.38 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.827 0.451 . . . . 0.0 111.718 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mm -64.19 -40.35 88.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 118.794 0.725 . . . . 0.0 109.898 174.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -64.18 -42.49 96.67 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 122.932 0.493 . . . . 0.0 111.059 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -69.07 -40.72 78.3 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.231 -0.918 . . . . 0.0 112.76 172.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.3 mt -59.73 -41.26 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.923 0.889 . . . . 0.0 111.61 176.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -78.78 -26.36 44.46 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 173.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.55 43.74 35.66 Favored Glycine 0 N--CA 1.47 0.924 0 CA-C-N 119.256 0.935 . . . . 0.0 112.562 -164.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.49 146.4 49.71 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.999 1.285 . . . . 0.0 113.642 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.13 156.2 32.41 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.628 1.971 . . . . 0.0 112.66 174.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.6 t -64.6 -20.35 66.21 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.681 -1.262 . . . . 0.0 113.55 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.2 p -68.52 -41.39 80.01 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 120.559 -1.338 . . . . 0.0 111.92 167.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.4 m -67.58 -38.78 84.55 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.261 1.424 . . . . 0.0 111.024 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.36 -44.64 92.67 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.565 0.746 . . . . 0.0 111.487 170.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -63.73 -33.66 76.14 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.918 -1.114 . . . . 0.0 113.565 174.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -77.72 -29.73 51.4 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -29.53 57.74 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.612 1.551 . . . . 0.0 112.351 171.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -56.35 -42.47 77.8 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 120.941 -1.1 . . . . 0.0 112.125 166.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.2 t -65.62 -29.7 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 125.215 1.406 . . . . 0.0 113.098 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -71.27 -39.86 71.3 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.895 1.278 . . . . 0.0 110.392 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.0 83.73 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.08 0.552 . . . . 0.0 111.982 171.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -60.57 -36.68 79.11 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.811 0.844 . . . . 0.0 112.921 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 t -68.27 -39.11 82.29 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.524 0.73 . . . . 0.0 112.063 174.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 1.663 ' HE1' ' CE2' ' A' ' 47' ' ' PHE . 39.7 t80 -64.64 -45.48 86.63 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.046 0.839 . . . . 0.0 112.057 173.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.74 -56.26 21.2 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 126.219 1.807 . . . . 0.0 111.73 178.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.96 -31.69 72.97 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.372 1.469 . . . . 0.0 113.556 -177.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.62 -36.92 60.11 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.012 0.525 . . . . 0.0 111.323 175.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.3 tp -76.12 -37.99 57.39 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.517 0.727 . . . . 0.0 112.347 178.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -58.76 -24.53 61.81 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.935 1.294 . . . . 0.0 112.435 171.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -69.95 -21.7 63.24 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.086 -1.634 . . . . 0.0 114.485 172.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.97 11.69 11.82 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 116.098 1.888 . . . . 0.0 116.098 176.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.4 p -69.3 19.26 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 118.088 2.625 . . . . 0.0 118.088 -174.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.4 p -64.46 -6.95 8.31 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 -167.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.4 m -128.63 136.44 50.68 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.053 0.941 . . . . 0.0 109.493 152.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.3 tttm -57.24 -36.12 70.55 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.944 1.298 . . . . 0.0 111.67 176.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.56 -39.13 72.94 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.584 0.753 . . . . 0.0 112.73 175.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -77.69 -39.92 43.2 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.475 1.034 . . . . 0.0 112.165 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 1.664 ' HE2' ' CE1' ' A' ' 61' ' ' TYR . 59.7 t80 -58.24 -47.51 83.32 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.538 0.608 . . . . 0.0 110.45 171.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -63.26 -48.97 75.96 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.533 -0.729 . . . . 0.0 111.659 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -61.43 -38.64 87.88 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.681 1.128 . . . . 0.0 113.133 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.2 m -73.66 -40.74 63.48 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.71 -0.619 . . . . 0.0 111.13 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.2 mmt -56.43 -50.01 72.89 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 119.014 -0.517 . . . . 0.0 110.697 168.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -48.03 78.43 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.304 1.041 . . . . 0.0 111.266 177.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.3 m -60.37 -45.75 92.42 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.692 1.197 . . . . 0.0 112.696 -178.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -75.25 -36.51 61.25 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.504 0.722 . . . . 0.0 112.714 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.4 mt -59.61 -44.93 94.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 119.008 0.822 . . . . 0.0 109.935 170.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.59 -37.61 88.15 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.795 1.179 . . . . 0.0 113.166 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.53 91.33 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.694 -0.629 . . . . 0.0 111.757 170.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.6 mmt -75.09 -36.39 61.73 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 120.816 -1.177 . . . . 0.0 113.343 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -57.04 -48.66 77.98 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.703 1.201 . . . . 0.0 110.341 167.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.6 m -60.46 -35.44 75.88 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.597 0.759 . . . . 0.0 111.829 173.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.4 m -68.52 -32.09 71.79 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 117.362 -1.304 . . . . 0.0 112.349 176.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -49.96 -47.33 52.66 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 121.246 1.839 . . . . 0.0 111.909 171.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.18 -41.65 76.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 113.879 -1.51 . . . . 0.0 110.807 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -63.86 -51.62 63.8 Favored 'General case' 0 CA--C 1.511 -0.531 0 O-C-N 121.823 -0.548 . . . . 0.0 112.063 175.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 50.5 mmt-85 -60.14 -20.38 58.17 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.101 0.96 . . . . 0.0 112.233 173.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -80.03 -43.79 21.27 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 119.635 1.107 . . . . 0.0 111.396 174.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -71.05 -27.77 63.89 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.888 1.275 . . . . 0.0 113.058 176.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.9 -18.31 62.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.676 1.991 . . . . 0.0 113.229 164.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 71.4 m . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -178.818 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.4 ttm . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 110.831 -0.063 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.7 p -62.73 -11.43 17.47 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -177.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 p -56.12 -46.39 79.18 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 120.613 -1.304 . . . . 0.0 112.346 170.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 tmmt? -57.97 -23.59 54.46 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.974 1.31 . . . . 0.0 112.842 174.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -92.67 -8.26 44.54 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.74 1.216 . . . . 0.0 112.86 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.95 -3.36 2.02 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 -168.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -52.54 124.71 34.3 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 126.149 1.78 . . . . 0.0 112.197 -172.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -61.96 138.53 74.0 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.428 2.752 . . . . 0.0 114.001 -175.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 53.7 ttm -62.11 -32.68 73.28 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.171 -0.956 . . . . 0.0 111.825 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.4 p80 -60.81 -34.87 75.2 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 120.145 1.339 . . . . 0.0 112.807 174.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -71.28 -43.8 66.46 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.416 1.086 . . . . 0.0 111.697 173.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -58.68 -50.38 74.1 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.59 -0.694 . . . . 0.0 110.799 174.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.0 m -58.68 -34.76 71.64 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 118.435 -0.793 . . . . 0.0 113.018 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -70.27 -31.78 69.3 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.804 1.184 . . . . 0.0 112.673 176.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -77.57 -45.51 25.08 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.658 1.183 . . . . 0.0 113.122 174.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.3 t -53.14 -35.72 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 126.217 1.807 . . . . 0.0 110.76 168.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.49 -22.64 65.45 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.24 -37.53 60.99 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 120.177 -1.577 . . . . 0.0 112.663 171.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.57 -46.3 90.48 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.77 1.628 . . . . 0.0 111.156 167.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -49.0 64.55 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.983 1.713 . . . . 0.0 111.17 177.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.9 m -61.46 -35.13 76.74 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.583 1.153 . . . . 0.0 113.108 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.1 t -72.51 -37.94 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 119.141 0.882 . . . . 0.0 111.486 174.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.3 mt -68.64 -38.31 80.39 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.565 1.075 . . . . 0.0 111.883 174.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 21.5 mmt -60.38 -33.49 72.54 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.012 1.325 . . . . 0.0 112.452 171.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.36 -32.95 74.85 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.869 1.268 . . . . 0.0 112.17 170.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.8 mm -67.06 -38.96 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 O-C-N 120.43 -1.419 . . . . 0.0 109.76 173.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -66.42 -28.93 69.0 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -69.87 -55.34 10.0 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.059 1.344 . . . . 0.0 111.941 166.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.7 mt -65.02 -37.06 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.978 1.311 . . . . 0.0 112.82 -172.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -88.58 -8.41 54.78 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.188 0.995 . . . . 0.0 113.442 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 60.64 51.7 57.06 Favored Glycine 0 C--N 1.339 0.728 0 C-N-CA 125.34 1.448 . . . . 0.0 114.842 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.77 -170.06 45.17 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-O 122.752 1.196 . . . . 0.0 114.703 172.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -107.2 164.19 12.38 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.785 2.434 . . . . 0.0 114.007 -171.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.3 t -51.32 -39.27 56.58 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.074 1.75 . . . . 0.0 114.17 171.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.3 p -71.57 -31.53 67.07 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.385 1.074 . . . . 0.0 112.478 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.1 m -71.89 -31.35 66.33 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.084 0.954 . . . . 0.0 110.914 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.17 -32.74 73.21 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.281 1.032 . . . . 0.0 112.339 167.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -64.44 -40.53 95.92 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.536 -1.352 . . . . 0.0 112.341 166.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -59.05 -36.7 75.48 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.532 1.06 . . . . 0.0 112.891 168.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.1 mmt -61.45 -41.74 97.68 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 120.163 1.347 . . . . 0.0 112.312 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -59.64 -44.52 93.49 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 121.88 -0.512 . . . . 0.0 111.728 173.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.8 t -63.26 -36.02 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.504 1.122 . . . . 0.0 112.158 176.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -68.6 -43.73 75.81 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 124.459 1.104 . . . . 0.0 109.789 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.68 -47.89 83.29 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -70.48 -23.98 62.78 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.3 t -76.21 -41.73 48.44 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.969 0.804 . . . . 0.0 111.633 167.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 1.652 ' HD1' ' CD2' ' A' ' 47' ' ' PHE . 80.9 t80 -59.45 -45.56 91.26 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.616 0.766 . . . . 0.0 112.046 174.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -53.23 -55.4 24.73 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.221 1.809 . . . . 0.0 111.311 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.4 -33.95 76.67 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.377 1.471 . . . . 0.0 112.918 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.74 -26.65 34.35 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.255 1.022 . . . . 0.0 112.465 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.4 tp -74.25 -35.82 63.83 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.95 0.9 . . . . 0.0 111.091 168.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 1.609 ' HD2' ' CD1' ' A' ' 52' ' ' PHE . 10.9 t80 -59.38 -30.05 68.14 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.66 0.784 . . . . 0.0 112.42 174.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.55 -25.7 68.36 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 120.579 -1.326 . . . . 0.0 114.083 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.262 53.6 pttt -118.2 11.32 13.17 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 127.252 2.221 . . . . 0.0 115.059 -175.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 94.7 p -53.03 18.22 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 131.627 3.971 . . . . 0.0 120.41 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 57.9 m -61.37 -5.19 1.54 Allowed 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 117.929 2.566 . . . . 0.0 117.929 -160.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 t -145.72 151.48 38.07 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.454 1.501 . . . . 0.0 109.342 157.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -57.57 -38.56 75.02 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.568 -0.708 . . . . 0.0 111.291 170.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -69.79 -24.28 63.47 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 176.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -79.99 -39.23 30.47 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.618 -1.301 . . . . 0.0 111.594 173.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -60.27 -51.33 70.01 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.751 0.705 . . . . 0.0 110.389 169.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -63.62 -45.35 90.71 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.784 0.834 . . . . 0.0 112.888 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -72.07 -36.94 69.7 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.788 1.176 . . . . 0.0 112.305 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.2 m -66.45 -37.73 85.79 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.234 0.924 . . . . 0.0 111.931 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 62.3 tpp -60.7 -48.19 82.9 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.457 0.703 . . . . 0.0 110.881 171.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.49 -44.57 85.03 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.25 1.02 . . . . 0.0 111.294 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.7 m -72.09 -26.03 61.99 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.443 1.097 . . . . 0.0 113.746 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -73.88 -41.25 62.45 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.831 0.852 . . . . 0.0 111.16 170.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.2 mt -59.03 -43.98 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 124.208 1.003 . . . . 0.0 110.125 170.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -60.59 -39.92 89.85 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.182 1.393 . . . . 0.0 113.628 174.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.61 81.81 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.626 -0.671 . . . . 0.0 112.216 175.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.7 mmt -75.39 -38.12 60.12 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.352 -0.843 . . . . 0.0 112.427 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.6 -52.17 60.69 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.862 1.665 . . . . 0.0 110.044 167.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.8 m -62.51 -33.48 74.98 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.008 0.523 . . . . 0.0 111.389 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.9 m -68.94 -33.43 73.71 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 117.325 -1.322 . . . . 0.0 112.683 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -51.81 -45.82 64.02 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 121.598 1.999 . . . . 0.0 111.644 169.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -68.17 -37.65 81.2 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 114.522 -1.217 . . . . 0.0 111.642 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -65.29 -50.91 63.89 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.049 1.34 . . . . 0.0 112.772 176.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.3 mmt-85 -59.17 -20.39 53.39 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.307 172.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -79.25 -38.39 35.67 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.117 0.871 . . . . 0.0 112.049 173.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -64.43 -43.2 95.07 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.276 -0.89 . . . . 0.0 111.159 173.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -69.37 -18.56 63.8 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.363 1.465 . . . . 0.0 114.445 174.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.4 t -102.78 -38.92 7.22 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.267 0.94 . . . . 0.0 113.377 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.2 m -138.21 -5.62 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -172.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 73.66 24.31 74.86 Favored Glycine 0 CA--C 1.539 1.554 0 O-C-N 120.867 -1.145 . . . . 0.0 115.166 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 71.4 m . . . . . 0 C--O 1.25 1.123 0 C-N-CA 125.783 1.633 . . . . 0.0 112.2 -179.895 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -69.12 -12.19 61.46 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -176.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m -49.76 -32.01 12.82 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 127.332 2.253 . . . . 0.0 115.103 172.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -50.17 -35.83 27.79 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.641 1.176 . . . . 0.0 112.682 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -77.59 -12.39 59.96 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -176.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.7 m -90.52 -14.97 31.57 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.007 -1.058 . . . . 0.0 112.487 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -61.17 114.59 11.09 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 125.636 1.575 . . . . 0.0 110.489 -173.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_exo -60.97 139.9 87.26 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.151 1.901 . . . . 0.0 113.081 -171.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 51.3 ttm -61.6 -31.08 71.13 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.157 0.583 . . . . 0.0 112.144 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -60.75 -44.76 96.31 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 169.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -69.93 -40.13 75.7 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.868 0.758 . . . . 0.0 112.105 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -55.45 -54.9 38.03 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 122.887 0.475 . . . . 0.0 111.236 170.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.0 m -58.24 -38.13 76.25 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.901 0.481 . . . . 0.0 112.188 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -67.76 -27.99 67.24 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.359 1.464 . . . . 0.0 113.57 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -77.66 -46.8 20.91 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.835 1.254 . . . . 0.0 112.552 169.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.4 t -56.51 -41.87 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.679 1.192 . . . . 0.0 110.313 173.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.4 72.61 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 119.375 0.989 . . . . 0.0 112.996 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -70.09 -36.4 74.87 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.729 1.212 . . . . 0.0 111.418 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tt -69.25 -47.93 63.28 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.713 2.005 . . . . 0.0 112.335 168.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -44.4 95.43 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.692 1.197 . . . . 0.0 110.405 -174.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.9 m -57.81 -37.05 73.08 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.855 0.862 . . . . 0.0 111.6 175.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -72.41 -41.97 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.8 0.84 . . . . 0.0 111.786 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.5 mt -66.61 -36.63 83.05 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.63 1.104 . . . . 0.0 111.944 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.4 mmt -61.18 -36.12 79.0 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.92 1.288 . . . . 0.0 111.671 170.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -37.23 85.89 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.53 0.732 . . . . 0.0 111.869 171.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 mm -65.7 -43.58 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 121.049 -1.032 . . . . 0.0 109.331 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -65.71 -41.29 92.47 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 122.952 0.501 . . . . 0.0 112.146 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -63.87 -50.79 67.44 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.204 1.002 . . . . 0.0 112.156 173.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 91.2 mt -70.6 -44.12 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.753 0.821 . . . . 0.0 111.218 -174.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -78.93 -21.65 46.95 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.204 -0.935 . . . . 0.0 112.773 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.35 51.11 34.03 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 124.41 1.005 . . . . 0.0 113.532 176.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.67 178.35 53.26 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 159.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -83.5 167.95 16.93 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.148 0.979 . . . . 0.0 112.793 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -65.46 -21.69 66.67 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.503 0.721 . . . . 0.0 112.5 172.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.2 p -68.7 -39.87 80.29 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.163 -1.586 . . . . 0.0 111.808 167.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -63.65 -35.31 80.11 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.251 -0.905 . . . . 0.0 111.344 170.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.88 95.56 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.98 0.912 . . . . 0.0 112.672 174.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -62.6 -39.46 93.8 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 121.134 -0.979 . . . . 0.0 111.845 170.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -59.57 -30.25 68.51 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.753 -1.217 . . . . 0.0 113.681 169.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.0 mmt -72.14 -38.03 69.31 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.759 1.163 . . . . 0.0 112.437 171.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.26 -44.34 83.85 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 118.868 0.758 . . . . 0.0 111.709 169.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.34 -41.6 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.271 1.029 . . . . 0.0 111.702 172.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -39.69 86.32 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.118 0.872 . . . . 0.0 110.155 -178.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.14 -48.78 64.45 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.91 0.884 . . . . 0.0 112.772 177.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.78 -34.73 78.84 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.843 0.857 . . . . 0.0 112.392 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.2 t -68.37 -40.64 81.38 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.278 1.031 . . . . 0.0 112.877 171.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -58.12 -44.13 87.58 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.543 0.737 . . . . 0.0 111.975 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.09 -54.35 36.9 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.444 0.64 . . . . 0.0 111.562 172.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.13 -28.47 65.4 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.516 1.126 . . . . 0.0 113.682 -171.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.95 -42.17 27.56 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.328 1.051 . . . . 0.0 111.44 172.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.1 tp -69.89 -31.83 69.85 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.327 -0.858 . . . . 0.0 112.169 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 1.639 ' HE2' ' CE1' ' A' ' 52' ' ' PHE . 13.6 t80 -64.3 -30.62 71.66 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.196 0.999 . . . . 0.0 113.127 178.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -60.15 -38.66 83.82 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.288 1.035 . . . . 0.0 111.308 170.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -94.67 -0.49 54.34 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.309 1.844 . . . . 0.0 113.839 -175.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 t -64.15 20.53 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 129.037 2.935 . . . . 0.0 116.145 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.4 m -62.42 -14.29 38.98 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.03 1.332 . . . . 0.0 113.535 -171.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.8 t -134.82 137.48 43.36 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.67 1.588 . . . . 0.0 107.979 157.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.4 tttm -71.09 -29.91 65.89 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.897 0.879 . . . . 0.0 111.704 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -53.47 -45.14 69.48 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.56 0.744 . . . . 0.0 110.823 170.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -72.81 -41.94 64.38 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.504 0.722 . . . . 0.0 112.629 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 1.654 ' HE2' ' CE1' ' A' ' 61' ' ' TYR . 84.7 t80 -58.25 -53.0 63.21 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.991 0.916 . . . . 0.0 110.992 177.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -64.9 -44.7 88.71 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 122.952 0.501 . . . . 0.0 111.331 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -59.84 -41.37 91.22 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.024 0.929 . . . . 0.0 111.813 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.8 m -72.77 -44.49 61.51 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.37 0.668 . . . . 0.0 111.793 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 38.4 ttm -59.49 -46.65 88.19 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.286 0.494 . . . . 0.0 111.063 174.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -39.36 93.92 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.215 0.461 . . . . 0.0 112.212 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.1 m -71.63 -32.68 68.22 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.286 -0.883 . . . . 0.0 113.333 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -75.49 -38.61 59.41 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 118.81 -0.614 . . . . 0.0 112.384 171.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.4 mt -56.64 -48.3 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 118.944 0.793 . . . . 0.0 110.458 171.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -64.5 -40.45 95.67 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.236 0.925 . . . . 0.0 112.777 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.28 92.09 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.663 -0.648 . . . . 0.0 112.255 176.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.7 mmm -77.06 -32.91 57.15 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.082 -1.011 . . . . 0.0 112.517 177.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -63.82 -37.87 89.0 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.467 1.507 . . . . 0.0 112.13 170.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.1 m -72.35 -26.76 62.04 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.53 0.732 . . . . 0.0 112.826 167.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.9 m -71.93 -29.86 64.73 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 120.749 -1.219 . . . . 0.0 112.765 175.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -49.92 -48.43 51.78 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 120.258 1.39 . . . . 0.0 111.772 170.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -67.2 -33.65 75.82 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 126.184 1.794 . . . . 0.0 111.074 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -65.79 -48.39 71.92 Favored 'General case' 0 CA--C 1.518 -0.283 0 O-C-N 121.177 -0.952 . . . . 0.0 112.046 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 75.3 mmt-85 -60.29 -22.37 63.06 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.527 0.731 . . . . 0.0 112.773 172.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -79.78 -40.83 27.83 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.699 0.799 . . . . 0.0 111.491 173.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -71.67 -33.48 68.89 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.21 1.404 . . . . 0.0 112.585 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -67.7 -28.16 67.43 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.922 1.289 . . . . 0.0 112.405 166.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.5 m -72.36 -38.64 68.49 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 118.55 0.614 . . . . 0.0 111.836 172.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 72.9 t -66.91 -34.52 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.44 1.096 . . . . 0.0 111.418 170.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -83.38 22.33 7.5 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 126.903 2.192 . . . . 0.0 115.272 172.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--O 1.251 1.142 0 CA-C-N 119.646 1.723 . . . . 0.0 112.801 179.306 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.0 p -67.06 3.92 1.01 Allowed 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 p -56.45 -22.15 30.17 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.069 1.747 . . . . 0.0 114.816 169.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -58.29 -17.24 18.12 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 170.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -88.42 -11.05 47.17 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.678 1.591 . . . . 0.0 113.987 176.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -89.04 26.06 1.67 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.279 1.431 . . . . 0.0 112.628 -167.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.62 116.22 47.48 Favored Pre-proline 0 CA--C 1.552 1.022 0 C-N-CA 125.772 1.629 . . . . 0.0 109.837 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -65.97 141.46 64.57 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.408 2.072 . . . . 0.0 113.324 -173.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.4 ptt? -60.34 -30.76 69.73 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.345 -0.847 . . . . 0.0 111.938 171.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -66.7 -33.24 75.19 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.009 0.822 . . . . 0.0 113.14 173.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 73.9 tp60 -69.29 -42.92 74.82 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.337 0.655 . . . . 0.0 110.811 173.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 mtm-85 -59.47 -48.98 79.55 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.256 0.48 . . . . 0.0 110.677 173.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 m -58.01 -33.62 69.14 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 175.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -73.11 -38.08 66.47 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.54 1.136 . . . . 0.0 112.543 176.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -67.02 -43.98 81.45 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.774 0.83 . . . . 0.0 111.009 173.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.41 -40.42 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 124.602 1.161 . . . . 0.0 110.417 170.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.87 85.76 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.719 1.145 . . . . 0.0 113.15 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.11 -47.7 78.99 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.422 1.01 . . . . 0.0 111.513 170.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tt -57.48 -49.93 74.69 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.059 0.944 . . . . 0.0 111.784 176.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -43.83 97.34 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.605 1.562 . . . . 0.0 110.447 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.4 m -64.63 -33.02 74.94 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.17 0.988 . . . . 0.0 112.418 177.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.5 t -74.6 -41.08 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.942 0.897 . . . . 0.0 111.616 172.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.6 mt -65.33 -37.2 86.36 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.911 1.232 . . . . 0.0 112.363 174.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.5 mmt -60.49 -31.67 70.69 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.082 1.353 . . . . 0.0 111.597 168.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.68 -35.19 74.9 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.167 -0.958 . . . . 0.0 112.518 170.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.9 mm -63.76 -42.6 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-N 120.278 1.399 . . . . 0.0 109.459 173.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.54 -43.92 97.99 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.948 0.899 . . . . 0.0 111.667 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -68.22 -29.88 68.82 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.724 1.209 . . . . 0.0 113.954 174.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.6 mt -79.87 -38.03 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.43 1.013 . . . . 0.0 111.374 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -78.54 -21.33 48.94 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 119.256 0.935 . . . . 0.0 113.252 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.25 51.49 9.96 Favored Glycine 0 N--CA 1.469 0.836 0 O-C-N 121.662 -0.649 . . . . 0.0 111.537 -169.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.32 151.36 29.69 Favored Glycine 0 CA--C 1.53 1.002 0 CA-C-O 122.814 1.23 . . . . 0.0 114.6 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.23 158.3 36.12 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.538 1.935 . . . . 0.0 113.705 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.2 t -59.3 -30.24 68.19 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.158 0.983 . . . . 0.0 113.501 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.4 p -76.86 -33.86 57.86 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 121.158 -0.964 . . . . 0.0 112.46 173.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -66.69 -31.32 71.91 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.252 -1.53 . . . . 0.0 111.15 169.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.42 -30.75 69.71 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 121.138 -0.976 . . . . 0.0 112.298 170.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.46 -42.06 92.69 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.941 -1.099 . . . . 0.0 112.535 167.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -60.4 -34.35 73.79 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.556 0.946 . . . . 0.0 113.556 171.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.5 mmt -64.78 -41.15 96.06 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.574 1.079 . . . . 0.0 112.364 174.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -58.31 -43.38 88.1 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.79 0.436 . . . . 0.0 111.164 172.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.38 -41.72 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.187 0.995 . . . . 0.0 112.305 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -65.97 -42.68 89.57 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 119.393 0.997 . . . . 0.0 110.371 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.76 94.6 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.005 0.522 . . . . 0.0 112.359 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -71.2 -37.86 72.09 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.156 0.982 . . . . 0.0 112.142 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 84.1 p -73.64 -35.43 65.28 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.382 0.992 . . . . 0.0 112.913 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -55.11 -52.55 62.9 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.744 0.818 . . . . 0.0 111.86 171.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -40.04 75.87 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.46 -30.9 70.89 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.283 0.947 . . . . 0.0 112.849 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.2 -44.19 22.36 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.101 0.96 . . . . 0.0 111.802 173.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.0 tp -65.38 -29.48 70.2 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 120.651 -1.28 . . . . 0.0 112.275 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 1.623 ' HE2' ' CE1' ' A' ' 52' ' ' PHE . 32.6 t80 -63.24 -32.47 73.88 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.854 1.262 . . . . 0.0 112.484 173.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -72.93 -15.78 61.56 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.627 -1.295 . . . . 0.0 114.235 170.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -97.52 -2.82 41.05 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.16 1.784 . . . . 0.0 114.058 173.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.9 p -66.38 21.1 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 127.879 2.472 . . . . 0.0 116.498 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.8 p -62.05 -15.55 45.5 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 120.551 -1.343 . . . . 0.0 113.162 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.9 m -128.89 142.37 50.98 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.227 2.211 . . . . 0.0 109.716 158.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.6 tttm -63.02 -38.84 92.79 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.794 1.238 . . . . 0.0 111.021 171.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.85 -39.85 86.56 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.343 0.657 . . . . 0.0 112.467 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -72.48 -38.47 68.19 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.082 1.31 . . . . 0.0 112.501 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 1.659 ' HE1' ' CE2' ' A' ' 61' ' ' TYR . 60.9 t80 -60.83 -50.98 71.26 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 117.975 0.352 . . . . 0.0 110.16 171.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.33 -46.95 78.24 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.601 -0.687 . . . . 0.0 112.132 -177.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -69.57 -37.15 76.87 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.781 0.719 . . . . 0.0 111.921 -172.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 m -72.84 -42.05 64.18 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.437 0.695 . . . . 0.0 111.356 176.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -54.33 -52.15 62.45 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.23 1.012 . . . . 0.0 111.244 171.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -66.58 -33.14 75.01 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.9 t -66.62 -45.96 77.41 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.705 0.802 . . . . 0.0 111.601 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -75.58 -32.77 60.48 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 176.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.9 mt -62.86 -45.18 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 119.73 1.15 . . . . 0.0 110.248 169.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.21 -40.03 84.53 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.407 1.003 . . . . 0.0 112.103 172.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.47 -40.34 93.06 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.37 0.986 . . . . 0.0 113.141 177.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.6 mmt -73.72 -39.18 64.5 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 121.282 -0.886 . . . . 0.0 112.407 176.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -67.57 -30.74 70.44 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.262 1.425 . . . . 0.0 111.513 174.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.8 m -69.98 -39.36 75.99 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.772 0.829 . . . . 0.0 111.885 165.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 53.1 m -65.04 -33.53 76.26 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 117.843 -1.075 . . . . 0.0 112.976 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -48.76 -48.36 41.03 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 120.556 1.525 . . . . 0.0 112.896 175.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -69.68 -29.01 66.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.655 -175.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -76.46 -43.4 40.11 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.436 1.094 . . . . 0.0 112.662 173.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -53.99 -23.75 14.37 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.312 1.045 . . . . 0.0 112.989 170.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.65 -22.95 46.09 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 174.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -71.34 -28.64 64.22 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.737 1.615 . . . . 0.0 112.304 173.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.94 -22.97 65.92 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.947 0.899 . . . . 0.0 111.954 169.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.9 m -94.38 -20.09 20.04 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.825 1.25 . . . . 0.0 114.135 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.1 t -141.96 114.51 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.724 1.61 . . . . 0.0 111.16 -171.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -78.21 -8.8 87.37 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 126.182 1.848 . . . . 0.0 116.727 -173.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.6 m . . . . . 0 C--O 1.251 1.141 0 CA-C-N 119.766 1.783 . . . . 0.0 111.869 170.161 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 mmt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 121.055 0.455 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m 66.18 -2.47 0.97 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 117.441 2.386 . . . . 0.0 117.441 165.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.3 p -90.56 -29.36 17.89 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -175.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -14.89 3.83 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 125.473 1.509 . . . . 0.0 114.519 176.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -79.31 -13.11 59.86 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.805 2.042 . . . . 0.0 112.935 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 m -94.29 25.56 3.77 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 128.01 2.524 . . . . 0.0 111.817 -173.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -55.86 129.96 72.2 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 126.025 1.73 . . . . 0.0 111.666 -164.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -62.05 136.61 61.9 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.779 2.986 . . . . 0.0 114.027 -176.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.7 ptm -61.29 -31.14 70.97 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.583 -0.698 . . . . 0.0 112.16 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -62.22 -39.45 92.83 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.387 -0.821 . . . . 0.0 111.795 173.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -71.54 -39.02 70.97 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.551 0.74 . . . . 0.0 111.486 176.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.3 mtm105 -59.4 -44.91 92.74 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 118.45 -0.786 . . . . 0.0 111.197 171.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.9 m -62.2 -35.92 80.35 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.389 0.676 . . . . 0.0 112.644 174.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -70.14 -35.29 73.94 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.006 -1.059 . . . . 0.0 112.297 176.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -71.62 -33.65 69.15 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.44 0.696 . . . . 0.0 112.352 171.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.78 -35.69 66.07 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 124.71 1.204 . . . . 0.0 111.433 167.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.55 -36.52 80.84 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 120.129 1.331 . . . . 0.0 113.081 -176.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -64.31 -44.63 90.98 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.373 1.069 . . . . 0.0 111.899 173.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tt -62.65 -43.4 98.91 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.329 1.451 . . . . 0.0 111.57 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -43.0 93.8 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.174 1.389 . . . . 0.0 110.521 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.1 m -58.26 -38.95 77.94 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.073 0.949 . . . . 0.0 112.534 174.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 t -73.37 -38.98 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.365 1.066 . . . . 0.0 112.138 176.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.9 mt -71.3 -36.82 71.79 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.904 1.229 . . . . 0.0 112.699 176.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.5 mmt -55.52 -42.8 75.03 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.292 1.037 . . . . 0.0 111.136 166.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.46 -36.96 79.5 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.676 0.79 . . . . 0.0 112.701 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.9 mm -60.89 -45.24 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 120.217 1.372 . . . . 0.0 109.261 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -67.94 -38.0 82.29 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.326 0.651 . . . . 0.0 112.144 -174.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -71.82 -48.95 42.74 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.145 0.978 . . . . 0.0 111.817 173.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.34 -48.47 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.741 0.817 . . . . 0.0 111.358 -176.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -93.84 9.27 37.95 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -172.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.64 39.84 77.68 Favored Glycine 0 N--CA 1.471 1.008 0 O-C-N 121.203 -0.935 . . . . 0.0 115.3 173.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.2 152.1 47.91 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 122.106 0.836 . . . . 0.0 113.326 174.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -67.3 157.51 33.76 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.811 1.644 . . . . 0.0 112.152 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -65.78 -22.48 66.58 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.743 -1.223 . . . . 0.0 112.945 173.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.9 p -74.3 -34.63 63.57 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.234 -1.541 . . . . 0.0 112.073 166.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.0 m -63.85 -39.8 95.06 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 120.737 -1.227 . . . . 0.0 110.657 168.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.8 84.73 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.354 1.062 . . . . 0.0 112.371 171.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -65.77 -39.1 90.69 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.002 -1.061 . . . . 0.0 112.34 172.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -66.45 -29.25 69.34 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 120.817 -1.177 . . . . 0.0 113.218 171.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.4 mmt -64.04 -43.47 95.44 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.697 1.135 . . . . 0.0 111.808 168.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -57.57 -45.17 85.53 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 118.967 0.803 . . . . 0.0 111.377 174.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.7 t -61.56 -42.7 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.498 1.119 . . . . 0.0 112.321 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -68.09 -40.73 82.57 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.407 1.083 . . . . 0.0 110.564 -178.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.25 -46.93 81.63 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.528 0.731 . . . . 0.0 111.796 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -71.49 -26.57 62.75 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.779 1.232 . . . . 0.0 112.504 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.5 t -69.9 -32.47 70.81 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.255 1.422 . . . . 0.0 113.101 169.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 1.66 ' HD2' ' CD1' ' A' ' 47' ' ' PHE . 52.3 t80 -71.47 -44.46 64.71 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -176.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.65 -36.11 77.87 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.552 1.069 . . . . 0.0 112.136 173.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.96 -26.0 65.72 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.1 0.96 . . . . 0.0 113.209 178.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.35 -43.02 21.85 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.177 0.991 . . . . 0.0 112.189 167.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.2 tp -71.59 -27.67 63.29 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.484 -0.76 . . . . 0.0 112.761 -175.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -57.21 -32.96 67.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.016 0.926 . . . . 0.0 112.345 173.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -70.57 -17.96 62.91 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -97.43 -7.16 32.29 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.321 1.848 . . . . 0.0 114.091 174.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.9 t -66.41 22.2 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 128.523 2.729 . . . . 0.0 117.743 -167.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.2 p -60.51 -12.89 11.04 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.0 m -140.62 137.97 34.03 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.25 0.932 . . . . 0.0 109.833 158.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -58.13 -33.9 69.65 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.265 0.626 . . . . 0.0 112.138 174.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -63.08 -35.43 80.22 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.684 1.194 . . . . 0.0 111.883 176.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.82 -36.53 50.07 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.277 1.031 . . . . 0.0 112.03 175.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 1.651 ' HE2' ' CE1' ' A' ' 61' ' ' TYR . 27.3 t80 -60.49 -50.16 74.67 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.636 -0.665 . . . . 0.0 110.619 170.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -63.51 -43.53 96.95 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.502 1.121 . . . . 0.0 112.323 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -60.35 -45.24 94.16 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.498 0.719 . . . . 0.0 111.66 172.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.7 m -73.41 -35.38 65.85 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.782 -0.574 . . . . 0.0 111.829 -174.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 67.8 mmm -56.99 -50.8 71.59 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.77 0.714 . . . . 0.0 111.255 167.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -58.46 -43.07 88.71 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.498 1.119 . . . . 0.0 111.733 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 t -64.22 -42.65 96.5 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.962 1.305 . . . . 0.0 113.073 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -43.8 86.78 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.031 0.932 . . . . 0.0 111.317 173.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.89 -38.92 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 124.592 1.157 . . . . 0.0 111.38 176.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -63.01 -42.17 99.75 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.868 1.213 . . . . 0.0 112.063 174.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.2 -35.73 81.76 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 176.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.4 mtt -77.3 -33.08 55.74 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.291 1.036 . . . . 0.0 113.094 175.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 36.9 mtt-85 -59.77 -45.78 91.22 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.54 1.136 . . . . 0.0 110.83 168.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.9 m -57.98 -32.38 67.82 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.954 0.902 . . . . 0.0 112.168 172.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.2 m -69.53 -46.61 66.1 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 117.519 -1.229 . . . . 0.0 112.131 171.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -50.06 -46.21 53.01 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 120.638 1.563 . . . . 0.0 111.155 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -68.21 -35.97 78.79 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.277 1.831 . . . . 0.0 111.843 -174.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -70.68 -51.57 26.84 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.828 0.823 . . . . 0.0 112.218 173.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -56.92 -17.46 9.66 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.193 -1.367 . . . . 0.0 113.003 173.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -75.21 -50.56 15.82 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 118.747 0.703 . . . . 0.0 111.125 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -79.07 -31.88 44.6 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -170.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.56 -16.78 64.37 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 166.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.5 m -92.3 -48.21 6.79 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.614 0.766 . . . . 0.0 111.959 171.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.8 m -141.36 111.26 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 126.5 1.92 . . . . 0.0 110.838 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -85.65 1.21 88.25 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.181 1.372 . . . . 0.0 116.4 -173.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 C--O 1.252 1.217 0 C-N-CA 125.466 1.506 . . . . 0.0 112.144 177.725 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.7 ttp . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -81.15 25.39 0.48 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -156.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m -55.76 -44.09 77.33 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 120.155 1.343 . . . . 0.0 113.379 -173.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -59.74 -34.06 72.46 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.876 1.27 . . . . 0.0 113.014 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -85.97 -1.69 57.57 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 127.208 2.203 . . . . 0.0 113.684 175.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.1 m -125.0 26.58 6.96 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 126.875 2.07 . . . . 0.0 111.548 -171.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -46.86 123.62 7.77 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 127.86 2.464 . . . . 0.0 111.637 176.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -51.14 134.17 42.95 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 124.579 3.519 . . . . 0.0 115.999 -167.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -34.45 55.62 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.287 1.035 . . . . 0.0 113.24 175.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -67.61 -37.9 83.18 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 174.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -70.99 -34.8 71.72 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.686 -1.258 . . . . 0.0 112.082 172.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 71.6 mtm-85 -63.56 -44.26 94.65 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.905 0.775 . . . . 0.0 111.18 172.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.8 m -66.22 -28.69 68.93 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.061 0.944 . . . . 0.0 113.175 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -69.24 -42.72 75.28 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.474 1.11 . . . . 0.0 111.987 171.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -61.59 -43.2 99.3 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.974 0.806 . . . . 0.0 111.79 172.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.7 t -57.64 -35.96 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 124.594 1.157 . . . . 0.0 111.219 174.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.66 74.99 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.494 1.043 . . . . 0.0 113.362 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -65.57 -41.84 92.44 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.469 -0.77 . . . . 0.0 111.674 172.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.95 -46.54 84.22 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.444 1.498 . . . . 0.0 111.69 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -47.24 71.59 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 124.674 1.19 . . . . 0.0 111.534 175.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.9 m -66.55 -30.67 71.03 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.081 0.953 . . . . 0.0 112.132 -177.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.5 t -74.53 -46.06 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 118.564 -0.732 . . . . 0.0 111.306 170.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.9 mt -66.52 -33.36 75.51 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.057 1.298 . . . . 0.0 112.874 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 70.5 mmm -59.18 -37.3 77.03 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.014 1.325 . . . . 0.0 111.468 166.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -39.64 93.19 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.214 0.606 . . . . 0.0 111.995 171.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.8 mm -62.38 -45.82 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 119.274 0.943 . . . . 0.0 108.823 176.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -65.71 -35.99 82.33 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -71.34 -42.46 68.49 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.329 1.052 . . . . 0.0 112.331 177.183 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.0 mt -68.3 -40.91 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.458 1.103 . . . . 0.0 110.669 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -72.2 -25.81 61.81 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.874 0.869 . . . . 0.0 113.218 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.06 51.05 36.04 Favored Glycine 0 CA--C 1.526 0.777 0 CA-C-N 119.331 0.969 . . . . 0.0 112.533 -173.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.13 -160.74 25.25 Favored Glycine 0 CA--C 1.535 1.328 0 CA-C-O 121.962 0.757 . . . . 0.0 112.974 165.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -117.83 168.25 10.65 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.505 2.322 . . . . 0.0 112.112 -170.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 t -59.54 -28.93 67.53 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.649 1.179 . . . . 0.0 112.49 168.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.9 m -69.22 -40.05 78.21 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.202 1.001 . . . . 0.0 111.676 169.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 m -67.65 -35.57 79.12 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.114 -0.991 . . . . 0.0 111.073 175.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.07 95.24 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.947 0.899 . . . . 0.0 112.077 171.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -62.25 -43.35 99.02 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.181 0.901 . . . . 0.0 112.592 170.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -61.74 -30.79 71.01 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.119 -0.988 . . . . 0.0 113.384 174.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.5 mmt -73.53 -41.12 63.43 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.024 0.93 . . . . 0.0 112.607 169.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -59.14 -42.05 89.72 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.165 1.386 . . . . 0.0 112.201 175.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 t -57.46 -37.04 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 126.061 1.745 . . . . 0.0 112.244 170.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -71.99 -35.24 69.42 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.277 1.031 . . . . 0.0 111.064 -176.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.04 -44.76 60.35 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.013 0.925 . . . . 0.0 112.514 175.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -63.34 -33.0 74.57 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.586 1.155 . . . . 0.0 112.69 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.2 p -78.59 -31.08 47.02 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.259 1.024 . . . . 0.0 113.641 173.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -62.42 -52.15 64.7 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.924 0.89 . . . . 0.0 112.78 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.9 -41.13 77.55 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.848 0.749 . . . . 0.0 111.919 177.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.01 -34.93 73.94 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.969 1.308 . . . . 0.0 114.011 -176.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.38 -40.39 51.15 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.367 0.667 . . . . 0.0 111.169 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.0 tp -70.96 -28.83 64.75 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 122.89 0.476 . . . . 0.0 111.988 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -63.97 -28.36 69.76 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.723 1.609 . . . . 0.0 113.267 172.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -71.94 -40.36 68.79 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.465 -1.397 . . . . 0.0 112.092 166.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -88.18 2.35 52.38 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.458 1.503 . . . . 0.0 115.048 -173.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 85.2 p -62.32 23.6 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 131.035 3.734 . . . . 0.0 118.019 -173.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.7 m -60.37 -20.3 58.98 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.469 -1.395 . . . . 0.0 114.528 -159.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.2 m -136.33 144.05 44.44 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.081 1.352 . . . . 0.0 110.253 154.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -60.87 -32.92 72.34 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.58 1.152 . . . . 0.0 111.38 176.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -55.8 -38.47 70.0 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.74 1.216 . . . . 0.0 112.684 173.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -81.45 -38.84 25.78 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.973 0.909 . . . . 0.0 112.494 174.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -56.67 -50.9 70.75 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.103 0.865 . . . . 0.0 110.567 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -72.79 -30.32 64.0 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.566 -0.709 . . . . 0.0 112.898 -177.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.39 -45.03 92.61 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.181 -0.95 . . . . 0.0 110.827 166.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.2 m -75.94 -39.48 56.04 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.003 0.921 . . . . 0.0 112.904 -174.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -64.71 -41.79 95.74 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.237 1.015 . . . . 0.0 111.635 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -64.96 -49.42 70.37 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.311 1.044 . . . . 0.0 109.83 170.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.9 m -65.79 -26.92 67.91 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.744 1.156 . . . . 0.0 114.12 -174.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -75.26 -43.5 51.08 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.595 1.089 . . . . 0.0 112.231 173.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 23.1 mt -56.37 -37.79 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.035 0.534 . . . . 0.0 110.554 167.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -66.37 -44.12 84.03 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.298 1.039 . . . . 0.0 112.981 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.27 93.37 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.079 0.552 . . . . 0.0 110.914 172.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.2 mtt -68.79 -38.28 79.88 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.527 -0.733 . . . . 0.0 112.824 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.0 mtm105 -60.26 -40.0 88.77 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 120.858 -1.151 . . . . 0.0 111.511 168.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.1 m -67.37 -36.7 81.9 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.91 0.884 . . . . 0.0 111.744 176.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.2 m -66.95 -42.01 85.97 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.663 1.185 . . . . 0.0 112.101 172.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -50.83 -39.94 54.58 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.766 1.626 . . . . 0.0 112.496 172.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.72 -40.19 66.33 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.027 1.331 . . . . 0.0 111.683 176.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -61.77 -49.89 74.54 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 120.566 -1.334 . . . . 0.0 113.513 175.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 72.2 mmt-85 -58.63 -17.53 22.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.914 0.886 . . . . 0.0 112.832 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -77.97 -41.56 35.68 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.301 0.955 . . . . 0.0 112.197 173.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 72.7 mtm-85 -63.78 -41.45 97.94 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.881 0.872 . . . . 0.0 111.517 173.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.07 -15.91 63.06 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 124.745 1.218 . . . . 0.0 112.984 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.4 t -95.42 -48.39 5.88 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 119.673 1.124 . . . . 0.0 112.898 172.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.8 m -140.32 4.02 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 -166.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.87 27.17 68.1 Favored Glycine 0 CA--C 1.541 1.667 0 N-CA-C 116.642 1.417 . . . . 0.0 116.642 170.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.0 p . . . . . 0 C--O 1.252 1.192 0 C-N-CA 125.006 1.322 . . . . 0.0 113.986 -174.339 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 119.665 -0.207 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -88.84 8.46 29.03 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 -177.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -50.42 -28.8 8.85 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.119 2.168 . . . . 0.0 115.503 -173.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -48.92 -31.05 6.64 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.201 1.8 . . . . 0.0 113.589 171.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -78.29 -15.14 59.04 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.345 1.458 . . . . 0.0 112.278 -178.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.1 m -122.8 -9.12 8.37 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.169 1.388 . . . . 0.0 112.519 -161.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.33 118.69 9.7 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 126.775 2.03 . . . . 0.0 111.079 -175.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -58.73 135.82 69.69 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.44 2.76 . . . . 0.0 114.75 -168.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 69.5 mtm -66.04 -20.66 66.25 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 172.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -67.71 -34.77 77.53 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 120.276 1.398 . . . . 0.0 112.842 166.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -71.1 -53.17 15.54 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.135 0.879 . . . . 0.0 110.506 175.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -52.79 -47.95 67.19 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.751 0.705 . . . . 0.0 111.343 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.3 m -62.97 -27.47 69.42 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -73.46 -32.82 64.55 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 120.033 1.288 . . . . 0.0 112.007 171.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -71.36 -48.53 49.53 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.138 0.881 . . . . 0.0 111.31 172.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.7 t -56.05 -34.34 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 126.437 1.895 . . . . 0.0 111.312 173.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.14 -29.5 70.38 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.169 0.895 . . . . 0.0 112.764 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -74.62 -38.28 62.59 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.282 1.433 . . . . 0.0 112.031 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.94 -45.58 94.13 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.19 1.796 . . . . 0.0 110.466 166.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -48.17 81.09 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.166 0.986 . . . . 0.0 112.745 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.9 m -54.44 -37.31 65.01 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.984 0.913 . . . . 0.0 112.354 175.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.1 t -74.22 -42.54 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.161 0.984 . . . . 0.0 111.873 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.3 mt -66.56 -37.21 84.47 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.866 0.757 . . . . 0.0 112.47 175.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.9 mmt -60.89 -33.56 73.3 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.552 1.541 . . . . 0.0 111.706 170.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -34.68 78.67 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.441 -0.787 . . . . 0.0 112.121 174.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 mm -64.49 -36.97 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 O-C-N 121.335 -0.853 . . . . 0.0 110.191 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -61.8 -37.96 86.33 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.796 0.838 . . . . 0.0 111.826 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt -77.86 -30.78 51.09 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.461 1.504 . . . . 0.0 113.593 173.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.0 mt -75.12 -41.22 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.462 1.105 . . . . 0.0 112.192 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -112.98 14.22 19.64 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.012 1.325 . . . . 0.0 113.813 -167.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.3 21.38 75.83 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 121.043 -1.035 . . . . 0.0 115.463 175.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.81 142.74 48.35 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-N 118.109 0.955 . . . . 0.0 112.626 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.15 176.78 8.17 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.687 1.195 . . . . 0.0 113.482 177.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.3 p -62.86 -28.92 70.36 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.0 m -69.5 -40.18 77.15 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.511 1.125 . . . . 0.0 111.177 173.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.9 m -60.09 -41.12 91.79 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.556 0.742 . . . . 0.0 110.659 171.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.39 -34.8 76.68 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 121.392 -0.817 . . . . 0.0 112.717 175.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -63.28 -36.8 84.88 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 120.746 -1.221 . . . . 0.0 112.574 169.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -70.96 -29.39 65.39 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 170.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.6 mmt -62.07 -43.18 99.39 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.282 1.401 . . . . 0.0 111.576 168.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -57.09 -42.13 80.16 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.972 0.509 . . . . 0.0 111.779 171.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.5 t -69.35 -30.15 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 123.787 0.835 . . . . 0.0 112.802 174.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.38 -35.91 76.28 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 120.337 -1.477 . . . . 0.0 110.072 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.11 -48.18 58.67 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.205 1.002 . . . . 0.0 112.467 172.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -65.86 -31.03 71.75 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.348 1.059 . . . . 0.0 113.712 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.8 p -78.55 -24.85 45.42 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.72 1.208 . . . . 0.0 113.139 170.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.408 ' CD1' ' HE2' ' A' ' 68' ' ' LYS . 37.9 t80 -68.11 -45.68 73.04 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.522 1.055 . . . . 0.0 111.879 168.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -52.66 -51.74 58.86 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 121.647 0.737 . . . . 0.0 110.135 171.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.45 -33.82 76.41 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.48 -44.84 61.73 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.572 0.749 . . . . 0.0 111.29 175.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.6 tp -74.17 -28.07 61.12 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.583 1.153 . . . . 0.0 112.475 -175.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 1.612 ' HE1' ' CE2' ' A' ' 52' ' ' PHE . 39.3 t80 -60.63 -32.92 72.05 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.284 1.034 . . . . 0.0 112.394 178.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -71.5 -29.42 64.79 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.0 -1.063 . . . . 0.0 113.086 171.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -83.75 -3.2 57.61 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.763 1.625 . . . . 0.0 113.156 177.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.5 t -69.06 21.83 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 128.155 2.582 . . . . 0.0 116.408 -167.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.0 m -68.41 1.21 3.18 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -172.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.1 t -146.96 144.62 29.33 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.793 1.237 . . . . 0.0 109.529 152.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -68.04 -38.67 82.77 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.591 0.756 . . . . 0.0 110.932 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -54.44 -41.5 69.47 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.274 1.03 . . . . 0.0 111.125 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -78.57 -36.14 44.88 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.721 0.808 . . . . 0.0 112.794 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -60.03 -52.78 63.91 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.703 1.138 . . . . 0.0 110.596 174.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -71.23 -33.76 70.16 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.577 -0.702 . . . . 0.0 112.65 -176.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.95 -41.21 82.8 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.24 0.616 . . . . 0.0 111.785 171.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.0 m -68.44 -33.62 74.52 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.782 0.719 . . . . 0.0 111.704 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 61.0 tpp -62.03 -45.96 91.28 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.328 0.967 . . . . 0.0 111.692 170.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -62.02 -44.22 97.18 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.998 0.919 . . . . 0.0 111.407 174.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.1 t -60.6 -38.92 86.26 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.787 1.235 . . . . 0.0 112.983 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.408 ' HE2' ' CD1' ' A' ' 47' ' ' PHE . 53.7 tptt -68.06 -46.68 70.39 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.264 1.426 . . . . 0.0 112.151 175.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 57.5 mt -53.46 -49.17 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.428 1.091 . . . . 0.0 109.473 173.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.71 -41.56 95.91 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.61 1.164 . . . . 0.0 113.753 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.67 93.27 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.719 0.808 . . . . 0.0 111.935 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.6 mtt -71.3 -29.55 65.17 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.933 0.893 . . . . 0.0 112.153 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -36.88 85.08 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.701 1.137 . . . . 0.0 111.413 168.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.7 t -64.7 -41.56 95.92 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.869 -0.52 . . . . 0.0 111.903 170.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.2 m -59.73 -47.57 85.14 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.5 0.72 . . . . 0.0 111.388 173.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.05 -42.87 50.59 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 128.043 2.537 . . . . 0.0 114.144 176.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.15 -30.91 58.31 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.382 0.673 . . . . 0.0 112.295 178.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.1 tttt -70.42 -46.05 64.67 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.184 0.994 . . . . 0.0 112.443 175.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -53.58 -27.71 28.03 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.549 1.14 . . . . 0.0 111.924 168.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -77.48 -39.37 46.74 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.517 1.053 . . . . 0.0 112.272 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -64.96 -38.17 90.08 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.166 0.986 . . . . 0.0 112.441 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -75.24 -21.43 58.59 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 124.528 1.131 . . . . 0.0 113.072 173.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t -92.23 -44.0 9.01 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 119.835 1.198 . . . . 0.0 112.982 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.8 t -87.87 -26.46 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.496 1.518 . . . . 0.0 111.711 -177.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.8 -16.59 36.6 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 125.215 1.388 . . . . 0.0 116.378 167.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.1 p . . . . . 0 N--CA 1.48 1.059 0 CA-C-N 119.244 1.522 . . . . 0.0 114.372 177.74 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ttt . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 m -77.18 25.41 0.16 Allowed 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 -169.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -49.55 -34.99 18.96 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 127.493 2.317 . . . . 0.0 114.8 -176.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -55.09 -22.1 15.11 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.812 1.645 . . . . 0.0 113.959 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -89.63 -18.43 26.52 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.404 1.081 . . . . 0.0 113.517 -175.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.5 m -126.35 5.68 6.99 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.642 1.177 . . . . 0.0 112.682 -160.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -55.94 130.17 72.82 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 126.282 1.833 . . . . 0.0 110.153 176.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -60.61 139.45 85.95 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.411 2.074 . . . . 0.0 114.101 -174.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.1 ptp -64.19 -30.22 71.29 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.925 -0.485 . . . . 0.0 111.567 177.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -66.33 -40.85 90.13 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.68 1.192 . . . . 0.0 111.109 175.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -66.5 -42.15 87.82 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.5 -0.75 . . . . 0.0 111.474 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -61.56 -46.6 89.24 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.874 -0.516 . . . . 0.0 110.982 168.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.4 m -60.92 -35.27 76.27 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -66.3 -35.92 81.63 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.468 1.031 . . . . 0.0 112.561 173.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -71.9 -38.66 69.92 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.458 0.703 . . . . 0.0 112.086 174.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.63 -43.32 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.692 0.797 . . . . 0.0 110.736 171.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.03 -35.69 81.25 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.338 0.972 . . . . 0.0 112.599 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -64.66 -45.62 85.97 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.173 1.389 . . . . 0.0 111.459 174.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tt -60.71 -52.6 64.41 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.958 1.703 . . . . 0.0 112.221 172.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.83 -48.41 72.87 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.76 1.624 . . . . 0.0 110.081 -178.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.6 m -63.92 -31.34 72.48 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.508 0.723 . . . . 0.0 112.505 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.9 t -72.86 -40.84 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.111 -0.993 . . . . 0.0 111.75 173.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.2 mt -63.56 -36.95 85.5 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.561 1.073 . . . . 0.0 111.485 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 22.1 mmt -61.23 -26.22 67.6 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.018 1.327 . . . . 0.0 112.969 171.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -67.48 -39.93 85.27 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 120.129 1.331 . . . . 0.0 110.834 171.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.5 mm -64.45 -40.99 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 121.003 -1.06 . . . . 0.0 109.904 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -60.49 -36.44 78.31 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.223 1.009 . . . . 0.0 112.524 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -69.52 -51.6 34.18 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.406 1.083 . . . . 0.0 112.023 169.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 55.9 mt -54.32 -47.35 69.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.139 1.376 . . . . 0.0 111.679 -177.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -95.88 8.68 42.94 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -177.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 67.28 20.26 71.18 Favored Glycine 0 N--CA 1.471 1.018 0 O-C-N 121.076 -1.015 . . . . 0.0 115.154 174.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.7 137.4 48.63 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.461 1.029 . . . . 0.0 112.349 -174.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -60.27 160.55 8.29 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.251 1.021 . . . . 0.0 113.081 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.4 p -60.17 -34.03 73.02 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.471 -1.393 . . . . 0.0 114.133 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.1 m -68.42 -34.73 76.51 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.089 -1.007 . . . . 0.0 110.891 171.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.3 m -64.98 -31.94 73.43 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.759 -1.213 . . . . 0.0 111.358 171.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.97 -35.77 77.11 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.224 -0.923 . . . . 0.0 111.98 170.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -65.54 -38.97 91.17 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.698 -1.251 . . . . 0.0 112.611 169.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -57.37 -30.69 65.09 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.742 -1.224 . . . . 0.0 112.729 168.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.3 mmt -73.72 -39.56 64.2 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.619 1.1 . . . . 0.0 112.805 170.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -54.02 -44.82 71.29 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 119.386 0.994 . . . . 0.0 111.111 170.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.5 t -64.14 -39.22 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.256 1.422 . . . . 0.0 112.467 174.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.56 -39.03 88.3 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.942 -1.099 . . . . 0.0 110.182 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.8 -49.69 56.48 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.698 0.799 . . . . 0.0 112.694 177.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -64.7 -39.14 93.14 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.889 0.876 . . . . 0.0 112.265 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.3 p -73.0 -36.44 67.03 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 176.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 1.662 ' HD1' ' CD2' ' A' ' 47' ' ' PHE . 86.5 t80 -54.04 -50.27 67.06 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.338 0.972 . . . . 0.0 111.632 176.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . 0.266 0.5 OUTLIER -71.71 -35.6 70.28 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -178.079 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.33 98.3 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.59 0.632 . . . . 0.0 112.118 177.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.07 -36.68 77.91 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.615 0.766 . . . . 0.0 111.606 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.9 tp -72.74 -32.16 65.47 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.165 0.986 . . . . 0.0 112.63 176.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -63.25 -30.54 71.66 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.714 1.206 . . . . 0.0 111.819 174.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -71.47 -32.93 68.84 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 120.817 -1.177 . . . . 0.0 113.297 168.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -81.33 -4.25 55.09 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.319 1.448 . . . . 0.0 114.437 174.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.6 p -66.62 22.48 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 117.333 2.346 . . . . 0.0 117.333 -173.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.2 m -60.4 -8.11 2.48 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.036 1.334 . . . . 0.0 114.123 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.0 p -134.7 150.66 50.63 Favored 'General case' 0 C--O 1.238 0.484 0 O-C-N 121.488 -0.757 . . . . 0.0 111.246 143.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -57.61 -37.09 72.68 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.143 0.977 . . . . 0.0 110.722 169.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -65.38 -28.01 68.97 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -80.12 -38.92 30.55 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 120.296 1.407 . . . . 0.0 112.706 170.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -60.56 -50.89 71.73 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.036 0.834 . . . . 0.0 110.204 174.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -65.58 -41.92 92.33 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.251 -0.88 . . . . 0.0 112.963 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -63.11 -47.03 84.58 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.279 0.945 . . . . 0.0 111.806 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.6 m -70.87 -39.06 73.07 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.503 0.592 . . . . 0.0 111.153 -176.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 63.2 tpp -56.7 -52.58 64.38 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.284 0.633 . . . . 0.0 110.697 172.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -61.82 -43.65 98.42 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.083 0.553 . . . . 0.0 111.305 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.3 m -71.92 -33.92 68.66 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 121.313 -0.867 . . . . 0.0 113.282 -174.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.93 -38.27 61.81 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 118.785 0.72 . . . . 0.0 111.967 172.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 59.0 mt -58.78 -47.33 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 118.736 0.698 . . . . 0.0 110.32 170.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -66.93 -34.68 78.3 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.543 1.065 . . . . 0.0 112.793 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.59 -40.23 96.23 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.097 0.862 . . . . 0.0 112.004 171.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.8 mmt -72.77 -38.77 67.19 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 120.944 -1.098 . . . . 0.0 112.337 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.0 mtt-85 -57.74 -44.68 86.24 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.477 1.111 . . . . 0.0 111.412 169.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.1 m -72.59 -22.22 61.01 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.3 1.04 . . . . 0.0 113.12 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.4 m -68.24 -43.3 78.22 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.391 168.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.5 mtm180 -52.98 -39.54 63.11 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 120.476 1.489 . . . . 0.0 112.97 173.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.44 -35.68 75.91 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.763 1.225 . . . . 0.0 111.361 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.6 tttm -78.27 -46.75 19.44 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 174.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.2 mmt85 -53.88 -23.14 11.63 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.138 0.975 . . . . 0.0 112.352 171.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -73.11 -40.78 64.68 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.219 0.918 . . . . 0.0 111.559 174.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.27 -24.62 24.29 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.187 1.395 . . . . 0.0 114.494 -178.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.81 -34.3 77.84 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.524 0.729 . . . . 0.0 110.597 162.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.4 m -88.41 -13.5 40.35 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.6 t 55.99 87.06 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 128.323 2.649 . . . . 0.0 113.777 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -89.64 10.64 72.86 Favored Glycine 0 CA--C 1.541 1.66 0 C-N-CA 125.093 1.33 . . . . 0.0 114.527 168.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 C--O 1.251 1.172 0 C-N-CA 126.684 1.994 . . . . 0.0 113.965 -165.557 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.0 ttp . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m 50.44 34.56 9.44 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 116.752 2.13 . . . . 0.0 116.752 172.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -56.91 -44.02 81.95 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 120.347 -1.471 . . . . 0.0 113.081 -178.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 tmmt? -62.29 -33.06 73.92 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.941 0.896 . . . . 0.0 111.994 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -83.92 -7.62 59.38 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.725 1.21 . . . . 0.0 112.734 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.9 m -106.79 -10.67 15.99 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.064 1.745 . . . . 0.0 112.598 177.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.28 115.47 13.45 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 125.664 1.586 . . . . 0.0 111.195 -168.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.13 145.82 97.6 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.078 2.519 . . . . 0.0 113.897 -172.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.5 ttt -61.5 -30.45 70.63 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 122.896 0.479 . . . . 0.0 111.067 170.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -59.91 -44.51 94.25 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.576 -0.703 . . . . 0.0 111.921 173.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -70.34 -40.06 74.34 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.383 -0.823 . . . . 0.0 111.86 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -61.81 -51.05 69.84 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.22 1.008 . . . . 0.0 111.807 173.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.3 m -62.66 -30.2 71.2 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.837 0.855 . . . . 0.0 112.58 175.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -69.8 -39.79 76.37 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.144 0.884 . . . . 0.0 112.15 170.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -31.59 70.77 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.619 1.1 . . . . 0.0 111.336 175.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.2 t -64.75 -42.42 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-O 117.578 -1.201 . . . . 0.0 111.007 167.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.86 -36.05 78.17 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 121.247 1.84 . . . . 0.0 113.232 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -62.82 -38.53 91.07 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.93 1.292 . . . . 0.0 112.73 173.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tt -73.88 -44.79 54.24 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.106 1.763 . . . . 0.0 111.981 173.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.24 -46.87 79.4 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 126.622 1.969 . . . . 0.0 109.712 -178.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.2 m -63.11 -32.63 74.05 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.999 0.92 . . . . 0.0 112.683 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 36.0 t -74.08 -43.07 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.706 0.802 . . . . 0.0 111.565 174.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.4 mt -66.89 -35.68 80.56 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.432 1.015 . . . . 0.0 112.174 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.2 mmt -62.43 -32.94 73.88 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.947 0.899 . . . . 0.0 112.117 169.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -37.56 87.83 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.913 0.779 . . . . 0.0 111.87 173.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.5 mm -57.8 -46.31 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 173.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -70.23 -36.23 74.37 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -175.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -73.82 -28.11 61.45 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.571 1.548 . . . . 0.0 113.883 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.2 mt -75.68 -47.92 31.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.738 0.815 . . . . 0.0 110.323 171.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -75.93 -13.96 60.25 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.151 1.38 . . . . 0.0 114.123 -174.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.32 28.5 73.64 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 120.879 -1.138 . . . . 0.0 113.21 -172.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.6 142.55 46.98 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 117.952 0.876 . . . . 0.0 111.631 178.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -57.13 162.27 2.68 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.877 1.671 . . . . 0.0 113.841 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 97.1 p -51.55 -36.09 43.64 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.557 1.143 . . . . 0.0 112.549 169.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.5 m -62.55 -38.94 91.99 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.356 1.062 . . . . 0.0 111.477 174.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 m -72.53 -37.79 68.21 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.985 1.314 . . . . 0.0 112.342 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.7 87.65 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 118.949 0.795 . . . . 0.0 111.349 171.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -63.37 -35.81 81.63 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.314 -0.866 . . . . 0.0 113.046 170.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -65.43 -35.16 80.09 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.676 1.125 . . . . 0.0 113.582 167.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.5 mmt -63.24 -40.3 97.05 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 120.395 1.452 . . . . 0.0 111.4 173.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -58.93 -46.95 86.72 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.084 0.554 . . . . 0.0 111.992 170.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.95 -39.45 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 123.917 0.887 . . . . 0.0 112.178 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.37 -36.66 81.8 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.552 1.141 . . . . 0.0 110.28 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.23 -45.62 54.98 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.462 0.705 . . . . 0.0 112.857 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -67.4 -28.13 67.66 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.068 1.347 . . . . 0.0 112.303 173.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.6 t -66.68 -39.18 88.03 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 123.365 0.666 . . . . 0.0 111.136 166.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 1.657 ' HD1' ' CD2' ' A' ' 47' ' ' PHE . 9.5 t80 -63.11 -39.98 96.29 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.922 1.237 . . . . 0.0 113.816 -175.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -66.3 -40.75 90.2 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.597 1.089 . . . . 0.0 112.577 172.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.0 -40.06 78.96 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.413 -0.805 . . . . 0.0 112.391 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.13 -33.86 77.03 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 125.398 1.479 . . . . 0.0 111.783 175.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 tp -78.83 -37.58 40.2 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 118.949 -0.548 . . . . 0.0 111.631 174.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -55.72 -31.91 62.9 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.996 1.318 . . . . 0.0 112.444 171.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -68.83 -24.87 64.42 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 124.784 1.234 . . . . 0.0 113.471 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -119.46 10.27 11.81 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 126.357 1.863 . . . . 0.0 115.853 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.3 t -59.78 26.61 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 130.809 3.644 . . . . 0.0 118.015 -173.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 80.4 p -57.66 -1.07 0.08 Allowed 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 117.319 2.34 . . . . 0.0 117.319 -169.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 t -160.37 151.57 19.23 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.888 1.675 . . . . 0.0 110.803 161.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -61.64 -41.31 97.32 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 121.234 -0.916 . . . . 0.0 112.299 178.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -55.58 -43.46 76.0 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.002 0.365 . . . . 0.0 111.189 176.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -67.68 -40.91 84.37 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -60.1 -51.0 71.5 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 121.428 0.632 . . . . 0.0 110.019 174.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -65.8 -41.58 91.74 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 120.762 -1.211 . . . . 0.0 112.894 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -74.28 -38.15 63.5 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.346 1.058 . . . . 0.0 112.844 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.5 m -68.92 -42.42 76.81 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.022 0.828 . . . . 0.0 111.395 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.7 ttt -64.84 -39.93 94.36 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.698 0.681 . . . . 0.0 111.368 177.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.8 tmtp? -65.21 -39.24 92.52 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.304 0.642 . . . . 0.0 112.003 172.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.2 t -58.99 -45.76 89.83 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.54 1.136 . . . . 0.0 111.894 175.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -75.51 -36.69 60.48 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 117.775 -1.107 . . . . 0.0 113.501 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.06 -41.93 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 120.378 1.444 . . . . 0.0 110.426 171.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -61.73 -36.04 79.82 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.827 1.251 . . . . 0.0 112.79 175.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.33 -41.72 63.14 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.488 0.715 . . . . 0.0 112.287 172.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.2 mtt -67.93 -29.51 68.6 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.732 -1.23 . . . . 0.0 112.046 177.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -61.08 -39.83 91.38 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.236 1.014 . . . . 0.0 111.093 165.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.3 m -63.88 -42.33 97.52 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.25 0.932 . . . . 0.0 111.663 171.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.4 m -62.51 -47.95 81.67 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.827 0.851 . . . . 0.0 111.33 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -50.23 -48.65 54.4 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.794 2.038 . . . . 0.0 111.786 169.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -64.74 -37.21 86.83 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.627 0.771 . . . . 0.0 109.73 -175.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -67.86 -45.42 74.63 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.15 1.38 . . . . 0.0 113.242 174.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -54.23 -28.67 42.72 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 118.556 -0.735 . . . . 0.0 111.702 169.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -76.07 -38.51 56.96 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 119.95 1.25 . . . . 0.0 111.069 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -65.39 -27.46 68.57 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.804 1.642 . . . . 0.0 112.962 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -85.89 -18.4 32.87 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.271 1.428 . . . . 0.0 113.393 170.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.0 t -86.41 -33.84 20.34 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.773 0.829 . . . . 0.0 112.797 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.8 m -104.24 15.68 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 123.817 0.847 . . . . 0.0 113.181 167.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.1 13.69 49.86 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 126.698 2.094 . . . . 0.0 117.412 164.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.9 m . . . . . 0 C--O 1.248 1.003 0 C-N-CA 126.196 1.798 . . . . 0.0 111.921 -175.16 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.7 mtm . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.343 0.116 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.0 p -53.05 -29.12 28.16 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.535 1.934 . . . . 0.0 114.114 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 m -59.03 -31.38 68.79 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.841 1.656 . . . . 0.0 113.629 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -62.19 -36.03 80.67 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.71 1.204 . . . . 0.0 111.85 173.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -92.69 -24.55 18.59 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.769 2.028 . . . . 0.0 113.99 -173.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.21 23.84 6.96 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.525 1.13 . . . . 0.0 112.344 -160.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -45.48 123.77 5.8 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 129.369 3.068 . . . . 0.0 113.155 -172.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -68.46 141.7 51.78 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.213 2.609 . . . . 0.0 114.535 -177.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -59.09 -29.23 67.2 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.009 0.924 . . . . 0.0 112.745 173.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -64.79 -38.68 91.82 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.588 -0.695 . . . . 0.0 111.693 175.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -70.4 -37.14 74.44 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.94 -0.475 . . . . 0.0 110.776 175.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.9 mtm-85 -57.96 -46.74 84.63 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.596 -0.69 . . . . 0.0 110.96 170.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.0 m -64.72 -34.4 78.23 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.045 0.938 . . . . 0.0 112.812 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -63.46 -35.82 81.7 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.209 1.368 . . . . 0.0 112.45 170.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -70.26 -42.56 71.99 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.568 0.747 . . . . 0.0 111.169 172.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.45 -42.13 94.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 124.51 1.124 . . . . 0.0 110.971 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.31 -34.35 72.22 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.244 1.018 . . . . 0.0 112.912 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -72.94 -36.7 67.25 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.078 1.351 . . . . 0.0 112.158 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 tt -66.12 -48.02 72.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.304 1.842 . . . . 0.0 112.001 167.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.58 -46.21 87.41 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.502 1.521 . . . . 0.0 110.398 -177.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 84.8 m -61.25 -30.37 70.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.16 1.384 . . . . 0.0 112.911 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.4 t -75.18 -44.27 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 O-C-N 120.534 -1.354 . . . . 0.0 112.019 171.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.3 mt -64.0 -36.32 83.6 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.699 1.136 . . . . 0.0 111.992 176.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 20.3 mmt -61.81 -28.83 69.75 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.613 1.565 . . . . 0.0 113.006 170.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -35.09 66.02 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.656 0.782 . . . . 0.0 111.897 173.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.8 mm -61.85 -40.76 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 O-C-N 121.126 -0.984 . . . . 0.0 109.457 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -61.21 -29.81 70.05 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.507 0.723 . . . . 0.0 112.217 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -76.58 -51.89 10.78 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.512 1.125 . . . . 0.0 112.308 168.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.4 mt -57.02 -41.2 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.53 1.132 . . . . 0.0 112.584 -174.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -92.18 -4.75 53.74 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.139 1.376 . . . . 0.0 114.691 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.5 35.06 80.62 Favored Glycine 0 N--CA 1.476 1.35 0 CA-C-N 119.421 1.009 . . . . 0.0 115.179 -177.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.57 162.9 47.13 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-O 123.502 1.612 . . . . 0.0 114.762 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.71 165.87 12.74 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.812 2.445 . . . . 0.0 114.013 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.3 t -59.62 -35.47 74.44 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.941 1.696 . . . . 0.0 113.868 173.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.7 p -64.91 -44.41 89.66 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 120.828 -1.17 . . . . 0.0 111.966 175.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.5 m -64.76 -32.87 74.75 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.65 1.18 . . . . 0.0 111.834 173.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.9 -37.28 72.98 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.32 1.048 . . . . 0.0 113.263 172.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -59.47 -34.33 72.43 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.595 -1.315 . . . . 0.0 112.504 169.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -75.22 -27.43 59.55 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.547 1.539 . . . . 0.0 113.482 171.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.4 mmt -68.47 -40.52 80.98 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.561 1.073 . . . . 0.0 112.401 166.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -54.34 -42.56 70.35 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.672 0.789 . . . . 0.0 112.01 170.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.0 t -65.06 -35.56 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.001 0.92 . . . . 0.0 112.801 174.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -64.86 -45.69 85.02 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.145 1.339 . . . . 0.0 109.808 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.82 86.92 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.08 -47.01 84.73 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.155 0.982 . . . . 0.0 112.561 175.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -66.99 -27.26 67.29 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 118.412 -0.804 . . . . 0.0 112.997 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 1.663 ' HD1' ' CD2' ' A' ' 47' ' ' PHE . 18.1 t80 -69.37 -48.9 59.83 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.338 -0.839 . . . . 0.0 112.984 173.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . 0.296 0.7 OUTLIER -65.25 -29.35 70.12 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 120.725 1.602 . . . . 0.0 112.668 174.477 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.69 -27.89 64.35 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 173.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.2 -45.37 40.92 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.148 0.885 . . . . 0.0 111.603 171.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.3 tp -71.17 -32.34 68.77 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.147 0.979 . . . . 0.0 112.01 -175.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -56.5 -37.75 70.83 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.862 0.865 . . . . 0.0 112.965 176.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -71.42 -12.91 61.65 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -119.79 10.34 11.6 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 127.221 2.208 . . . . 0.0 114.264 173.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.1 t -67.34 23.55 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 129.139 2.976 . . . . 0.0 116.005 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 m -65.07 -8.0 14.56 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.735 1.614 . . . . 0.0 114.276 -166.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.7 t -137.63 143.86 41.64 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 125.586 1.554 . . . . 0.0 110.278 158.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.5 tttm -58.23 -39.07 78.13 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.563 0.745 . . . . 0.0 111.374 170.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -59.23 -45.82 90.13 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 118.437 0.562 . . . . 0.0 111.441 177.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -69.14 -40.87 77.97 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.529 0.731 . . . . 0.0 112.172 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 1.596 ' HD1' ' CD2' ' A' ' 61' ' ' TYR . 49.8 t80 -58.43 -52.29 66.24 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.744 0.702 . . . . 0.0 110.451 173.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -69.98 -36.45 75.19 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.321 -0.862 . . . . 0.0 112.394 -177.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -67.07 -35.6 80.18 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.338 0.972 . . . . 0.0 111.794 174.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.8 m -76.3 -37.62 57.22 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.513 0.597 . . . . 0.0 112.098 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 94.3 mmm -59.17 -49.05 79.33 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.557 -0.715 . . . . 0.0 110.119 169.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -56.04 -43.51 77.9 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.75 0.82 . . . . 0.0 111.316 172.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.2 t -56.77 -45.28 82.21 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.676 1.191 . . . . 0.0 113.393 176.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -73.97 -38.53 64.16 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.466 -0.772 . . . . 0.0 112.074 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.29 -43.04 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.78 0.832 . . . . 0.0 110.826 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.58 -32.82 66.3 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.932 1.242 . . . . 0.0 112.816 -178.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.16 -46.91 86.86 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.889 -0.507 . . . . 0.0 111.068 167.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 17.8 mmt -68.1 -32.53 72.9 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 175.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.4 ttm-85 -66.21 -39.25 89.48 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.375 1.47 . . . . 0.0 111.257 173.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.1 m -64.17 -45.54 87.95 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.969 0.908 . . . . 0.0 111.134 171.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.9 m -65.64 -37.72 87.34 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.723 1.209 . . . . 0.0 112.58 177.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -58.68 -38.85 79.11 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.372 1.869 . . . . 0.0 111.833 174.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.14 -33.17 61.51 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.686 0.794 . . . . 0.0 111.604 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -63.24 -50.35 70.55 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.377 -0.827 . . . . 0.0 111.464 172.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -56.3 -24.47 43.46 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.936 1.294 . . . . 0.0 112.571 168.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -78.58 -46.65 18.89 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.929 1.24 . . . . 0.0 111.58 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -79.46 -20.32 47.69 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.11 1.364 . . . . 0.0 114.308 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -87.17 -1.36 57.84 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.374 1.47 . . . . 0.0 112.833 164.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.2 m -96.33 -48.57 5.55 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.177 -0.952 . . . . 0.0 111.555 166.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 76.7 t -143.28 126.18 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.308 1.443 . . . . 0.0 109.275 166.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.2 -14.52 4.02 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.961 1.267 . . . . 0.0 114.125 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 C--O 1.255 1.378 0 C-N-CA 125.711 1.604 . . . . 0.0 111.679 179.71 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.9 ttm . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 118.854 -0.593 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -112.66 23.87 13.05 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -171.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 m -50.56 -39.12 48.48 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 120.236 -1.54 . . . . 0.0 114.777 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -67.75 -26.38 66.1 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 178.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -92.28 -14.19 29.23 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.907 2.083 . . . . 0.0 112.48 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.2 m -106.82 25.68 10.99 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.427 1.891 . . . . 0.0 111.198 -168.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.19 130.59 74.69 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 127.427 2.291 . . . . 0.0 111.53 -174.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -53.73 131.51 44.44 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.273 2.649 . . . . 0.0 113.743 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.8 ptp -66.53 -27.1 67.49 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.776 -0.578 . . . . 0.0 112.11 176.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -63.45 -40.77 98.01 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.702 -0.624 . . . . 0.0 112.117 169.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.0 tp-100 -67.7 -40.16 84.35 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.348 -0.845 . . . . 0.0 111.218 177.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 mtm-85 -59.04 -51.32 70.55 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 118.93 0.786 . . . . 0.0 110.494 172.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.2 m -59.48 -31.19 69.12 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -74.72 -34.18 62.54 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.271 1.028 . . . . 0.0 113.242 174.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -70.02 -44.04 70.1 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.36 -0.838 . . . . 0.0 111.188 172.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.0 t -58.0 -37.43 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.573 1.549 . . . . 0.0 110.958 170.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.61 -25.28 64.78 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 119.995 1.271 . . . . 0.0 113.322 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -71.04 -45.14 64.4 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.128 -0.982 . . . . 0.0 110.084 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 tt -57.03 -46.37 82.43 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.863 1.265 . . . . 0.0 111.76 168.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -43.26 91.59 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.27 1.428 . . . . 0.0 111.558 177.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.7 m -63.74 -30.04 71.19 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.678 1.191 . . . . 0.0 112.475 177.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.3 t -75.18 -41.8 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.231 1.013 . . . . 0.0 112.261 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.38 -35.09 77.18 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.828 1.195 . . . . 0.0 112.759 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 10.2 mmt -53.44 -39.98 64.84 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.057 1.743 . . . . 0.0 111.253 165.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -39.17 89.38 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.827 0.451 . . . . 0.0 111.718 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mm -64.19 -40.35 88.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 118.794 0.725 . . . . 0.0 109.898 174.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -64.18 -42.49 96.67 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 122.932 0.493 . . . . 0.0 111.059 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -69.07 -40.72 78.3 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.231 -0.918 . . . . 0.0 112.76 172.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.3 mt -59.73 -41.26 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.923 0.889 . . . . 0.0 111.61 176.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -78.78 -26.36 44.46 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 173.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.55 43.74 35.66 Favored Glycine 0 N--CA 1.47 0.924 0 CA-C-N 119.256 0.935 . . . . 0.0 112.562 -164.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.49 146.4 49.71 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.999 1.285 . . . . 0.0 113.642 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.13 156.2 32.41 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.628 1.971 . . . . 0.0 112.66 174.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.6 t -64.6 -20.35 66.21 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.681 -1.262 . . . . 0.0 113.55 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.2 p -68.52 -41.39 80.01 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 120.559 -1.338 . . . . 0.0 111.92 167.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.4 m -67.58 -38.78 84.55 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.261 1.424 . . . . 0.0 111.024 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.36 -44.64 92.67 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.565 0.746 . . . . 0.0 111.487 170.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -63.73 -33.66 76.14 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.918 -1.114 . . . . 0.0 113.565 174.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -77.72 -29.73 51.4 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -29.53 57.74 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.612 1.551 . . . . 0.0 112.351 171.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -56.35 -42.47 77.8 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 120.941 -1.1 . . . . 0.0 112.125 166.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.2 t -65.62 -29.7 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 125.215 1.406 . . . . 0.0 113.098 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -71.27 -39.86 71.3 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.895 1.278 . . . . 0.0 110.392 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.0 83.73 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.08 0.552 . . . . 0.0 111.982 171.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -60.57 -36.68 79.11 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.811 0.844 . . . . 0.0 112.921 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 t -68.27 -39.11 82.29 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.524 0.73 . . . . 0.0 112.063 174.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 1.663 ' HE1' ' CE2' ' A' ' 47' ' ' PHE . 39.7 t80 -64.64 -45.48 86.63 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.046 0.839 . . . . 0.0 112.057 173.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.74 -56.26 21.2 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 126.219 1.807 . . . . 0.0 111.73 178.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.96 -31.69 72.97 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.372 1.469 . . . . 0.0 113.556 -177.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.62 -36.92 60.11 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.012 0.525 . . . . 0.0 111.323 175.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.3 tp -76.12 -37.99 57.39 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.517 0.727 . . . . 0.0 112.347 178.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -58.76 -24.53 61.81 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.935 1.294 . . . . 0.0 112.435 171.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -69.95 -21.7 63.24 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.086 -1.634 . . . . 0.0 114.485 172.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.97 11.69 11.82 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 116.098 1.888 . . . . 0.0 116.098 176.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.4 p -69.3 19.26 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 118.088 2.625 . . . . 0.0 118.088 -174.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.4 p -64.46 -6.95 8.31 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 -167.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.4 m -128.63 136.44 50.68 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.053 0.941 . . . . 0.0 109.493 152.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.3 tttm -57.24 -36.12 70.55 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.944 1.298 . . . . 0.0 111.67 176.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.56 -39.13 72.94 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.584 0.753 . . . . 0.0 112.73 175.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -77.69 -39.92 43.2 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.475 1.034 . . . . 0.0 112.165 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 1.664 ' HE2' ' CE1' ' A' ' 61' ' ' TYR . 59.7 t80 -58.24 -47.51 83.32 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.538 0.608 . . . . 0.0 110.45 171.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -63.26 -48.97 75.96 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.533 -0.729 . . . . 0.0 111.659 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -61.43 -38.64 87.88 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.681 1.128 . . . . 0.0 113.133 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.2 m -73.66 -40.74 63.48 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.71 -0.619 . . . . 0.0 111.13 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.2 mmt -56.43 -50.01 72.89 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 119.014 -0.517 . . . . 0.0 110.697 168.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -48.03 78.43 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.304 1.041 . . . . 0.0 111.266 177.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.3 m -60.37 -45.75 92.42 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.692 1.197 . . . . 0.0 112.696 -178.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -75.25 -36.51 61.25 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.504 0.722 . . . . 0.0 112.714 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.4 mt -59.61 -44.93 94.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 119.008 0.822 . . . . 0.0 109.935 170.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.59 -37.61 88.15 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.795 1.179 . . . . 0.0 113.166 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.53 91.33 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.694 -0.629 . . . . 0.0 111.757 170.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.6 mmt -75.09 -36.39 61.73 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 120.816 -1.177 . . . . 0.0 113.343 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -57.04 -48.66 77.98 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.703 1.201 . . . . 0.0 110.341 167.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.6 m -60.46 -35.44 75.88 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.597 0.759 . . . . 0.0 111.829 173.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.4 m -68.52 -32.09 71.79 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 117.362 -1.304 . . . . 0.0 112.349 176.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -49.96 -47.33 52.66 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 121.246 1.839 . . . . 0.0 111.909 171.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.18 -41.65 76.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 113.879 -1.51 . . . . 0.0 110.807 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -63.86 -51.62 63.8 Favored 'General case' 0 CA--C 1.511 -0.531 0 O-C-N 121.823 -0.548 . . . . 0.0 112.063 175.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 50.5 mmt-85 -60.14 -20.38 58.17 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.101 0.96 . . . . 0.0 112.233 173.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -80.03 -43.79 21.27 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 119.635 1.107 . . . . 0.0 111.396 174.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -71.05 -27.77 63.89 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.888 1.275 . . . . 0.0 113.058 176.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.9 -18.31 62.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.676 1.991 . . . . 0.0 113.229 164.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 71.4 m -98.74 -8.39 26.12 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 40.3 t 65.22 -21.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 N-CA-C 117.616 2.45 . . . . 0.0 117.616 162.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.98 -7.09 14.76 Favored Glycine 0 CA--C 1.539 1.536 0 N-CA-C 117.081 1.592 . . . . 0.0 117.081 -173.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.253 1.269 0 C-N-CA 127.832 2.453 . . . . 0.0 115.731 162.117 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.438 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.1 OUTLIER . . . . . 0 CA--C 1.551 0.986 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 7' ' ' ILE . 39.5 Cg_exo -61.96 138.53 74.0 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.428 2.752 . . . . 0.0 114.001 -175.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 53.7 ttm -62.11 -32.68 73.28 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.171 -0.956 . . . . 0.0 111.825 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.4 p80 -60.81 -34.87 75.2 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 120.145 1.339 . . . . 0.0 112.807 174.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -71.28 -43.8 66.46 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.416 1.086 . . . . 0.0 111.697 173.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -58.68 -50.38 74.1 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.59 -0.694 . . . . 0.0 110.799 174.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.0 m -58.68 -34.76 71.64 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 118.435 -0.793 . . . . 0.0 113.018 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -70.27 -31.78 69.3 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.804 1.184 . . . . 0.0 112.673 176.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -77.57 -45.51 25.08 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.658 1.183 . . . . 0.0 113.122 174.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.3 t -53.14 -35.72 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 126.217 1.807 . . . . 0.0 110.76 168.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.49 -22.64 65.45 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.24 -37.53 60.99 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 120.177 -1.577 . . . . 0.0 112.663 171.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.57 -46.3 90.48 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.77 1.628 . . . . 0.0 111.156 167.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -49.0 64.55 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.983 1.713 . . . . 0.0 111.17 177.265 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.9 m -61.46 -35.13 76.74 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.583 1.153 . . . . 0.0 113.108 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.1 t -72.51 -37.94 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 119.141 0.882 . . . . 0.0 111.486 174.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.3 mt -68.64 -38.31 80.39 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.565 1.075 . . . . 0.0 111.883 174.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 21.5 mmt -60.38 -33.49 72.54 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.012 1.325 . . . . 0.0 112.452 171.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.36 -32.95 74.85 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.869 1.268 . . . . 0.0 112.17 170.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.8 mm -67.06 -38.96 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 O-C-N 120.43 -1.419 . . . . 0.0 109.76 173.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -66.42 -28.93 69.0 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -69.87 -55.34 10.0 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.059 1.344 . . . . 0.0 111.941 166.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.7 mt -65.02 -37.06 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.978 1.311 . . . . 0.0 112.82 -172.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -88.58 -8.41 54.78 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.188 0.995 . . . . 0.0 113.442 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 60.64 51.7 57.06 Favored Glycine 0 C--N 1.339 0.728 0 C-N-CA 125.34 1.448 . . . . 0.0 114.842 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.77 -170.06 45.17 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-O 122.752 1.196 . . . . 0.0 114.703 172.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -107.2 164.19 12.38 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.785 2.434 . . . . 0.0 114.007 -171.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.3 t -51.32 -39.27 56.58 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.074 1.75 . . . . 0.0 114.17 171.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.3 p -71.57 -31.53 67.07 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.385 1.074 . . . . 0.0 112.478 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.1 m -71.89 -31.35 66.33 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.084 0.954 . . . . 0.0 110.914 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.17 -32.74 73.21 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.281 1.032 . . . . 0.0 112.339 167.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -64.44 -40.53 95.92 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.536 -1.352 . . . . 0.0 112.341 166.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -59.05 -36.7 75.48 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.532 1.06 . . . . 0.0 112.891 168.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.1 mmt -61.45 -41.74 97.68 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 120.163 1.347 . . . . 0.0 112.312 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -59.64 -44.52 93.49 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 121.88 -0.512 . . . . 0.0 111.728 173.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.8 t -63.26 -36.02 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.504 1.122 . . . . 0.0 112.158 176.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -68.6 -43.73 75.81 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 124.459 1.104 . . . . 0.0 109.789 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.68 -47.89 83.29 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -70.48 -23.98 62.78 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.3 t -76.21 -41.73 48.44 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.969 0.804 . . . . 0.0 111.633 167.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -59.45 -45.56 91.26 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.616 0.766 . . . . 0.0 112.046 174.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -53.23 -55.4 24.73 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.221 1.809 . . . . 0.0 111.311 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.4 -33.95 76.67 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.377 1.471 . . . . 0.0 112.918 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.74 -26.65 34.35 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.255 1.022 . . . . 0.0 112.465 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.4 tp -74.25 -35.82 63.83 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.95 0.9 . . . . 0.0 111.091 168.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -59.38 -30.05 68.14 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.66 0.784 . . . . 0.0 112.42 174.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.55 -25.7 68.36 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 120.579 -1.326 . . . . 0.0 114.083 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.262 53.6 pttt -118.2 11.32 13.17 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 127.252 2.221 . . . . 0.0 115.059 -175.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 94.7 p -53.03 18.22 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 131.627 3.971 . . . . 0.0 120.41 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 57.9 m -61.37 -5.19 1.54 Allowed 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 117.929 2.566 . . . . 0.0 117.929 -160.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 t -145.72 151.48 38.07 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.454 1.501 . . . . 0.0 109.342 157.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -57.57 -38.56 75.02 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.568 -0.708 . . . . 0.0 111.291 170.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -69.79 -24.28 63.47 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 176.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -79.99 -39.23 30.47 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.618 -1.301 . . . . 0.0 111.594 173.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -60.27 -51.33 70.01 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.751 0.705 . . . . 0.0 110.389 169.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -63.62 -45.35 90.71 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.784 0.834 . . . . 0.0 112.888 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -72.07 -36.94 69.7 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.788 1.176 . . . . 0.0 112.305 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.2 m -66.45 -37.73 85.79 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.234 0.924 . . . . 0.0 111.931 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 62.3 tpp -60.7 -48.19 82.9 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.457 0.703 . . . . 0.0 110.881 171.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.49 -44.57 85.03 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.25 1.02 . . . . 0.0 111.294 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.7 m -72.09 -26.03 61.99 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.443 1.097 . . . . 0.0 113.746 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -73.88 -41.25 62.45 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.831 0.852 . . . . 0.0 111.16 170.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.2 mt -59.03 -43.98 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 124.208 1.003 . . . . 0.0 110.125 170.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -60.59 -39.92 89.85 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.182 1.393 . . . . 0.0 113.628 174.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.61 81.81 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.626 -0.671 . . . . 0.0 112.216 175.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.7 mmt -75.39 -38.12 60.12 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.352 -0.843 . . . . 0.0 112.427 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.6 -52.17 60.69 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.862 1.665 . . . . 0.0 110.044 167.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.8 m -62.51 -33.48 74.98 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.008 0.523 . . . . 0.0 111.389 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.9 m -68.94 -33.43 73.71 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 117.325 -1.322 . . . . 0.0 112.683 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -51.81 -45.82 64.02 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 121.598 1.999 . . . . 0.0 111.644 169.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -68.17 -37.65 81.2 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 114.522 -1.217 . . . . 0.0 111.642 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -65.29 -50.91 63.89 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.049 1.34 . . . . 0.0 112.772 176.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.3 mmt-85 -59.17 -20.39 53.39 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.307 172.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -79.25 -38.39 35.67 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.117 0.871 . . . . 0.0 112.049 173.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -64.43 -43.2 95.07 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.276 -0.89 . . . . 0.0 111.159 173.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -69.37 -18.56 63.8 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.363 1.465 . . . . 0.0 114.445 174.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.478 0.948 0 CA-C-N 119.267 0.94 . . . . 0.0 113.377 -179.087 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.55 0.95 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_exo -60.97 139.9 87.26 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.151 1.901 . . . . 0.0 113.081 -171.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 51.3 ttm -61.6 -31.08 71.13 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.157 0.583 . . . . 0.0 112.144 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -60.75 -44.76 96.31 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 169.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -69.93 -40.13 75.7 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.868 0.758 . . . . 0.0 112.105 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -55.45 -54.9 38.03 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 122.887 0.475 . . . . 0.0 111.236 170.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.0 m -58.24 -38.13 76.25 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.901 0.481 . . . . 0.0 112.188 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -67.76 -27.99 67.24 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.359 1.464 . . . . 0.0 113.57 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -77.66 -46.8 20.91 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.835 1.254 . . . . 0.0 112.552 169.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.4 t -56.51 -41.87 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.679 1.192 . . . . 0.0 110.313 173.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.4 72.61 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 119.375 0.989 . . . . 0.0 112.996 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -70.09 -36.4 74.87 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.729 1.212 . . . . 0.0 111.418 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tt -69.25 -47.93 63.28 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.713 2.005 . . . . 0.0 112.335 168.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -44.4 95.43 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.692 1.197 . . . . 0.0 110.405 -174.225 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.9 m -57.81 -37.05 73.08 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.855 0.862 . . . . 0.0 111.6 175.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -72.41 -41.97 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.8 0.84 . . . . 0.0 111.786 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.5 mt -66.61 -36.63 83.05 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.63 1.104 . . . . 0.0 111.944 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.4 mmt -61.18 -36.12 79.0 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.92 1.288 . . . . 0.0 111.671 170.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -37.23 85.89 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.53 0.732 . . . . 0.0 111.869 171.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 mm -65.7 -43.58 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 121.049 -1.032 . . . . 0.0 109.331 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -65.71 -41.29 92.47 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 122.952 0.501 . . . . 0.0 112.146 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -63.87 -50.79 67.44 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.204 1.002 . . . . 0.0 112.156 173.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 91.2 mt -70.6 -44.12 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.753 0.821 . . . . 0.0 111.218 -174.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -78.93 -21.65 46.95 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.204 -0.935 . . . . 0.0 112.773 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.35 51.11 34.03 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 124.41 1.005 . . . . 0.0 113.532 176.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.67 178.35 53.26 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 159.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -83.5 167.95 16.93 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.148 0.979 . . . . 0.0 112.793 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -65.46 -21.69 66.67 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.503 0.721 . . . . 0.0 112.5 172.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.2 p -68.7 -39.87 80.29 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.163 -1.586 . . . . 0.0 111.808 167.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -63.65 -35.31 80.11 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.251 -0.905 . . . . 0.0 111.344 170.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.88 95.56 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.98 0.912 . . . . 0.0 112.672 174.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -62.6 -39.46 93.8 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 121.134 -0.979 . . . . 0.0 111.845 170.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -59.57 -30.25 68.51 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.753 -1.217 . . . . 0.0 113.681 169.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.0 mmt -72.14 -38.03 69.31 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.759 1.163 . . . . 0.0 112.437 171.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.26 -44.34 83.85 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 118.868 0.758 . . . . 0.0 111.709 169.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.34 -41.6 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.271 1.029 . . . . 0.0 111.702 172.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -39.69 86.32 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.118 0.872 . . . . 0.0 110.155 -178.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.14 -48.78 64.45 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.91 0.884 . . . . 0.0 112.772 177.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.78 -34.73 78.84 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.843 0.857 . . . . 0.0 112.392 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.2 t -68.37 -40.64 81.38 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.278 1.031 . . . . 0.0 112.877 171.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -58.12 -44.13 87.58 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.543 0.737 . . . . 0.0 111.975 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.09 -54.35 36.9 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.444 0.64 . . . . 0.0 111.562 172.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.13 -28.47 65.4 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.516 1.126 . . . . 0.0 113.682 -171.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.95 -42.17 27.56 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.328 1.051 . . . . 0.0 111.44 172.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.1 tp -69.89 -31.83 69.85 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.327 -0.858 . . . . 0.0 112.169 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -64.3 -30.62 71.66 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.196 0.999 . . . . 0.0 113.127 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -60.15 -38.66 83.82 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.288 1.035 . . . . 0.0 111.308 170.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -94.67 -0.49 54.34 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.309 1.844 . . . . 0.0 113.839 -175.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 t -64.15 20.53 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 129.037 2.935 . . . . 0.0 116.145 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.4 m -62.42 -14.29 38.98 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.03 1.332 . . . . 0.0 113.535 -171.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.8 t -134.82 137.48 43.36 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.67 1.588 . . . . 0.0 107.979 157.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.4 tttm -71.09 -29.91 65.89 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.897 0.879 . . . . 0.0 111.704 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -53.47 -45.14 69.48 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.56 0.744 . . . . 0.0 110.823 170.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -72.81 -41.94 64.38 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.504 0.722 . . . . 0.0 112.629 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -58.25 -53.0 63.21 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.991 0.916 . . . . 0.0 110.992 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -64.9 -44.7 88.71 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 122.952 0.501 . . . . 0.0 111.331 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -59.84 -41.37 91.22 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.024 0.929 . . . . 0.0 111.813 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.8 m -72.77 -44.49 61.51 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.37 0.668 . . . . 0.0 111.793 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 38.4 ttm -59.49 -46.65 88.19 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.286 0.494 . . . . 0.0 111.063 174.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -39.36 93.92 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.215 0.461 . . . . 0.0 112.212 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.1 m -71.63 -32.68 68.22 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.286 -0.883 . . . . 0.0 113.333 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -75.49 -38.61 59.41 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 118.81 -0.614 . . . . 0.0 112.384 171.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.4 mt -56.64 -48.3 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 118.944 0.793 . . . . 0.0 110.458 171.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -64.5 -40.45 95.67 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.236 0.925 . . . . 0.0 112.777 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.28 92.09 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.663 -0.648 . . . . 0.0 112.255 176.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.7 mmm -77.06 -32.91 57.15 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.082 -1.011 . . . . 0.0 112.517 177.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -63.82 -37.87 89.0 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.467 1.507 . . . . 0.0 112.13 170.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.1 m -72.35 -26.76 62.04 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.53 0.732 . . . . 0.0 112.826 167.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.9 m -71.93 -29.86 64.73 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 120.749 -1.219 . . . . 0.0 112.765 175.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -49.92 -48.43 51.78 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 120.258 1.39 . . . . 0.0 111.772 170.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -67.2 -33.65 75.82 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 126.184 1.794 . . . . 0.0 111.074 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -65.79 -48.39 71.92 Favored 'General case' 0 CA--C 1.518 -0.283 0 O-C-N 121.177 -0.952 . . . . 0.0 112.046 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 75.3 mmt-85 -60.29 -22.37 63.06 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.527 0.731 . . . . 0.0 112.773 172.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -79.78 -40.83 27.83 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.699 0.799 . . . . 0.0 111.491 173.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -71.67 -33.48 68.89 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.21 1.404 . . . . 0.0 112.585 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -67.7 -28.16 67.43 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.922 1.289 . . . . 0.0 112.405 166.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.477 0.911 0 CA-C-N 118.55 0.614 . . . . 0.0 111.836 172.061 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.552 1.022 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -65.97 141.46 64.57 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.408 2.072 . . . . 0.0 113.324 -173.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.4 ptt? -60.34 -30.76 69.73 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.345 -0.847 . . . . 0.0 111.938 171.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -66.7 -33.24 75.19 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.009 0.822 . . . . 0.0 113.14 173.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 73.9 tp60 -69.29 -42.92 74.82 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.337 0.655 . . . . 0.0 110.811 173.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 mtm-85 -59.47 -48.98 79.55 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.256 0.48 . . . . 0.0 110.677 173.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 m -58.01 -33.62 69.14 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 175.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -73.11 -38.08 66.47 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.54 1.136 . . . . 0.0 112.543 176.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -67.02 -43.98 81.45 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.774 0.83 . . . . 0.0 111.009 173.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.41 -40.42 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 124.602 1.161 . . . . 0.0 110.417 170.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.87 85.76 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.719 1.145 . . . . 0.0 113.15 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.11 -47.7 78.99 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.422 1.01 . . . . 0.0 111.513 170.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tt -57.48 -49.93 74.69 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.059 0.944 . . . . 0.0 111.784 176.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -43.83 97.34 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.605 1.562 . . . . 0.0 110.447 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.4 m -64.63 -33.02 74.94 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.17 0.988 . . . . 0.0 112.418 177.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.5 t -74.6 -41.08 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.942 0.897 . . . . 0.0 111.616 172.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.6 mt -65.33 -37.2 86.36 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.911 1.232 . . . . 0.0 112.363 174.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.5 mmt -60.49 -31.67 70.69 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.082 1.353 . . . . 0.0 111.597 168.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.68 -35.19 74.9 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.167 -0.958 . . . . 0.0 112.518 170.086 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.9 mm -63.76 -42.6 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-N 120.278 1.399 . . . . 0.0 109.459 173.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.54 -43.92 97.99 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.948 0.899 . . . . 0.0 111.667 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -68.22 -29.88 68.82 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.724 1.209 . . . . 0.0 113.954 174.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.6 mt -79.87 -38.03 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.43 1.013 . . . . 0.0 111.374 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -78.54 -21.33 48.94 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 119.256 0.935 . . . . 0.0 113.252 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.25 51.49 9.96 Favored Glycine 0 N--CA 1.469 0.836 0 O-C-N 121.662 -0.649 . . . . 0.0 111.537 -169.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.32 151.36 29.69 Favored Glycine 0 CA--C 1.53 1.002 0 CA-C-O 122.814 1.23 . . . . 0.0 114.6 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.23 158.3 36.12 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.538 1.935 . . . . 0.0 113.705 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.2 t -59.3 -30.24 68.19 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.158 0.983 . . . . 0.0 113.501 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.4 p -76.86 -33.86 57.86 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 121.158 -0.964 . . . . 0.0 112.46 173.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -66.69 -31.32 71.91 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.252 -1.53 . . . . 0.0 111.15 169.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.42 -30.75 69.71 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 121.138 -0.976 . . . . 0.0 112.298 170.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.46 -42.06 92.69 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.941 -1.099 . . . . 0.0 112.535 167.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -60.4 -34.35 73.79 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.556 0.946 . . . . 0.0 113.556 171.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.5 mmt -64.78 -41.15 96.06 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.574 1.079 . . . . 0.0 112.364 174.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -58.31 -43.38 88.1 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.79 0.436 . . . . 0.0 111.164 172.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.38 -41.72 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.187 0.995 . . . . 0.0 112.305 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -65.97 -42.68 89.57 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 119.393 0.997 . . . . 0.0 110.371 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.76 94.6 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.005 0.522 . . . . 0.0 112.359 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -71.2 -37.86 72.09 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.156 0.982 . . . . 0.0 112.142 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 84.1 p -73.64 -35.43 65.28 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.382 0.992 . . . . 0.0 112.913 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -55.11 -52.55 62.9 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.744 0.818 . . . . 0.0 111.86 171.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -40.04 75.87 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.46 -30.9 70.89 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.283 0.947 . . . . 0.0 112.849 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.2 -44.19 22.36 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.101 0.96 . . . . 0.0 111.802 173.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.0 tp -65.38 -29.48 70.2 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 120.651 -1.28 . . . . 0.0 112.275 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -63.24 -32.47 73.88 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.854 1.262 . . . . 0.0 112.484 173.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -72.93 -15.78 61.56 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.627 -1.295 . . . . 0.0 114.235 170.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -97.52 -2.82 41.05 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.16 1.784 . . . . 0.0 114.058 173.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.9 p -66.38 21.1 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 127.879 2.472 . . . . 0.0 116.498 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.8 p -62.05 -15.55 45.5 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 120.551 -1.343 . . . . 0.0 113.162 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.9 m -128.89 142.37 50.98 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.227 2.211 . . . . 0.0 109.716 158.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.6 tttm -63.02 -38.84 92.79 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.794 1.238 . . . . 0.0 111.021 171.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.85 -39.85 86.56 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.343 0.657 . . . . 0.0 112.467 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -72.48 -38.47 68.19 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.082 1.31 . . . . 0.0 112.501 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -60.83 -50.98 71.26 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 117.975 0.352 . . . . 0.0 110.16 171.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.33 -46.95 78.24 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.601 -0.687 . . . . 0.0 112.132 -177.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -69.57 -37.15 76.87 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.781 0.719 . . . . 0.0 111.921 -172.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 m -72.84 -42.05 64.18 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.437 0.695 . . . . 0.0 111.356 176.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -54.33 -52.15 62.45 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.23 1.012 . . . . 0.0 111.244 171.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -66.58 -33.14 75.01 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.9 t -66.62 -45.96 77.41 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.705 0.802 . . . . 0.0 111.601 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -75.58 -32.77 60.48 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 176.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.9 mt -62.86 -45.18 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 119.73 1.15 . . . . 0.0 110.248 169.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.21 -40.03 84.53 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.407 1.003 . . . . 0.0 112.103 172.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.47 -40.34 93.06 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.37 0.986 . . . . 0.0 113.141 177.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.6 mmt -73.72 -39.18 64.5 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 121.282 -0.886 . . . . 0.0 112.407 176.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -67.57 -30.74 70.44 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.262 1.425 . . . . 0.0 111.513 174.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.8 m -69.98 -39.36 75.99 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.772 0.829 . . . . 0.0 111.885 165.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 53.1 m -65.04 -33.53 76.26 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 117.843 -1.075 . . . . 0.0 112.976 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -48.76 -48.36 41.03 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 120.556 1.525 . . . . 0.0 112.896 175.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -69.68 -29.01 66.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.655 -175.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -76.46 -43.4 40.11 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.436 1.094 . . . . 0.0 112.662 173.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -53.99 -23.75 14.37 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.312 1.045 . . . . 0.0 112.989 170.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.65 -22.95 46.09 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 174.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -71.34 -28.64 64.22 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.737 1.615 . . . . 0.0 112.304 173.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.94 -22.97 65.92 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.947 0.899 . . . . 0.0 111.954 169.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 N--CA 1.477 0.892 0 C-N-CA 124.825 1.25 . . . . 0.0 114.135 176.167 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.1 OUTLIER . . . . . 0 CA--C 1.552 1.02 0 CA-C-O 119.188 -0.435 . . . . 0.0 111.666 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 7' ' ' ILE . 51.7 Cg_exo -62.05 136.61 61.9 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.779 2.986 . . . . 0.0 114.027 -176.345 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.7 ptm -61.29 -31.14 70.97 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.583 -0.698 . . . . 0.0 112.16 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -62.22 -39.45 92.83 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.387 -0.821 . . . . 0.0 111.795 173.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -71.54 -39.02 70.97 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.551 0.74 . . . . 0.0 111.486 176.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.3 mtm105 -59.4 -44.91 92.74 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 118.45 -0.786 . . . . 0.0 111.197 171.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.9 m -62.2 -35.92 80.35 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.389 0.676 . . . . 0.0 112.644 174.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -70.14 -35.29 73.94 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.006 -1.059 . . . . 0.0 112.297 176.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -71.62 -33.65 69.15 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.44 0.696 . . . . 0.0 112.352 171.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.78 -35.69 66.07 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 124.71 1.204 . . . . 0.0 111.433 167.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.55 -36.52 80.84 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 120.129 1.331 . . . . 0.0 113.081 -176.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -64.31 -44.63 90.98 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.373 1.069 . . . . 0.0 111.899 173.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tt -62.65 -43.4 98.91 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.329 1.451 . . . . 0.0 111.57 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -43.0 93.8 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.174 1.389 . . . . 0.0 110.521 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.1 m -58.26 -38.95 77.94 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.073 0.949 . . . . 0.0 112.534 174.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 t -73.37 -38.98 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.365 1.066 . . . . 0.0 112.138 176.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.9 mt -71.3 -36.82 71.79 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.904 1.229 . . . . 0.0 112.699 176.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.5 mmt -55.52 -42.8 75.03 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.292 1.037 . . . . 0.0 111.136 166.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.46 -36.96 79.5 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.676 0.79 . . . . 0.0 112.701 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.9 mm -60.89 -45.24 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 120.217 1.372 . . . . 0.0 109.261 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -67.94 -38.0 82.29 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.326 0.651 . . . . 0.0 112.144 -174.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -71.82 -48.95 42.74 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.145 0.978 . . . . 0.0 111.817 173.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.34 -48.47 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.741 0.817 . . . . 0.0 111.358 -176.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -93.84 9.27 37.95 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -172.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.64 39.84 77.68 Favored Glycine 0 N--CA 1.471 1.008 0 O-C-N 121.203 -0.935 . . . . 0.0 115.3 173.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.2 152.1 47.91 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 122.106 0.836 . . . . 0.0 113.326 174.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -67.3 157.51 33.76 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.811 1.644 . . . . 0.0 112.152 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -65.78 -22.48 66.58 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.743 -1.223 . . . . 0.0 112.945 173.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.9 p -74.3 -34.63 63.57 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.234 -1.541 . . . . 0.0 112.073 166.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.0 m -63.85 -39.8 95.06 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 120.737 -1.227 . . . . 0.0 110.657 168.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.8 84.73 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.354 1.062 . . . . 0.0 112.371 171.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -65.77 -39.1 90.69 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.002 -1.061 . . . . 0.0 112.34 172.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -66.45 -29.25 69.34 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 120.817 -1.177 . . . . 0.0 113.218 171.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.4 mmt -64.04 -43.47 95.44 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.697 1.135 . . . . 0.0 111.808 168.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -57.57 -45.17 85.53 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 118.967 0.803 . . . . 0.0 111.377 174.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.7 t -61.56 -42.7 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.498 1.119 . . . . 0.0 112.321 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -68.09 -40.73 82.57 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.407 1.083 . . . . 0.0 110.564 -178.051 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.25 -46.93 81.63 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.528 0.731 . . . . 0.0 111.796 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -71.49 -26.57 62.75 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.779 1.232 . . . . 0.0 112.504 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.5 t -69.9 -32.47 70.81 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.255 1.422 . . . . 0.0 113.101 169.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -71.47 -44.46 64.71 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -176.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.65 -36.11 77.87 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.552 1.069 . . . . 0.0 112.136 173.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.96 -26.0 65.72 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.1 0.96 . . . . 0.0 113.209 178.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.35 -43.02 21.85 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.177 0.991 . . . . 0.0 112.189 167.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.2 tp -71.59 -27.67 63.29 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.484 -0.76 . . . . 0.0 112.761 -175.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -57.21 -32.96 67.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.016 0.926 . . . . 0.0 112.345 173.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -70.57 -17.96 62.91 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -97.43 -7.16 32.29 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.321 1.848 . . . . 0.0 114.091 174.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.9 t -66.41 22.2 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 128.523 2.729 . . . . 0.0 117.743 -167.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.2 p -60.51 -12.89 11.04 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.0 m -140.62 137.97 34.03 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.25 0.932 . . . . 0.0 109.833 158.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -58.13 -33.9 69.65 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.265 0.626 . . . . 0.0 112.138 174.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -63.08 -35.43 80.22 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.684 1.194 . . . . 0.0 111.883 176.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.82 -36.53 50.07 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.277 1.031 . . . . 0.0 112.03 175.14 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -60.49 -50.16 74.67 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.636 -0.665 . . . . 0.0 110.619 170.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -63.51 -43.53 96.95 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.502 1.121 . . . . 0.0 112.323 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -60.35 -45.24 94.16 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.498 0.719 . . . . 0.0 111.66 172.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.7 m -73.41 -35.38 65.85 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.782 -0.574 . . . . 0.0 111.829 -174.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 67.8 mmm -56.99 -50.8 71.59 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.77 0.714 . . . . 0.0 111.255 167.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -58.46 -43.07 88.71 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.498 1.119 . . . . 0.0 111.733 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 t -64.22 -42.65 96.5 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.962 1.305 . . . . 0.0 113.073 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -43.8 86.78 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.031 0.932 . . . . 0.0 111.317 173.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.89 -38.92 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 124.592 1.157 . . . . 0.0 111.38 176.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -63.01 -42.17 99.75 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.868 1.213 . . . . 0.0 112.063 174.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.2 -35.73 81.76 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 176.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.4 mtt -77.3 -33.08 55.74 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.291 1.036 . . . . 0.0 113.094 175.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 36.9 mtt-85 -59.77 -45.78 91.22 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.54 1.136 . . . . 0.0 110.83 168.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.9 m -57.98 -32.38 67.82 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.954 0.902 . . . . 0.0 112.168 172.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.2 m -69.53 -46.61 66.1 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 117.519 -1.229 . . . . 0.0 112.131 171.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -50.06 -46.21 53.01 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 120.638 1.563 . . . . 0.0 111.155 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -68.21 -35.97 78.79 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.277 1.831 . . . . 0.0 111.843 -174.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -70.68 -51.57 26.84 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.828 0.823 . . . . 0.0 112.218 173.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -56.92 -17.46 9.66 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.193 -1.367 . . . . 0.0 113.003 173.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -75.21 -50.56 15.82 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 118.747 0.703 . . . . 0.0 111.125 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -79.07 -31.88 44.6 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -170.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.56 -16.78 64.37 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 166.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.474 0.765 0 C-N-CA 123.614 0.766 . . . . 0.0 111.959 171.83 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.551 1.01 0 CA-C-O 119.074 -0.488 . . . . 0.0 111.637 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -51.14 134.17 42.95 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 124.579 3.519 . . . . 0.0 115.999 -167.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -34.45 55.62 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.287 1.035 . . . . 0.0 113.24 175.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -67.61 -37.9 83.18 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 174.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -70.99 -34.8 71.72 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.686 -1.258 . . . . 0.0 112.082 172.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 71.6 mtm-85 -63.56 -44.26 94.65 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.905 0.775 . . . . 0.0 111.18 172.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.8 m -66.22 -28.69 68.93 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.061 0.944 . . . . 0.0 113.175 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -69.24 -42.72 75.28 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.474 1.11 . . . . 0.0 111.987 171.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -61.59 -43.2 99.3 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.974 0.806 . . . . 0.0 111.79 172.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.7 t -57.64 -35.96 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 124.594 1.157 . . . . 0.0 111.219 174.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.66 74.99 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.494 1.043 . . . . 0.0 113.362 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -65.57 -41.84 92.44 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.469 -0.77 . . . . 0.0 111.674 172.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.95 -46.54 84.22 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.444 1.498 . . . . 0.0 111.69 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -47.24 71.59 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 124.674 1.19 . . . . 0.0 111.534 175.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.9 m -66.55 -30.67 71.03 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.081 0.953 . . . . 0.0 112.132 -177.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.5 t -74.53 -46.06 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 118.564 -0.732 . . . . 0.0 111.306 170.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.426 ' HA ' HG12 ' A' ' 26' ' ' ILE . 38.9 mt -66.52 -33.36 75.51 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.057 1.298 . . . . 0.0 112.874 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 70.5 mmm -59.18 -37.3 77.03 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.014 1.325 . . . . 0.0 111.468 166.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -39.64 93.19 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.214 0.606 . . . . 0.0 111.995 171.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.426 HG12 ' HA ' ' A' ' 23' ' ' LEU . 23.8 mm -62.38 -45.82 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 119.274 0.943 . . . . 0.0 108.823 176.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -65.71 -35.99 82.33 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -71.34 -42.46 68.49 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.329 1.052 . . . . 0.0 112.331 177.183 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.0 mt -68.3 -40.91 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.458 1.103 . . . . 0.0 110.669 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -72.2 -25.81 61.81 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.874 0.869 . . . . 0.0 113.218 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.06 51.05 36.04 Favored Glycine 0 CA--C 1.526 0.777 0 CA-C-N 119.331 0.969 . . . . 0.0 112.533 -173.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.13 -160.74 25.25 Favored Glycine 0 CA--C 1.535 1.328 0 CA-C-O 121.962 0.757 . . . . 0.0 112.974 165.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -117.83 168.25 10.65 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.505 2.322 . . . . 0.0 112.112 -170.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 t -59.54 -28.93 67.53 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.649 1.179 . . . . 0.0 112.49 168.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.9 m -69.22 -40.05 78.21 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.202 1.001 . . . . 0.0 111.676 169.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 m -67.65 -35.57 79.12 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.114 -0.991 . . . . 0.0 111.073 175.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.07 95.24 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.947 0.899 . . . . 0.0 112.077 171.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -62.25 -43.35 99.02 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.181 0.901 . . . . 0.0 112.592 170.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -61.74 -30.79 71.01 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.119 -0.988 . . . . 0.0 113.384 174.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.5 mmt -73.53 -41.12 63.43 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.024 0.93 . . . . 0.0 112.607 169.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -59.14 -42.05 89.72 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.165 1.386 . . . . 0.0 112.201 175.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 t -57.46 -37.04 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 126.061 1.745 . . . . 0.0 112.244 170.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -71.99 -35.24 69.42 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.277 1.031 . . . . 0.0 111.064 -176.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.04 -44.76 60.35 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.013 0.925 . . . . 0.0 112.514 175.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -63.34 -33.0 74.57 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.586 1.155 . . . . 0.0 112.69 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.2 p -78.59 -31.08 47.02 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.259 1.024 . . . . 0.0 113.641 173.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -62.42 -52.15 64.7 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.924 0.89 . . . . 0.0 112.78 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.9 -41.13 77.55 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.848 0.749 . . . . 0.0 111.919 177.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.01 -34.93 73.94 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.969 1.308 . . . . 0.0 114.011 -176.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.38 -40.39 51.15 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.367 0.667 . . . . 0.0 111.169 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.0 tp -70.96 -28.83 64.75 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 122.89 0.476 . . . . 0.0 111.988 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -63.97 -28.36 69.76 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.723 1.609 . . . . 0.0 113.267 172.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -71.94 -40.36 68.79 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.465 -1.397 . . . . 0.0 112.092 166.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -88.18 2.35 52.38 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.458 1.503 . . . . 0.0 115.048 -173.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 85.2 p -62.32 23.6 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 131.035 3.734 . . . . 0.0 118.019 -173.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.7 m -60.37 -20.3 58.98 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.469 -1.395 . . . . 0.0 114.528 -159.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.2 m -136.33 144.05 44.44 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.081 1.352 . . . . 0.0 110.253 154.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -60.87 -32.92 72.34 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.58 1.152 . . . . 0.0 111.38 176.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -55.8 -38.47 70.0 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.74 1.216 . . . . 0.0 112.684 173.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -81.45 -38.84 25.78 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.973 0.909 . . . . 0.0 112.494 174.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -56.67 -50.9 70.75 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.103 0.865 . . . . 0.0 110.567 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -72.79 -30.32 64.0 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.566 -0.709 . . . . 0.0 112.898 -177.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.39 -45.03 92.61 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.181 -0.95 . . . . 0.0 110.827 166.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.2 m -75.94 -39.48 56.04 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.003 0.921 . . . . 0.0 112.904 -174.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -64.71 -41.79 95.74 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.237 1.015 . . . . 0.0 111.635 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -64.96 -49.42 70.37 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.311 1.044 . . . . 0.0 109.83 170.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.9 m -65.79 -26.92 67.91 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.744 1.156 . . . . 0.0 114.12 -174.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -75.26 -43.5 51.08 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.595 1.089 . . . . 0.0 112.231 173.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 23.1 mt -56.37 -37.79 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.035 0.534 . . . . 0.0 110.554 167.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -66.37 -44.12 84.03 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.298 1.039 . . . . 0.0 112.981 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.27 93.37 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.079 0.552 . . . . 0.0 110.914 172.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.2 mtt -68.79 -38.28 79.88 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.527 -0.733 . . . . 0.0 112.824 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.0 mtm105 -60.26 -40.0 88.77 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 120.858 -1.151 . . . . 0.0 111.511 168.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.1 m -67.37 -36.7 81.9 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.91 0.884 . . . . 0.0 111.744 176.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.2 m -66.95 -42.01 85.97 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.663 1.185 . . . . 0.0 112.101 172.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -50.83 -39.94 54.58 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.766 1.626 . . . . 0.0 112.496 172.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.72 -40.19 66.33 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.027 1.331 . . . . 0.0 111.683 176.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -61.77 -49.89 74.54 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 120.566 -1.334 . . . . 0.0 113.513 175.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 72.2 mmt-85 -58.63 -17.53 22.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.914 0.886 . . . . 0.0 112.832 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -77.97 -41.56 35.68 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.301 0.955 . . . . 0.0 112.197 173.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 72.7 mtm-85 -63.78 -41.45 97.94 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.881 0.872 . . . . 0.0 111.517 173.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.07 -15.91 63.06 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 124.745 1.218 . . . . 0.0 112.984 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.4 t . . . . . 0 N--CA 1.479 0.986 0 CA-C-N 119.673 1.124 . . . . 0.0 112.898 172.643 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.551 0.987 0 CA-C-O 119.263 -0.398 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -58.73 135.82 69.69 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.44 2.76 . . . . 0.0 114.75 -168.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 69.5 mtm -66.04 -20.66 66.25 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 172.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -67.71 -34.77 77.53 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 120.276 1.398 . . . . 0.0 112.842 166.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -71.1 -53.17 15.54 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.135 0.879 . . . . 0.0 110.506 175.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -52.79 -47.95 67.19 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.751 0.705 . . . . 0.0 111.343 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.3 m -62.97 -27.47 69.42 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -73.46 -32.82 64.55 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 120.033 1.288 . . . . 0.0 112.007 171.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -71.36 -48.53 49.53 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.138 0.881 . . . . 0.0 111.31 172.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.7 t -56.05 -34.34 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 126.437 1.895 . . . . 0.0 111.312 173.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.14 -29.5 70.38 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.169 0.895 . . . . 0.0 112.764 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -74.62 -38.28 62.59 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.282 1.433 . . . . 0.0 112.031 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.94 -45.58 94.13 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.19 1.796 . . . . 0.0 110.466 166.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -48.17 81.09 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.166 0.986 . . . . 0.0 112.745 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.9 m -54.44 -37.31 65.01 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.984 0.913 . . . . 0.0 112.354 175.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.1 t -74.22 -42.54 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.161 0.984 . . . . 0.0 111.873 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.3 mt -66.56 -37.21 84.47 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.866 0.757 . . . . 0.0 112.47 175.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.9 mmt -60.89 -33.56 73.3 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.552 1.541 . . . . 0.0 111.706 170.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -34.68 78.67 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.441 -0.787 . . . . 0.0 112.121 174.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 mm -64.49 -36.97 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 O-C-N 121.335 -0.853 . . . . 0.0 110.191 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -61.8 -37.96 86.33 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.796 0.838 . . . . 0.0 111.826 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt -77.86 -30.78 51.09 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.461 1.504 . . . . 0.0 113.593 173.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.0 mt -75.12 -41.22 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.462 1.105 . . . . 0.0 112.192 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -112.98 14.22 19.64 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.012 1.325 . . . . 0.0 113.813 -167.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.3 21.38 75.83 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 121.043 -1.035 . . . . 0.0 115.463 175.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.81 142.74 48.35 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-N 118.109 0.955 . . . . 0.0 112.626 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.15 176.78 8.17 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.687 1.195 . . . . 0.0 113.482 177.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.3 p -62.86 -28.92 70.36 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.0 m -69.5 -40.18 77.15 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.511 1.125 . . . . 0.0 111.177 173.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.9 m -60.09 -41.12 91.79 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.556 0.742 . . . . 0.0 110.659 171.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.39 -34.8 76.68 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 121.392 -0.817 . . . . 0.0 112.717 175.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -63.28 -36.8 84.88 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 120.746 -1.221 . . . . 0.0 112.574 169.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -70.96 -29.39 65.39 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 170.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.6 mmt -62.07 -43.18 99.39 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.282 1.401 . . . . 0.0 111.576 168.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -57.09 -42.13 80.16 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.972 0.509 . . . . 0.0 111.779 171.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.5 t -69.35 -30.15 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 123.787 0.835 . . . . 0.0 112.802 174.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.38 -35.91 76.28 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 120.337 -1.477 . . . . 0.0 110.072 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.11 -48.18 58.67 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.205 1.002 . . . . 0.0 112.467 172.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -65.86 -31.03 71.75 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.348 1.059 . . . . 0.0 113.712 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.8 p -78.55 -24.85 45.42 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.72 1.208 . . . . 0.0 113.139 170.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.401 ' CD1' ' HE2' ' A' ' 68' ' ' LYS . 37.9 t80 -68.11 -45.68 73.04 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.522 1.055 . . . . 0.0 111.879 168.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -52.66 -51.74 58.86 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 121.647 0.737 . . . . 0.0 110.135 171.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.45 -33.82 76.41 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.48 -44.84 61.73 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.572 0.749 . . . . 0.0 111.29 175.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.6 tp -74.17 -28.07 61.12 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.583 1.153 . . . . 0.0 112.475 -175.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -60.63 -32.92 72.05 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.284 1.034 . . . . 0.0 112.394 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -71.5 -29.42 64.79 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.0 -1.063 . . . . 0.0 113.086 171.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -83.75 -3.2 57.61 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.763 1.625 . . . . 0.0 113.156 177.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.5 t -69.06 21.83 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 128.155 2.582 . . . . 0.0 116.408 -167.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.0 m -68.41 1.21 3.18 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -172.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.1 t -146.96 144.62 29.33 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.793 1.237 . . . . 0.0 109.529 152.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -68.04 -38.67 82.77 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.591 0.756 . . . . 0.0 110.932 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -54.44 -41.5 69.47 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.274 1.03 . . . . 0.0 111.125 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -78.57 -36.14 44.88 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.721 0.808 . . . . 0.0 112.794 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -60.03 -52.78 63.91 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.703 1.138 . . . . 0.0 110.596 174.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -71.23 -33.76 70.16 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.577 -0.702 . . . . 0.0 112.65 -176.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.95 -41.21 82.8 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.24 0.616 . . . . 0.0 111.785 171.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.0 m -68.44 -33.62 74.52 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.782 0.719 . . . . 0.0 111.704 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 61.0 tpp -62.03 -45.96 91.28 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.328 0.967 . . . . 0.0 111.692 170.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -62.02 -44.22 97.18 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.998 0.919 . . . . 0.0 111.407 174.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.1 t -60.6 -38.92 86.26 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.787 1.235 . . . . 0.0 112.983 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.401 ' HE2' ' CD1' ' A' ' 47' ' ' PHE . 53.7 tptt -68.06 -46.68 70.39 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.264 1.426 . . . . 0.0 112.151 175.482 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 57.5 mt -53.46 -49.17 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.428 1.091 . . . . 0.0 109.473 173.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.71 -41.56 95.91 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.61 1.164 . . . . 0.0 113.753 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.67 93.27 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.719 0.808 . . . . 0.0 111.935 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.6 mtt -71.3 -29.55 65.17 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.933 0.893 . . . . 0.0 112.153 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -36.88 85.08 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.701 1.137 . . . . 0.0 111.413 168.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.7 t -64.7 -41.56 95.92 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.869 -0.52 . . . . 0.0 111.903 170.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.2 m -59.73 -47.57 85.14 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.5 0.72 . . . . 0.0 111.388 173.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.05 -42.87 50.59 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 128.043 2.537 . . . . 0.0 114.144 176.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.15 -30.91 58.31 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.382 0.673 . . . . 0.0 112.295 178.161 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.1 tttt -70.42 -46.05 64.67 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.184 0.994 . . . . 0.0 112.443 175.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -53.58 -27.71 28.03 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.549 1.14 . . . . 0.0 111.924 168.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -77.48 -39.37 46.74 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.517 1.053 . . . . 0.0 112.272 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -64.96 -38.17 90.08 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.166 0.986 . . . . 0.0 112.441 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -75.24 -21.43 58.59 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 124.528 1.131 . . . . 0.0 113.072 173.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.482 1.138 0 CA-C-N 119.835 1.198 . . . . 0.0 112.982 -179.48 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.442 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.1 OUTLIER . . . . . 0 CA--C 1.547 0.845 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 7' ' ' ILE . 52.7 Cg_exo -60.61 139.45 85.95 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.411 2.074 . . . . 0.0 114.101 -174.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.1 ptp -64.19 -30.22 71.29 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.925 -0.485 . . . . 0.0 111.567 177.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -66.33 -40.85 90.13 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.68 1.192 . . . . 0.0 111.109 175.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -66.5 -42.15 87.82 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.5 -0.75 . . . . 0.0 111.474 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -61.56 -46.6 89.24 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.874 -0.516 . . . . 0.0 110.982 168.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.4 m -60.92 -35.27 76.27 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -66.3 -35.92 81.63 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.468 1.031 . . . . 0.0 112.561 173.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -71.9 -38.66 69.92 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.458 0.703 . . . . 0.0 112.086 174.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.63 -43.32 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.692 0.797 . . . . 0.0 110.736 171.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.03 -35.69 81.25 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.338 0.972 . . . . 0.0 112.599 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -64.66 -45.62 85.97 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.173 1.389 . . . . 0.0 111.459 174.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tt -60.71 -52.6 64.41 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.958 1.703 . . . . 0.0 112.221 172.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.83 -48.41 72.87 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.76 1.624 . . . . 0.0 110.081 -178.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.6 m -63.92 -31.34 72.48 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.508 0.723 . . . . 0.0 112.505 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.9 t -72.86 -40.84 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.111 -0.993 . . . . 0.0 111.75 173.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.2 mt -63.56 -36.95 85.5 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.561 1.073 . . . . 0.0 111.485 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 22.1 mmt -61.23 -26.22 67.6 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.018 1.327 . . . . 0.0 112.969 171.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -67.48 -39.93 85.27 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 120.129 1.331 . . . . 0.0 110.834 171.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.5 mm -64.45 -40.99 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 121.003 -1.06 . . . . 0.0 109.904 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -60.49 -36.44 78.31 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.223 1.009 . . . . 0.0 112.524 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -69.52 -51.6 34.18 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.406 1.083 . . . . 0.0 112.023 169.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 55.9 mt -54.32 -47.35 69.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.139 1.376 . . . . 0.0 111.679 -177.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -95.88 8.68 42.94 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -177.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 67.28 20.26 71.18 Favored Glycine 0 N--CA 1.471 1.018 0 O-C-N 121.076 -1.015 . . . . 0.0 115.154 174.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.7 137.4 48.63 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.461 1.029 . . . . 0.0 112.349 -174.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -60.27 160.55 8.29 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.251 1.021 . . . . 0.0 113.081 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.4 p -60.17 -34.03 73.02 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.471 -1.393 . . . . 0.0 114.133 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.1 m -68.42 -34.73 76.51 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.089 -1.007 . . . . 0.0 110.891 171.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.3 m -64.98 -31.94 73.43 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.759 -1.213 . . . . 0.0 111.358 171.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.97 -35.77 77.11 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.224 -0.923 . . . . 0.0 111.98 170.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -65.54 -38.97 91.17 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.698 -1.251 . . . . 0.0 112.611 169.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -57.37 -30.69 65.09 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.742 -1.224 . . . . 0.0 112.729 168.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.3 mmt -73.72 -39.56 64.2 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.619 1.1 . . . . 0.0 112.805 170.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -54.02 -44.82 71.29 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 119.386 0.994 . . . . 0.0 111.111 170.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.5 t -64.14 -39.22 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.256 1.422 . . . . 0.0 112.467 174.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.56 -39.03 88.3 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.942 -1.099 . . . . 0.0 110.182 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.8 -49.69 56.48 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.698 0.799 . . . . 0.0 112.694 177.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -64.7 -39.14 93.14 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.889 0.876 . . . . 0.0 112.265 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.3 p -73.0 -36.44 67.03 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 176.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -54.04 -50.27 67.06 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.338 0.972 . . . . 0.0 111.632 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . 0.266 0.5 OUTLIER -71.71 -35.6 70.28 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -178.079 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.33 98.3 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.59 0.632 . . . . 0.0 112.118 177.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.07 -36.68 77.91 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.615 0.766 . . . . 0.0 111.606 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.9 tp -72.74 -32.16 65.47 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.165 0.986 . . . . 0.0 112.63 176.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -63.25 -30.54 71.66 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.714 1.206 . . . . 0.0 111.819 174.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -71.47 -32.93 68.84 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 120.817 -1.177 . . . . 0.0 113.297 168.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -81.33 -4.25 55.09 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.319 1.448 . . . . 0.0 114.437 174.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.6 p -66.62 22.48 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 117.333 2.346 . . . . 0.0 117.333 -173.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.2 m -60.4 -8.11 2.48 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.036 1.334 . . . . 0.0 114.123 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.0 p -134.7 150.66 50.63 Favored 'General case' 0 C--O 1.238 0.484 0 O-C-N 121.488 -0.757 . . . . 0.0 111.246 143.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -57.61 -37.09 72.68 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.143 0.977 . . . . 0.0 110.722 169.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -65.38 -28.01 68.97 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -80.12 -38.92 30.55 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 120.296 1.407 . . . . 0.0 112.706 170.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -60.56 -50.89 71.73 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.036 0.834 . . . . 0.0 110.204 174.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -65.58 -41.92 92.33 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.251 -0.88 . . . . 0.0 112.963 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -63.11 -47.03 84.58 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.279 0.945 . . . . 0.0 111.806 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.6 m -70.87 -39.06 73.07 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.503 0.592 . . . . 0.0 111.153 -176.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 63.2 tpp -56.7 -52.58 64.38 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.284 0.633 . . . . 0.0 110.697 172.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -61.82 -43.65 98.42 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.083 0.553 . . . . 0.0 111.305 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.3 m -71.92 -33.92 68.66 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 121.313 -0.867 . . . . 0.0 113.282 -174.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.41 ' HA ' ' HE3' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -74.93 -38.27 61.81 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 118.785 0.72 . . . . 0.0 111.967 172.188 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 59.0 mt -58.78 -47.33 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 118.736 0.698 . . . . 0.0 110.32 170.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -66.93 -34.68 78.3 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.543 1.065 . . . . 0.0 112.793 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.59 -40.23 96.23 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.097 0.862 . . . . 0.0 112.004 171.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.8 mmt -72.77 -38.77 67.19 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 120.944 -1.098 . . . . 0.0 112.337 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.0 mtt-85 -57.74 -44.68 86.24 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.477 1.111 . . . . 0.0 111.412 169.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.1 m -72.59 -22.22 61.01 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.3 1.04 . . . . 0.0 113.12 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.4 m -68.24 -43.3 78.22 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.391 168.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.5 mtm180 -52.98 -39.54 63.11 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 120.476 1.489 . . . . 0.0 112.97 173.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.44 -35.68 75.91 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.763 1.225 . . . . 0.0 111.361 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.6 tttm -78.27 -46.75 19.44 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 174.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.2 mmt85 -53.88 -23.14 11.63 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.138 0.975 . . . . 0.0 112.352 171.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -73.11 -40.78 64.68 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.219 0.918 . . . . 0.0 111.559 174.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.27 -24.62 24.29 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.187 1.395 . . . . 0.0 114.494 -178.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.81 -34.3 77.84 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.524 0.729 . . . . 0.0 110.597 162.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 177.881 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.438 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER . . . . . 0 CA--C 1.548 0.895 0 CA-C-O 119.772 -0.156 . . . . 0.0 111.195 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 7' ' ' ILE . 50.5 Cg_exo -60.13 145.82 97.6 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.078 2.519 . . . . 0.0 113.897 -172.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.5 ttt -61.5 -30.45 70.63 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 122.896 0.479 . . . . 0.0 111.067 170.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -59.91 -44.51 94.25 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.576 -0.703 . . . . 0.0 111.921 173.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -70.34 -40.06 74.34 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.383 -0.823 . . . . 0.0 111.86 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -61.81 -51.05 69.84 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.22 1.008 . . . . 0.0 111.807 173.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.3 m -62.66 -30.2 71.2 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.837 0.855 . . . . 0.0 112.58 175.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -69.8 -39.79 76.37 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.144 0.884 . . . . 0.0 112.15 170.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -31.59 70.77 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.619 1.1 . . . . 0.0 111.336 175.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.2 t -64.75 -42.42 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-O 117.578 -1.201 . . . . 0.0 111.007 167.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.86 -36.05 78.17 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 121.247 1.84 . . . . 0.0 113.232 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -62.82 -38.53 91.07 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.93 1.292 . . . . 0.0 112.73 173.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tt -73.88 -44.79 54.24 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.106 1.763 . . . . 0.0 111.981 173.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.24 -46.87 79.4 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 126.622 1.969 . . . . 0.0 109.712 -178.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.2 m -63.11 -32.63 74.05 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.999 0.92 . . . . 0.0 112.683 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 36.0 t -74.08 -43.07 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.706 0.802 . . . . 0.0 111.565 174.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.4 mt -66.89 -35.68 80.56 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.432 1.015 . . . . 0.0 112.174 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.2 mmt -62.43 -32.94 73.88 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.947 0.899 . . . . 0.0 112.117 169.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -37.56 87.83 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.913 0.779 . . . . 0.0 111.87 173.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.5 mm -57.8 -46.31 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 173.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -70.23 -36.23 74.37 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -175.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -73.82 -28.11 61.45 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.571 1.548 . . . . 0.0 113.883 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.2 mt -75.68 -47.92 31.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.738 0.815 . . . . 0.0 110.323 171.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -75.93 -13.96 60.25 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.151 1.38 . . . . 0.0 114.123 -174.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.32 28.5 73.64 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 120.879 -1.138 . . . . 0.0 113.21 -172.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.6 142.55 46.98 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 117.952 0.876 . . . . 0.0 111.631 178.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -57.13 162.27 2.68 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.877 1.671 . . . . 0.0 113.841 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 97.1 p -51.55 -36.09 43.64 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.557 1.143 . . . . 0.0 112.549 169.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.5 m -62.55 -38.94 91.99 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.356 1.062 . . . . 0.0 111.477 174.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 m -72.53 -37.79 68.21 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.985 1.314 . . . . 0.0 112.342 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.7 87.65 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 118.949 0.795 . . . . 0.0 111.349 171.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -63.37 -35.81 81.63 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.314 -0.866 . . . . 0.0 113.046 170.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -65.43 -35.16 80.09 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.676 1.125 . . . . 0.0 113.582 167.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.5 mmt -63.24 -40.3 97.05 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 120.395 1.452 . . . . 0.0 111.4 173.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -58.93 -46.95 86.72 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.084 0.554 . . . . 0.0 111.992 170.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.95 -39.45 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 123.917 0.887 . . . . 0.0 112.178 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.37 -36.66 81.8 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.552 1.141 . . . . 0.0 110.28 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.23 -45.62 54.98 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.462 0.705 . . . . 0.0 112.857 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -67.4 -28.13 67.66 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.068 1.347 . . . . 0.0 112.303 173.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.6 t -66.68 -39.18 88.03 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 123.365 0.666 . . . . 0.0 111.136 166.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -63.11 -39.98 96.29 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.922 1.237 . . . . 0.0 113.816 -175.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -66.3 -40.75 90.2 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.597 1.089 . . . . 0.0 112.577 172.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.0 -40.06 78.96 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.413 -0.805 . . . . 0.0 112.391 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.13 -33.86 77.03 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 125.398 1.479 . . . . 0.0 111.783 175.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 tp -78.83 -37.58 40.2 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 118.949 -0.548 . . . . 0.0 111.631 174.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -55.72 -31.91 62.9 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.996 1.318 . . . . 0.0 112.444 171.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -68.83 -24.87 64.42 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 124.784 1.234 . . . . 0.0 113.471 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -119.46 10.27 11.81 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 126.357 1.863 . . . . 0.0 115.853 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.3 t -59.78 26.61 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 130.809 3.644 . . . . 0.0 118.015 -173.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 80.4 p -57.66 -1.07 0.08 Allowed 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 117.319 2.34 . . . . 0.0 117.319 -169.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 t -160.37 151.57 19.23 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.888 1.675 . . . . 0.0 110.803 161.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -61.64 -41.31 97.32 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 121.234 -0.916 . . . . 0.0 112.299 178.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -55.58 -43.46 76.0 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.002 0.365 . . . . 0.0 111.189 176.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -67.68 -40.91 84.37 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -60.1 -51.0 71.5 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 121.428 0.632 . . . . 0.0 110.019 174.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -65.8 -41.58 91.74 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 120.762 -1.211 . . . . 0.0 112.894 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -74.28 -38.15 63.5 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.346 1.058 . . . . 0.0 112.844 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.5 m -68.92 -42.42 76.81 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.022 0.828 . . . . 0.0 111.395 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.7 ttt -64.84 -39.93 94.36 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.698 0.681 . . . . 0.0 111.368 177.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.8 tmtp? -65.21 -39.24 92.52 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.304 0.642 . . . . 0.0 112.003 172.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.2 t -58.99 -45.76 89.83 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.54 1.136 . . . . 0.0 111.894 175.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -75.51 -36.69 60.48 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 117.775 -1.107 . . . . 0.0 113.501 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.06 -41.93 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 120.378 1.444 . . . . 0.0 110.426 171.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -61.73 -36.04 79.82 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.827 1.251 . . . . 0.0 112.79 175.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.33 -41.72 63.14 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.488 0.715 . . . . 0.0 112.287 172.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.2 mtt -67.93 -29.51 68.6 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.732 -1.23 . . . . 0.0 112.046 177.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -61.08 -39.83 91.38 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.236 1.014 . . . . 0.0 111.093 165.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.3 m -63.88 -42.33 97.52 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.25 0.932 . . . . 0.0 111.663 171.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.4 m -62.51 -47.95 81.67 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.827 0.851 . . . . 0.0 111.33 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -50.23 -48.65 54.4 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.794 2.038 . . . . 0.0 111.786 169.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -64.74 -37.21 86.83 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.627 0.771 . . . . 0.0 109.73 -175.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -67.86 -45.42 74.63 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.15 1.38 . . . . 0.0 113.242 174.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -54.23 -28.67 42.72 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 118.556 -0.735 . . . . 0.0 111.702 169.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -76.07 -38.51 56.96 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 119.95 1.25 . . . . 0.0 111.069 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -65.39 -27.46 68.57 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.804 1.642 . . . . 0.0 112.962 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -85.89 -18.4 32.87 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.271 1.428 . . . . 0.0 113.393 170.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.48 1.058 0 C-N-CA 123.773 0.829 . . . . 0.0 112.797 178.87 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.1 OUTLIER . . . . . 0 CA--C 1.552 1.027 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 7' ' ' ILE . 38.8 Cg_exo -68.46 141.7 51.78 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.213 2.609 . . . . 0.0 114.535 -177.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -59.09 -29.23 67.2 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.009 0.924 . . . . 0.0 112.745 173.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -64.79 -38.68 91.82 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.588 -0.695 . . . . 0.0 111.693 175.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -70.4 -37.14 74.44 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.94 -0.475 . . . . 0.0 110.776 175.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.9 mtm-85 -57.96 -46.74 84.63 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.596 -0.69 . . . . 0.0 110.96 170.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.0 m -64.72 -34.4 78.23 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.045 0.938 . . . . 0.0 112.812 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -63.46 -35.82 81.7 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.209 1.368 . . . . 0.0 112.45 170.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -70.26 -42.56 71.99 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.568 0.747 . . . . 0.0 111.169 172.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.45 -42.13 94.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 124.51 1.124 . . . . 0.0 110.971 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.31 -34.35 72.22 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.244 1.018 . . . . 0.0 112.912 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -72.94 -36.7 67.25 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.078 1.351 . . . . 0.0 112.158 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 tt -66.12 -48.02 72.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.304 1.842 . . . . 0.0 112.001 167.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.58 -46.21 87.41 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.502 1.521 . . . . 0.0 110.398 -177.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 84.8 m -61.25 -30.37 70.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.16 1.384 . . . . 0.0 112.911 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.4 t -75.18 -44.27 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 O-C-N 120.534 -1.354 . . . . 0.0 112.019 171.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.3 mt -64.0 -36.32 83.6 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.699 1.136 . . . . 0.0 111.992 176.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 20.3 mmt -61.81 -28.83 69.75 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.613 1.565 . . . . 0.0 113.006 170.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -35.09 66.02 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.656 0.782 . . . . 0.0 111.897 173.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.8 mm -61.85 -40.76 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 O-C-N 121.126 -0.984 . . . . 0.0 109.457 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -61.21 -29.81 70.05 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.507 0.723 . . . . 0.0 112.217 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -76.58 -51.89 10.78 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.512 1.125 . . . . 0.0 112.308 168.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.4 mt -57.02 -41.2 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.53 1.132 . . . . 0.0 112.584 -174.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -92.18 -4.75 53.74 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.139 1.376 . . . . 0.0 114.691 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.5 35.06 80.62 Favored Glycine 0 N--CA 1.476 1.35 0 CA-C-N 119.421 1.009 . . . . 0.0 115.179 -177.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.57 162.9 47.13 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-O 123.502 1.612 . . . . 0.0 114.762 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.71 165.87 12.74 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.812 2.445 . . . . 0.0 114.013 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.3 t -59.62 -35.47 74.44 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.941 1.696 . . . . 0.0 113.868 173.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.7 p -64.91 -44.41 89.66 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 120.828 -1.17 . . . . 0.0 111.966 175.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.5 m -64.76 -32.87 74.75 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.65 1.18 . . . . 0.0 111.834 173.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.9 -37.28 72.98 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.32 1.048 . . . . 0.0 113.263 172.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -59.47 -34.33 72.43 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.595 -1.315 . . . . 0.0 112.504 169.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -75.22 -27.43 59.55 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.547 1.539 . . . . 0.0 113.482 171.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.4 mmt -68.47 -40.52 80.98 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.561 1.073 . . . . 0.0 112.401 166.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -54.34 -42.56 70.35 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.672 0.789 . . . . 0.0 112.01 170.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.0 t -65.06 -35.56 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.001 0.92 . . . . 0.0 112.801 174.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -64.86 -45.69 85.02 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.145 1.339 . . . . 0.0 109.808 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.82 86.92 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.08 -47.01 84.73 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.155 0.982 . . . . 0.0 112.561 175.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -66.99 -27.26 67.29 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 118.412 -0.804 . . . . 0.0 112.997 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -69.37 -48.9 59.83 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.338 -0.839 . . . . 0.0 112.984 173.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . 0.296 0.7 OUTLIER -65.25 -29.35 70.12 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 120.725 1.602 . . . . 0.0 112.668 174.477 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.69 -27.89 64.35 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 173.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.2 -45.37 40.92 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.148 0.885 . . . . 0.0 111.603 171.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.3 tp -71.17 -32.34 68.77 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.147 0.979 . . . . 0.0 112.01 -175.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -56.5 -37.75 70.83 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.862 0.865 . . . . 0.0 112.965 176.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -71.42 -12.91 61.65 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -119.79 10.34 11.6 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 127.221 2.208 . . . . 0.0 114.264 173.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.1 t -67.34 23.55 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 129.139 2.976 . . . . 0.0 116.005 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 m -65.07 -8.0 14.56 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.735 1.614 . . . . 0.0 114.276 -166.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.7 t -137.63 143.86 41.64 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 125.586 1.554 . . . . 0.0 110.278 158.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.5 tttm -58.23 -39.07 78.13 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.563 0.745 . . . . 0.0 111.374 170.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -59.23 -45.82 90.13 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 118.437 0.562 . . . . 0.0 111.441 177.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -69.14 -40.87 77.97 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.529 0.731 . . . . 0.0 112.172 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -58.43 -52.29 66.24 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.744 0.702 . . . . 0.0 110.451 173.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -69.98 -36.45 75.19 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.321 -0.862 . . . . 0.0 112.394 -177.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -67.07 -35.6 80.18 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.338 0.972 . . . . 0.0 111.794 174.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.8 m -76.3 -37.62 57.22 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.513 0.597 . . . . 0.0 112.098 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 94.3 mmm -59.17 -49.05 79.33 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.557 -0.715 . . . . 0.0 110.119 169.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -56.04 -43.51 77.9 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.75 0.82 . . . . 0.0 111.316 172.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.2 t -56.77 -45.28 82.21 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.676 1.191 . . . . 0.0 113.393 176.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -73.97 -38.53 64.16 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.466 -0.772 . . . . 0.0 112.074 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.29 -43.04 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.78 0.832 . . . . 0.0 110.826 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.58 -32.82 66.3 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.932 1.242 . . . . 0.0 112.816 -178.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.16 -46.91 86.86 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.889 -0.507 . . . . 0.0 111.068 167.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 17.8 mmt -68.1 -32.53 72.9 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 175.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.4 ttm-85 -66.21 -39.25 89.48 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.375 1.47 . . . . 0.0 111.257 173.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.1 m -64.17 -45.54 87.95 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.969 0.908 . . . . 0.0 111.134 171.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.9 m -65.64 -37.72 87.34 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.723 1.209 . . . . 0.0 112.58 177.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -58.68 -38.85 79.11 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.372 1.869 . . . . 0.0 111.833 174.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.14 -33.17 61.51 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.686 0.794 . . . . 0.0 111.604 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -63.24 -50.35 70.55 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.377 -0.827 . . . . 0.0 111.464 172.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -56.3 -24.47 43.46 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.936 1.294 . . . . 0.0 112.571 168.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -78.58 -46.65 18.89 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.929 1.24 . . . . 0.0 111.58 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -79.46 -20.32 47.69 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.11 1.364 . . . . 0.0 114.308 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -87.17 -1.36 57.84 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.374 1.47 . . . . 0.0 112.833 164.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 N--CA 1.477 0.881 0 O-C-N 121.177 -0.952 . . . . 0.0 111.555 166.271 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.804 0 CA-C-O 119.42 -0.324 . . . . 0.0 111.53 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -53.73 131.51 44.44 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.273 2.649 . . . . 0.0 113.743 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.8 ptp -66.53 -27.1 67.49 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.776 -0.578 . . . . 0.0 112.11 176.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -63.45 -40.77 98.01 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.702 -0.624 . . . . 0.0 112.117 169.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -67.7 -40.16 84.35 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.348 -0.845 . . . . 0.0 111.218 177.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 mtm-85 -59.04 -51.32 70.55 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 118.93 0.786 . . . . 0.0 110.494 172.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.2 m -59.48 -31.19 69.12 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -74.72 -34.18 62.54 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.271 1.028 . . . . 0.0 113.242 174.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -70.02 -44.04 70.1 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.36 -0.838 . . . . 0.0 111.188 172.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.0 t -58.0 -37.43 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.573 1.549 . . . . 0.0 110.958 170.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.61 -25.28 64.78 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 119.995 1.271 . . . . 0.0 113.322 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -71.04 -45.14 64.4 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.128 -0.982 . . . . 0.0 110.084 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 tt -57.03 -46.37 82.43 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.863 1.265 . . . . 0.0 111.76 168.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -43.26 91.59 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.27 1.428 . . . . 0.0 111.558 177.073 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.7 m -63.74 -30.04 71.19 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.678 1.191 . . . . 0.0 112.475 177.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.3 t -75.18 -41.8 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.231 1.013 . . . . 0.0 112.261 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.38 -35.09 77.18 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.828 1.195 . . . . 0.0 112.759 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 10.2 mmt -53.44 -39.98 64.84 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.057 1.743 . . . . 0.0 111.253 165.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -39.17 89.38 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.827 0.451 . . . . 0.0 111.718 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mm -64.19 -40.35 88.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 118.794 0.725 . . . . 0.0 109.898 174.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -64.18 -42.49 96.67 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 122.932 0.493 . . . . 0.0 111.059 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -69.07 -40.72 78.3 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.231 -0.918 . . . . 0.0 112.76 172.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.3 mt -59.73 -41.26 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.923 0.889 . . . . 0.0 111.61 176.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -78.78 -26.36 44.46 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 173.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.55 43.74 35.66 Favored Glycine 0 N--CA 1.47 0.924 0 CA-C-N 119.256 0.935 . . . . 0.0 112.562 -164.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.49 146.4 49.71 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.999 1.285 . . . . 0.0 113.642 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.13 156.2 32.41 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.628 1.971 . . . . 0.0 112.66 174.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.6 t -64.6 -20.35 66.21 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.681 -1.262 . . . . 0.0 113.55 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.2 p -68.52 -41.39 80.01 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 120.559 -1.338 . . . . 0.0 111.92 167.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.4 m -67.58 -38.78 84.55 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.261 1.424 . . . . 0.0 111.024 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.36 -44.64 92.67 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.565 0.746 . . . . 0.0 111.487 170.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -63.73 -33.66 76.14 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.918 -1.114 . . . . 0.0 113.565 174.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -77.72 -29.73 51.4 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -29.53 57.74 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.612 1.551 . . . . 0.0 112.351 171.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -56.35 -42.47 77.8 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 120.941 -1.1 . . . . 0.0 112.125 166.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.2 t -65.62 -29.7 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 125.215 1.406 . . . . 0.0 113.098 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -71.27 -39.86 71.3 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.895 1.278 . . . . 0.0 110.392 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.0 83.73 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.08 0.552 . . . . 0.0 111.982 171.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -60.57 -36.68 79.11 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.811 0.844 . . . . 0.0 112.921 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 t -68.27 -39.11 82.29 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.524 0.73 . . . . 0.0 112.063 174.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -64.64 -45.48 86.63 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.046 0.839 . . . . 0.0 112.057 173.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.74 -56.26 21.2 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 126.219 1.807 . . . . 0.0 111.73 178.005 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.96 -31.69 72.97 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.372 1.469 . . . . 0.0 113.556 -177.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.62 -36.92 60.11 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.012 0.525 . . . . 0.0 111.323 175.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.3 tp -76.12 -37.99 57.39 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.517 0.727 . . . . 0.0 112.347 178.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -58.76 -24.53 61.81 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.935 1.294 . . . . 0.0 112.435 171.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -69.95 -21.7 63.24 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.086 -1.634 . . . . 0.0 114.485 172.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.97 11.69 11.82 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 116.098 1.888 . . . . 0.0 116.098 176.19 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.4 p -69.3 19.26 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 118.088 2.625 . . . . 0.0 118.088 -174.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.4 p -64.46 -6.95 8.31 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 -167.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.4 m -128.63 136.44 50.68 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.053 0.941 . . . . 0.0 109.493 152.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.3 tttm -57.24 -36.12 70.55 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.944 1.298 . . . . 0.0 111.67 176.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.56 -39.13 72.94 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.584 0.753 . . . . 0.0 112.73 175.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -77.69 -39.92 43.2 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.475 1.034 . . . . 0.0 112.165 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -58.24 -47.51 83.32 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.538 0.608 . . . . 0.0 110.45 171.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -63.26 -48.97 75.96 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.533 -0.729 . . . . 0.0 111.659 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -61.43 -38.64 87.88 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.681 1.128 . . . . 0.0 113.133 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.2 m -73.66 -40.74 63.48 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.71 -0.619 . . . . 0.0 111.13 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.2 mmt -56.43 -50.01 72.89 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 119.014 -0.517 . . . . 0.0 110.697 168.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -48.03 78.43 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.304 1.041 . . . . 0.0 111.266 177.252 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.3 m -60.37 -45.75 92.42 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.692 1.197 . . . . 0.0 112.696 -178.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -75.25 -36.51 61.25 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.504 0.722 . . . . 0.0 112.714 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.4 mt -59.61 -44.93 94.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 119.008 0.822 . . . . 0.0 109.935 170.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.59 -37.61 88.15 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.795 1.179 . . . . 0.0 113.166 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.53 91.33 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.694 -0.629 . . . . 0.0 111.757 170.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.6 mmt -75.09 -36.39 61.73 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 120.816 -1.177 . . . . 0.0 113.343 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -57.04 -48.66 77.98 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.703 1.201 . . . . 0.0 110.341 167.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.6 m -60.46 -35.44 75.88 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.597 0.759 . . . . 0.0 111.829 173.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.4 m -68.52 -32.09 71.79 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 117.362 -1.304 . . . . 0.0 112.349 176.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -49.96 -47.33 52.66 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 121.246 1.839 . . . . 0.0 111.909 171.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.18 -41.65 76.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 113.879 -1.51 . . . . 0.0 110.807 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -63.86 -51.62 63.8 Favored 'General case' 0 CA--C 1.511 -0.531 0 O-C-N 121.823 -0.548 . . . . 0.0 112.063 175.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 50.5 mmt-85 -60.14 -20.38 58.17 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.101 0.96 . . . . 0.0 112.233 173.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -80.03 -43.79 21.27 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 119.635 1.107 . . . . 0.0 111.396 174.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -71.05 -27.77 63.89 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.888 1.275 . . . . 0.0 113.058 176.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.9 -18.31 62.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.676 1.991 . . . . 0.0 113.229 164.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 71.4 m . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -178.818 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.4 ttm . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 110.831 -0.063 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.7 p -62.73 -11.43 17.47 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -177.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 p -56.12 -46.39 79.18 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 120.613 -1.304 . . . . 0.0 112.346 170.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 tmmt? -57.97 -23.59 54.46 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.974 1.31 . . . . 0.0 112.842 174.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -92.67 -8.26 44.54 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.74 1.216 . . . . 0.0 112.86 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.95 -3.36 2.02 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 -168.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.438 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -52.54 124.71 34.3 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 126.149 1.78 . . . . 0.0 112.197 -172.342 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 7' ' ' ILE . 39.5 Cg_exo -61.96 138.53 74.0 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.428 2.752 . . . . 0.0 114.001 -175.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 53.7 ttm -62.11 -32.68 73.28 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.171 -0.956 . . . . 0.0 111.825 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.4 p80 -60.81 -34.87 75.2 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 120.145 1.339 . . . . 0.0 112.807 174.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -71.28 -43.8 66.46 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.416 1.086 . . . . 0.0 111.697 173.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -58.68 -50.38 74.1 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.59 -0.694 . . . . 0.0 110.799 174.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.0 m -58.68 -34.76 71.64 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 118.435 -0.793 . . . . 0.0 113.018 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -70.27 -31.78 69.3 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.804 1.184 . . . . 0.0 112.673 176.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -77.57 -45.51 25.08 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.658 1.183 . . . . 0.0 113.122 174.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.3 t -53.14 -35.72 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 126.217 1.807 . . . . 0.0 110.76 168.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.49 -22.64 65.45 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.24 -37.53 60.99 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 120.177 -1.577 . . . . 0.0 112.663 171.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.57 -46.3 90.48 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.77 1.628 . . . . 0.0 111.156 167.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -49.0 64.55 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.983 1.713 . . . . 0.0 111.17 177.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.9 m -61.46 -35.13 76.74 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.583 1.153 . . . . 0.0 113.108 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.1 t -72.51 -37.94 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 119.141 0.882 . . . . 0.0 111.486 174.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.3 mt -68.64 -38.31 80.39 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.565 1.075 . . . . 0.0 111.883 174.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 21.5 mmt -60.38 -33.49 72.54 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.012 1.325 . . . . 0.0 112.452 171.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.36 -32.95 74.85 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.869 1.268 . . . . 0.0 112.17 170.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.8 mm -67.06 -38.96 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 O-C-N 120.43 -1.419 . . . . 0.0 109.76 173.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -66.42 -28.93 69.0 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -69.87 -55.34 10.0 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.059 1.344 . . . . 0.0 111.941 166.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.7 mt -65.02 -37.06 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.978 1.311 . . . . 0.0 112.82 -172.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -88.58 -8.41 54.78 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.188 0.995 . . . . 0.0 113.442 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 60.64 51.7 57.06 Favored Glycine 0 C--N 1.339 0.728 0 C-N-CA 125.34 1.448 . . . . 0.0 114.842 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.77 -170.06 45.17 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-O 122.752 1.196 . . . . 0.0 114.703 172.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -107.2 164.19 12.38 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.785 2.434 . . . . 0.0 114.007 -171.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.3 t -51.32 -39.27 56.58 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.074 1.75 . . . . 0.0 114.17 171.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.3 p -71.57 -31.53 67.07 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.385 1.074 . . . . 0.0 112.478 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.1 m -71.89 -31.35 66.33 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.084 0.954 . . . . 0.0 110.914 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.17 -32.74 73.21 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.281 1.032 . . . . 0.0 112.339 167.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -64.44 -40.53 95.92 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.536 -1.352 . . . . 0.0 112.341 166.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -59.05 -36.7 75.48 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.532 1.06 . . . . 0.0 112.891 168.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.1 mmt -61.45 -41.74 97.68 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 120.163 1.347 . . . . 0.0 112.312 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -59.64 -44.52 93.49 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 121.88 -0.512 . . . . 0.0 111.728 173.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.8 t -63.26 -36.02 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.504 1.122 . . . . 0.0 112.158 176.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -68.6 -43.73 75.81 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 124.459 1.104 . . . . 0.0 109.789 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.68 -47.89 83.29 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -70.48 -23.98 62.78 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.3 t -76.21 -41.73 48.44 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.969 0.804 . . . . 0.0 111.633 167.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -59.45 -45.56 91.26 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.616 0.766 . . . . 0.0 112.046 174.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -53.23 -55.4 24.73 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.221 1.809 . . . . 0.0 111.311 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.4 -33.95 76.67 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.377 1.471 . . . . 0.0 112.918 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.74 -26.65 34.35 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.255 1.022 . . . . 0.0 112.465 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.4 tp -74.25 -35.82 63.83 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.95 0.9 . . . . 0.0 111.091 168.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -59.38 -30.05 68.14 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.66 0.784 . . . . 0.0 112.42 174.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.55 -25.7 68.36 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 120.579 -1.326 . . . . 0.0 114.083 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.262 53.6 pttt -118.2 11.32 13.17 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 127.252 2.221 . . . . 0.0 115.059 -175.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 94.7 p -53.03 18.22 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 131.627 3.971 . . . . 0.0 120.41 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 57.9 m -61.37 -5.19 1.54 Allowed 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 117.929 2.566 . . . . 0.0 117.929 -160.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 t -145.72 151.48 38.07 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.454 1.501 . . . . 0.0 109.342 157.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -57.57 -38.56 75.02 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.568 -0.708 . . . . 0.0 111.291 170.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -69.79 -24.28 63.47 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 176.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -79.99 -39.23 30.47 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.618 -1.301 . . . . 0.0 111.594 173.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -60.27 -51.33 70.01 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.751 0.705 . . . . 0.0 110.389 169.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -63.62 -45.35 90.71 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.784 0.834 . . . . 0.0 112.888 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -72.07 -36.94 69.7 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.788 1.176 . . . . 0.0 112.305 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.2 m -66.45 -37.73 85.79 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.234 0.924 . . . . 0.0 111.931 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 62.3 tpp -60.7 -48.19 82.9 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.457 0.703 . . . . 0.0 110.881 171.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.49 -44.57 85.03 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.25 1.02 . . . . 0.0 111.294 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.7 m -72.09 -26.03 61.99 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.443 1.097 . . . . 0.0 113.746 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -73.88 -41.25 62.45 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.831 0.852 . . . . 0.0 111.16 170.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.2 mt -59.03 -43.98 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 124.208 1.003 . . . . 0.0 110.125 170.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -60.59 -39.92 89.85 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.182 1.393 . . . . 0.0 113.628 174.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.61 81.81 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.626 -0.671 . . . . 0.0 112.216 175.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.7 mmt -75.39 -38.12 60.12 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.352 -0.843 . . . . 0.0 112.427 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.6 -52.17 60.69 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.862 1.665 . . . . 0.0 110.044 167.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.8 m -62.51 -33.48 74.98 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.008 0.523 . . . . 0.0 111.389 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.9 m -68.94 -33.43 73.71 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 117.325 -1.322 . . . . 0.0 112.683 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -51.81 -45.82 64.02 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 121.598 1.999 . . . . 0.0 111.644 169.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -68.17 -37.65 81.2 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 114.522 -1.217 . . . . 0.0 111.642 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -65.29 -50.91 63.89 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.049 1.34 . . . . 0.0 112.772 176.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.3 mmt-85 -59.17 -20.39 53.39 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.307 172.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -79.25 -38.39 35.67 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.117 0.871 . . . . 0.0 112.049 173.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -64.43 -43.2 95.07 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.276 -0.89 . . . . 0.0 111.159 173.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -69.37 -18.56 63.8 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.363 1.465 . . . . 0.0 114.445 174.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.4 t -102.78 -38.92 7.22 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.267 0.94 . . . . 0.0 113.377 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.2 m -138.21 -5.62 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -172.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 73.66 24.31 74.86 Favored Glycine 0 CA--C 1.539 1.554 0 O-C-N 120.867 -1.145 . . . . 0.0 115.166 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 71.4 m . . . . . 0 C--O 1.25 1.123 0 C-N-CA 125.783 1.633 . . . . 0.0 112.2 -179.895 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -69.12 -12.19 61.46 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -176.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m -49.76 -32.01 12.82 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 127.332 2.253 . . . . 0.0 115.103 172.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -50.17 -35.83 27.79 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.641 1.176 . . . . 0.0 112.682 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -77.59 -12.39 59.96 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -176.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.7 m -90.52 -14.97 31.57 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.007 -1.058 . . . . 0.0 112.487 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -61.17 114.59 11.09 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 125.636 1.575 . . . . 0.0 110.489 -173.185 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_exo -60.97 139.9 87.26 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.151 1.901 . . . . 0.0 113.081 -171.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 51.3 ttm -61.6 -31.08 71.13 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.157 0.583 . . . . 0.0 112.144 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -60.75 -44.76 96.31 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 169.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -69.93 -40.13 75.7 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.868 0.758 . . . . 0.0 112.105 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -55.45 -54.9 38.03 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 122.887 0.475 . . . . 0.0 111.236 170.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.0 m -58.24 -38.13 76.25 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.901 0.481 . . . . 0.0 112.188 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -67.76 -27.99 67.24 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.359 1.464 . . . . 0.0 113.57 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -77.66 -46.8 20.91 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.835 1.254 . . . . 0.0 112.552 169.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.4 t -56.51 -41.87 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.679 1.192 . . . . 0.0 110.313 173.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.4 72.61 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 119.375 0.989 . . . . 0.0 112.996 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -70.09 -36.4 74.87 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.729 1.212 . . . . 0.0 111.418 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tt -69.25 -47.93 63.28 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.713 2.005 . . . . 0.0 112.335 168.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -44.4 95.43 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.692 1.197 . . . . 0.0 110.405 -174.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.9 m -57.81 -37.05 73.08 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.855 0.862 . . . . 0.0 111.6 175.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -72.41 -41.97 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.8 0.84 . . . . 0.0 111.786 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.5 mt -66.61 -36.63 83.05 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.63 1.104 . . . . 0.0 111.944 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.4 mmt -61.18 -36.12 79.0 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.92 1.288 . . . . 0.0 111.671 170.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -37.23 85.89 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.53 0.732 . . . . 0.0 111.869 171.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 mm -65.7 -43.58 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 121.049 -1.032 . . . . 0.0 109.331 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -65.71 -41.29 92.47 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 122.952 0.501 . . . . 0.0 112.146 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -63.87 -50.79 67.44 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.204 1.002 . . . . 0.0 112.156 173.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 91.2 mt -70.6 -44.12 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.753 0.821 . . . . 0.0 111.218 -174.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -78.93 -21.65 46.95 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.204 -0.935 . . . . 0.0 112.773 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.35 51.11 34.03 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 124.41 1.005 . . . . 0.0 113.532 176.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.67 178.35 53.26 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 159.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -83.5 167.95 16.93 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.148 0.979 . . . . 0.0 112.793 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -65.46 -21.69 66.67 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.503 0.721 . . . . 0.0 112.5 172.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.2 p -68.7 -39.87 80.29 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.163 -1.586 . . . . 0.0 111.808 167.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -63.65 -35.31 80.11 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.251 -0.905 . . . . 0.0 111.344 170.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.88 95.56 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.98 0.912 . . . . 0.0 112.672 174.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -62.6 -39.46 93.8 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 121.134 -0.979 . . . . 0.0 111.845 170.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -59.57 -30.25 68.51 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.753 -1.217 . . . . 0.0 113.681 169.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.0 mmt -72.14 -38.03 69.31 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.759 1.163 . . . . 0.0 112.437 171.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.26 -44.34 83.85 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 118.868 0.758 . . . . 0.0 111.709 169.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.34 -41.6 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.271 1.029 . . . . 0.0 111.702 172.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -39.69 86.32 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.118 0.872 . . . . 0.0 110.155 -178.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.14 -48.78 64.45 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.91 0.884 . . . . 0.0 112.772 177.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.78 -34.73 78.84 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.843 0.857 . . . . 0.0 112.392 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.2 t -68.37 -40.64 81.38 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.278 1.031 . . . . 0.0 112.877 171.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -58.12 -44.13 87.58 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.543 0.737 . . . . 0.0 111.975 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.09 -54.35 36.9 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.444 0.64 . . . . 0.0 111.562 172.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.13 -28.47 65.4 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.516 1.126 . . . . 0.0 113.682 -171.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.95 -42.17 27.56 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.328 1.051 . . . . 0.0 111.44 172.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.1 tp -69.89 -31.83 69.85 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.327 -0.858 . . . . 0.0 112.169 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -64.3 -30.62 71.66 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.196 0.999 . . . . 0.0 113.127 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -60.15 -38.66 83.82 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.288 1.035 . . . . 0.0 111.308 170.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -94.67 -0.49 54.34 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.309 1.844 . . . . 0.0 113.839 -175.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 t -64.15 20.53 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 129.037 2.935 . . . . 0.0 116.145 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.4 m -62.42 -14.29 38.98 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.03 1.332 . . . . 0.0 113.535 -171.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.8 t -134.82 137.48 43.36 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.67 1.588 . . . . 0.0 107.979 157.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.4 tttm -71.09 -29.91 65.89 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.897 0.879 . . . . 0.0 111.704 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -53.47 -45.14 69.48 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.56 0.744 . . . . 0.0 110.823 170.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -72.81 -41.94 64.38 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.504 0.722 . . . . 0.0 112.629 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -58.25 -53.0 63.21 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.991 0.916 . . . . 0.0 110.992 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -64.9 -44.7 88.71 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 122.952 0.501 . . . . 0.0 111.331 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -59.84 -41.37 91.22 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.024 0.929 . . . . 0.0 111.813 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.8 m -72.77 -44.49 61.51 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.37 0.668 . . . . 0.0 111.793 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 38.4 ttm -59.49 -46.65 88.19 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.286 0.494 . . . . 0.0 111.063 174.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -39.36 93.92 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.215 0.461 . . . . 0.0 112.212 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.1 m -71.63 -32.68 68.22 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.286 -0.883 . . . . 0.0 113.333 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -75.49 -38.61 59.41 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 118.81 -0.614 . . . . 0.0 112.384 171.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.4 mt -56.64 -48.3 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 118.944 0.793 . . . . 0.0 110.458 171.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -64.5 -40.45 95.67 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.236 0.925 . . . . 0.0 112.777 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.28 92.09 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.663 -0.648 . . . . 0.0 112.255 176.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.7 mmm -77.06 -32.91 57.15 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.082 -1.011 . . . . 0.0 112.517 177.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -63.82 -37.87 89.0 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.467 1.507 . . . . 0.0 112.13 170.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.1 m -72.35 -26.76 62.04 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.53 0.732 . . . . 0.0 112.826 167.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.9 m -71.93 -29.86 64.73 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 120.749 -1.219 . . . . 0.0 112.765 175.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -49.92 -48.43 51.78 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 120.258 1.39 . . . . 0.0 111.772 170.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -67.2 -33.65 75.82 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 126.184 1.794 . . . . 0.0 111.074 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -65.79 -48.39 71.92 Favored 'General case' 0 CA--C 1.518 -0.283 0 O-C-N 121.177 -0.952 . . . . 0.0 112.046 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 75.3 mmt-85 -60.29 -22.37 63.06 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.527 0.731 . . . . 0.0 112.773 172.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -79.78 -40.83 27.83 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.699 0.799 . . . . 0.0 111.491 173.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -71.67 -33.48 68.89 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.21 1.404 . . . . 0.0 112.585 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -67.7 -28.16 67.43 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.922 1.289 . . . . 0.0 112.405 166.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.5 m -72.36 -38.64 68.49 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 118.55 0.614 . . . . 0.0 111.836 172.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 72.9 t -66.91 -34.52 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.44 1.096 . . . . 0.0 111.418 170.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -83.38 22.33 7.5 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 126.903 2.192 . . . . 0.0 115.272 172.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--O 1.251 1.142 0 CA-C-N 119.646 1.723 . . . . 0.0 112.801 179.306 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.0 p -67.06 3.92 1.01 Allowed 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 p -56.45 -22.15 30.17 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.069 1.747 . . . . 0.0 114.816 169.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -58.29 -17.24 18.12 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 170.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -88.42 -11.05 47.17 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.678 1.591 . . . . 0.0 113.987 176.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -89.04 26.06 1.67 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.279 1.431 . . . . 0.0 112.628 -167.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.62 116.22 47.48 Favored Pre-proline 0 CA--C 1.552 1.022 0 C-N-CA 125.772 1.629 . . . . 0.0 109.837 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -65.97 141.46 64.57 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.408 2.072 . . . . 0.0 113.324 -173.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.4 ptt? -60.34 -30.76 69.73 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.345 -0.847 . . . . 0.0 111.938 171.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -66.7 -33.24 75.19 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.009 0.822 . . . . 0.0 113.14 173.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 73.9 tp60 -69.29 -42.92 74.82 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.337 0.655 . . . . 0.0 110.811 173.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 mtm-85 -59.47 -48.98 79.55 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.256 0.48 . . . . 0.0 110.677 173.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 m -58.01 -33.62 69.14 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 175.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -73.11 -38.08 66.47 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.54 1.136 . . . . 0.0 112.543 176.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -67.02 -43.98 81.45 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.774 0.83 . . . . 0.0 111.009 173.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.41 -40.42 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 124.602 1.161 . . . . 0.0 110.417 170.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.87 85.76 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.719 1.145 . . . . 0.0 113.15 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.11 -47.7 78.99 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.422 1.01 . . . . 0.0 111.513 170.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tt -57.48 -49.93 74.69 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.059 0.944 . . . . 0.0 111.784 176.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -43.83 97.34 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.605 1.562 . . . . 0.0 110.447 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.4 m -64.63 -33.02 74.94 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.17 0.988 . . . . 0.0 112.418 177.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.5 t -74.6 -41.08 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.942 0.897 . . . . 0.0 111.616 172.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.6 mt -65.33 -37.2 86.36 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.911 1.232 . . . . 0.0 112.363 174.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.5 mmt -60.49 -31.67 70.69 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.082 1.353 . . . . 0.0 111.597 168.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.68 -35.19 74.9 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.167 -0.958 . . . . 0.0 112.518 170.086 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.9 mm -63.76 -42.6 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-N 120.278 1.399 . . . . 0.0 109.459 173.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.54 -43.92 97.99 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.948 0.899 . . . . 0.0 111.667 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -68.22 -29.88 68.82 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.724 1.209 . . . . 0.0 113.954 174.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.6 mt -79.87 -38.03 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.43 1.013 . . . . 0.0 111.374 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -78.54 -21.33 48.94 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 119.256 0.935 . . . . 0.0 113.252 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.25 51.49 9.96 Favored Glycine 0 N--CA 1.469 0.836 0 O-C-N 121.662 -0.649 . . . . 0.0 111.537 -169.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.32 151.36 29.69 Favored Glycine 0 CA--C 1.53 1.002 0 CA-C-O 122.814 1.23 . . . . 0.0 114.6 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.23 158.3 36.12 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.538 1.935 . . . . 0.0 113.705 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.2 t -59.3 -30.24 68.19 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.158 0.983 . . . . 0.0 113.501 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.4 p -76.86 -33.86 57.86 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 121.158 -0.964 . . . . 0.0 112.46 173.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -66.69 -31.32 71.91 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.252 -1.53 . . . . 0.0 111.15 169.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.42 -30.75 69.71 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 121.138 -0.976 . . . . 0.0 112.298 170.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.46 -42.06 92.69 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.941 -1.099 . . . . 0.0 112.535 167.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -60.4 -34.35 73.79 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.556 0.946 . . . . 0.0 113.556 171.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.5 mmt -64.78 -41.15 96.06 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.574 1.079 . . . . 0.0 112.364 174.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -58.31 -43.38 88.1 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.79 0.436 . . . . 0.0 111.164 172.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.38 -41.72 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.187 0.995 . . . . 0.0 112.305 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -65.97 -42.68 89.57 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 119.393 0.997 . . . . 0.0 110.371 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.76 94.6 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.005 0.522 . . . . 0.0 112.359 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -71.2 -37.86 72.09 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.156 0.982 . . . . 0.0 112.142 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 84.1 p -73.64 -35.43 65.28 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.382 0.992 . . . . 0.0 112.913 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -55.11 -52.55 62.9 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.744 0.818 . . . . 0.0 111.86 171.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -40.04 75.87 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.46 -30.9 70.89 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.283 0.947 . . . . 0.0 112.849 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.2 -44.19 22.36 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.101 0.96 . . . . 0.0 111.802 173.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.0 tp -65.38 -29.48 70.2 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 120.651 -1.28 . . . . 0.0 112.275 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -63.24 -32.47 73.88 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.854 1.262 . . . . 0.0 112.484 173.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -72.93 -15.78 61.56 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.627 -1.295 . . . . 0.0 114.235 170.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -97.52 -2.82 41.05 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.16 1.784 . . . . 0.0 114.058 173.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.9 p -66.38 21.1 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 127.879 2.472 . . . . 0.0 116.498 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.8 p -62.05 -15.55 45.5 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 120.551 -1.343 . . . . 0.0 113.162 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.9 m -128.89 142.37 50.98 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.227 2.211 . . . . 0.0 109.716 158.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.6 tttm -63.02 -38.84 92.79 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.794 1.238 . . . . 0.0 111.021 171.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.85 -39.85 86.56 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.343 0.657 . . . . 0.0 112.467 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -72.48 -38.47 68.19 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.082 1.31 . . . . 0.0 112.501 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -60.83 -50.98 71.26 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 117.975 0.352 . . . . 0.0 110.16 171.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.33 -46.95 78.24 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.601 -0.687 . . . . 0.0 112.132 -177.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -69.57 -37.15 76.87 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.781 0.719 . . . . 0.0 111.921 -172.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 m -72.84 -42.05 64.18 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.437 0.695 . . . . 0.0 111.356 176.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -54.33 -52.15 62.45 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.23 1.012 . . . . 0.0 111.244 171.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -66.58 -33.14 75.01 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.9 t -66.62 -45.96 77.41 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.705 0.802 . . . . 0.0 111.601 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -75.58 -32.77 60.48 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 176.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.9 mt -62.86 -45.18 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 119.73 1.15 . . . . 0.0 110.248 169.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.21 -40.03 84.53 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.407 1.003 . . . . 0.0 112.103 172.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.47 -40.34 93.06 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.37 0.986 . . . . 0.0 113.141 177.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.6 mmt -73.72 -39.18 64.5 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 121.282 -0.886 . . . . 0.0 112.407 176.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -67.57 -30.74 70.44 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.262 1.425 . . . . 0.0 111.513 174.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.8 m -69.98 -39.36 75.99 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.772 0.829 . . . . 0.0 111.885 165.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 53.1 m -65.04 -33.53 76.26 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 117.843 -1.075 . . . . 0.0 112.976 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -48.76 -48.36 41.03 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 120.556 1.525 . . . . 0.0 112.896 175.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -69.68 -29.01 66.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.655 -175.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -76.46 -43.4 40.11 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.436 1.094 . . . . 0.0 112.662 173.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -53.99 -23.75 14.37 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.312 1.045 . . . . 0.0 112.989 170.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.65 -22.95 46.09 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 174.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -71.34 -28.64 64.22 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.737 1.615 . . . . 0.0 112.304 173.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.94 -22.97 65.92 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.947 0.899 . . . . 0.0 111.954 169.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.9 m -94.38 -20.09 20.04 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.825 1.25 . . . . 0.0 114.135 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.1 t -141.96 114.51 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.724 1.61 . . . . 0.0 111.16 -171.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -78.21 -8.8 87.37 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 126.182 1.848 . . . . 0.0 116.727 -173.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.6 m . . . . . 0 C--O 1.251 1.141 0 CA-C-N 119.766 1.783 . . . . 0.0 111.869 170.161 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 mmt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 121.055 0.455 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m 66.18 -2.47 0.97 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 117.441 2.386 . . . . 0.0 117.441 165.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.3 p -90.56 -29.36 17.89 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -175.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -14.89 3.83 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 125.473 1.509 . . . . 0.0 114.519 176.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -79.31 -13.11 59.86 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.805 2.042 . . . . 0.0 112.935 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 m -94.29 25.56 3.77 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 128.01 2.524 . . . . 0.0 111.817 -173.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -55.86 129.96 72.2 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 126.025 1.73 . . . . 0.0 111.666 -164.648 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 7' ' ' ILE . 51.7 Cg_exo -62.05 136.61 61.9 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.779 2.986 . . . . 0.0 114.027 -176.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.7 ptm -61.29 -31.14 70.97 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.583 -0.698 . . . . 0.0 112.16 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -62.22 -39.45 92.83 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.387 -0.821 . . . . 0.0 111.795 173.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -71.54 -39.02 70.97 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.551 0.74 . . . . 0.0 111.486 176.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.3 mtm105 -59.4 -44.91 92.74 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 118.45 -0.786 . . . . 0.0 111.197 171.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.9 m -62.2 -35.92 80.35 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.389 0.676 . . . . 0.0 112.644 174.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -70.14 -35.29 73.94 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.006 -1.059 . . . . 0.0 112.297 176.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -71.62 -33.65 69.15 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.44 0.696 . . . . 0.0 112.352 171.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.78 -35.69 66.07 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 124.71 1.204 . . . . 0.0 111.433 167.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.55 -36.52 80.84 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 120.129 1.331 . . . . 0.0 113.081 -176.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -64.31 -44.63 90.98 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.373 1.069 . . . . 0.0 111.899 173.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tt -62.65 -43.4 98.91 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.329 1.451 . . . . 0.0 111.57 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -43.0 93.8 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.174 1.389 . . . . 0.0 110.521 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.1 m -58.26 -38.95 77.94 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.073 0.949 . . . . 0.0 112.534 174.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 t -73.37 -38.98 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.365 1.066 . . . . 0.0 112.138 176.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.9 mt -71.3 -36.82 71.79 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.904 1.229 . . . . 0.0 112.699 176.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.5 mmt -55.52 -42.8 75.03 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.292 1.037 . . . . 0.0 111.136 166.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.46 -36.96 79.5 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.676 0.79 . . . . 0.0 112.701 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.9 mm -60.89 -45.24 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 120.217 1.372 . . . . 0.0 109.261 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -67.94 -38.0 82.29 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.326 0.651 . . . . 0.0 112.144 -174.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -71.82 -48.95 42.74 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.145 0.978 . . . . 0.0 111.817 173.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.34 -48.47 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.741 0.817 . . . . 0.0 111.358 -176.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -93.84 9.27 37.95 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -172.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.64 39.84 77.68 Favored Glycine 0 N--CA 1.471 1.008 0 O-C-N 121.203 -0.935 . . . . 0.0 115.3 173.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.2 152.1 47.91 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 122.106 0.836 . . . . 0.0 113.326 174.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -67.3 157.51 33.76 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.811 1.644 . . . . 0.0 112.152 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -65.78 -22.48 66.58 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.743 -1.223 . . . . 0.0 112.945 173.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.9 p -74.3 -34.63 63.57 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.234 -1.541 . . . . 0.0 112.073 166.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.0 m -63.85 -39.8 95.06 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 120.737 -1.227 . . . . 0.0 110.657 168.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.8 84.73 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.354 1.062 . . . . 0.0 112.371 171.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -65.77 -39.1 90.69 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.002 -1.061 . . . . 0.0 112.34 172.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -66.45 -29.25 69.34 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 120.817 -1.177 . . . . 0.0 113.218 171.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.4 mmt -64.04 -43.47 95.44 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.697 1.135 . . . . 0.0 111.808 168.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -57.57 -45.17 85.53 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 118.967 0.803 . . . . 0.0 111.377 174.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.7 t -61.56 -42.7 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.498 1.119 . . . . 0.0 112.321 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -68.09 -40.73 82.57 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.407 1.083 . . . . 0.0 110.564 -178.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.25 -46.93 81.63 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.528 0.731 . . . . 0.0 111.796 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -71.49 -26.57 62.75 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.779 1.232 . . . . 0.0 112.504 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.5 t -69.9 -32.47 70.81 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.255 1.422 . . . . 0.0 113.101 169.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -71.47 -44.46 64.71 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -176.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.65 -36.11 77.87 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.552 1.069 . . . . 0.0 112.136 173.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.96 -26.0 65.72 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.1 0.96 . . . . 0.0 113.209 178.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.35 -43.02 21.85 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.177 0.991 . . . . 0.0 112.189 167.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.2 tp -71.59 -27.67 63.29 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.484 -0.76 . . . . 0.0 112.761 -175.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -57.21 -32.96 67.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.016 0.926 . . . . 0.0 112.345 173.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -70.57 -17.96 62.91 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -97.43 -7.16 32.29 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.321 1.848 . . . . 0.0 114.091 174.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.9 t -66.41 22.2 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 128.523 2.729 . . . . 0.0 117.743 -167.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.2 p -60.51 -12.89 11.04 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.0 m -140.62 137.97 34.03 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.25 0.932 . . . . 0.0 109.833 158.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -58.13 -33.9 69.65 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.265 0.626 . . . . 0.0 112.138 174.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -63.08 -35.43 80.22 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.684 1.194 . . . . 0.0 111.883 176.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.82 -36.53 50.07 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.277 1.031 . . . . 0.0 112.03 175.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -60.49 -50.16 74.67 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.636 -0.665 . . . . 0.0 110.619 170.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -63.51 -43.53 96.95 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.502 1.121 . . . . 0.0 112.323 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -60.35 -45.24 94.16 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.498 0.719 . . . . 0.0 111.66 172.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.7 m -73.41 -35.38 65.85 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.782 -0.574 . . . . 0.0 111.829 -174.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 67.8 mmm -56.99 -50.8 71.59 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.77 0.714 . . . . 0.0 111.255 167.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -58.46 -43.07 88.71 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.498 1.119 . . . . 0.0 111.733 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 t -64.22 -42.65 96.5 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.962 1.305 . . . . 0.0 113.073 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -43.8 86.78 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.031 0.932 . . . . 0.0 111.317 173.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.89 -38.92 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 124.592 1.157 . . . . 0.0 111.38 176.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -63.01 -42.17 99.75 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.868 1.213 . . . . 0.0 112.063 174.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.2 -35.73 81.76 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 176.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.4 mtt -77.3 -33.08 55.74 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.291 1.036 . . . . 0.0 113.094 175.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 36.9 mtt-85 -59.77 -45.78 91.22 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.54 1.136 . . . . 0.0 110.83 168.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.9 m -57.98 -32.38 67.82 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.954 0.902 . . . . 0.0 112.168 172.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.2 m -69.53 -46.61 66.1 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 117.519 -1.229 . . . . 0.0 112.131 171.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -50.06 -46.21 53.01 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 120.638 1.563 . . . . 0.0 111.155 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -68.21 -35.97 78.79 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.277 1.831 . . . . 0.0 111.843 -174.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -70.68 -51.57 26.84 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.828 0.823 . . . . 0.0 112.218 173.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -56.92 -17.46 9.66 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.193 -1.367 . . . . 0.0 113.003 173.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -75.21 -50.56 15.82 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 118.747 0.703 . . . . 0.0 111.125 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -79.07 -31.88 44.6 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -170.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.56 -16.78 64.37 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 166.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.5 m -92.3 -48.21 6.79 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.614 0.766 . . . . 0.0 111.959 171.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.8 m -141.36 111.26 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 126.5 1.92 . . . . 0.0 110.838 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -85.65 1.21 88.25 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.181 1.372 . . . . 0.0 116.4 -173.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 C--O 1.252 1.217 0 C-N-CA 125.466 1.506 . . . . 0.0 112.144 177.725 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.7 ttp . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -81.15 25.39 0.48 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -156.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m -55.76 -44.09 77.33 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 120.155 1.343 . . . . 0.0 113.379 -173.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -59.74 -34.06 72.46 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.876 1.27 . . . . 0.0 113.014 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -85.97 -1.69 57.57 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 127.208 2.203 . . . . 0.0 113.684 175.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.1 m -125.0 26.58 6.96 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 126.875 2.07 . . . . 0.0 111.548 -171.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -46.86 123.62 7.77 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 127.86 2.464 . . . . 0.0 111.637 176.263 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -51.14 134.17 42.95 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 124.579 3.519 . . . . 0.0 115.999 -167.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -34.45 55.62 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.287 1.035 . . . . 0.0 113.24 175.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -67.61 -37.9 83.18 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 174.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -70.99 -34.8 71.72 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.686 -1.258 . . . . 0.0 112.082 172.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 71.6 mtm-85 -63.56 -44.26 94.65 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.905 0.775 . . . . 0.0 111.18 172.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.8 m -66.22 -28.69 68.93 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.061 0.944 . . . . 0.0 113.175 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -69.24 -42.72 75.28 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.474 1.11 . . . . 0.0 111.987 171.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -61.59 -43.2 99.3 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.974 0.806 . . . . 0.0 111.79 172.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.7 t -57.64 -35.96 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 124.594 1.157 . . . . 0.0 111.219 174.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.66 74.99 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.494 1.043 . . . . 0.0 113.362 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -65.57 -41.84 92.44 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.469 -0.77 . . . . 0.0 111.674 172.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.95 -46.54 84.22 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.444 1.498 . . . . 0.0 111.69 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -47.24 71.59 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 124.674 1.19 . . . . 0.0 111.534 175.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.9 m -66.55 -30.67 71.03 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.081 0.953 . . . . 0.0 112.132 -177.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.5 t -74.53 -46.06 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 118.564 -0.732 . . . . 0.0 111.306 170.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.426 ' HA ' HG12 ' A' ' 26' ' ' ILE . 38.9 mt -66.52 -33.36 75.51 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.057 1.298 . . . . 0.0 112.874 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 70.5 mmm -59.18 -37.3 77.03 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.014 1.325 . . . . 0.0 111.468 166.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -39.64 93.19 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.214 0.606 . . . . 0.0 111.995 171.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.426 HG12 ' HA ' ' A' ' 23' ' ' LEU . 23.8 mm -62.38 -45.82 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 119.274 0.943 . . . . 0.0 108.823 176.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -65.71 -35.99 82.33 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -71.34 -42.46 68.49 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.329 1.052 . . . . 0.0 112.331 177.183 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.0 mt -68.3 -40.91 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.458 1.103 . . . . 0.0 110.669 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -72.2 -25.81 61.81 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.874 0.869 . . . . 0.0 113.218 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.06 51.05 36.04 Favored Glycine 0 CA--C 1.526 0.777 0 CA-C-N 119.331 0.969 . . . . 0.0 112.533 -173.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.13 -160.74 25.25 Favored Glycine 0 CA--C 1.535 1.328 0 CA-C-O 121.962 0.757 . . . . 0.0 112.974 165.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -117.83 168.25 10.65 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.505 2.322 . . . . 0.0 112.112 -170.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 t -59.54 -28.93 67.53 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.649 1.179 . . . . 0.0 112.49 168.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.9 m -69.22 -40.05 78.21 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.202 1.001 . . . . 0.0 111.676 169.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 m -67.65 -35.57 79.12 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.114 -0.991 . . . . 0.0 111.073 175.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.07 95.24 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.947 0.899 . . . . 0.0 112.077 171.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -62.25 -43.35 99.02 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.181 0.901 . . . . 0.0 112.592 170.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -61.74 -30.79 71.01 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.119 -0.988 . . . . 0.0 113.384 174.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.5 mmt -73.53 -41.12 63.43 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.024 0.93 . . . . 0.0 112.607 169.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -59.14 -42.05 89.72 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.165 1.386 . . . . 0.0 112.201 175.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 t -57.46 -37.04 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 126.061 1.745 . . . . 0.0 112.244 170.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -71.99 -35.24 69.42 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.277 1.031 . . . . 0.0 111.064 -176.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.04 -44.76 60.35 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.013 0.925 . . . . 0.0 112.514 175.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -63.34 -33.0 74.57 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.586 1.155 . . . . 0.0 112.69 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.2 p -78.59 -31.08 47.02 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.259 1.024 . . . . 0.0 113.641 173.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -62.42 -52.15 64.7 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.924 0.89 . . . . 0.0 112.78 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.9 -41.13 77.55 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.848 0.749 . . . . 0.0 111.919 177.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.01 -34.93 73.94 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.969 1.308 . . . . 0.0 114.011 -176.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.38 -40.39 51.15 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.367 0.667 . . . . 0.0 111.169 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.0 tp -70.96 -28.83 64.75 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 122.89 0.476 . . . . 0.0 111.988 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -63.97 -28.36 69.76 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.723 1.609 . . . . 0.0 113.267 172.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -71.94 -40.36 68.79 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.465 -1.397 . . . . 0.0 112.092 166.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -88.18 2.35 52.38 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.458 1.503 . . . . 0.0 115.048 -173.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 85.2 p -62.32 23.6 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 131.035 3.734 . . . . 0.0 118.019 -173.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.7 m -60.37 -20.3 58.98 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.469 -1.395 . . . . 0.0 114.528 -159.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.2 m -136.33 144.05 44.44 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.081 1.352 . . . . 0.0 110.253 154.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -60.87 -32.92 72.34 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.58 1.152 . . . . 0.0 111.38 176.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -55.8 -38.47 70.0 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.74 1.216 . . . . 0.0 112.684 173.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -81.45 -38.84 25.78 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.973 0.909 . . . . 0.0 112.494 174.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -56.67 -50.9 70.75 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.103 0.865 . . . . 0.0 110.567 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -72.79 -30.32 64.0 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.566 -0.709 . . . . 0.0 112.898 -177.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.39 -45.03 92.61 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.181 -0.95 . . . . 0.0 110.827 166.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.2 m -75.94 -39.48 56.04 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.003 0.921 . . . . 0.0 112.904 -174.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -64.71 -41.79 95.74 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.237 1.015 . . . . 0.0 111.635 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -64.96 -49.42 70.37 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.311 1.044 . . . . 0.0 109.83 170.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.9 m -65.79 -26.92 67.91 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.744 1.156 . . . . 0.0 114.12 -174.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -75.26 -43.5 51.08 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.595 1.089 . . . . 0.0 112.231 173.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 23.1 mt -56.37 -37.79 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.035 0.534 . . . . 0.0 110.554 167.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -66.37 -44.12 84.03 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.298 1.039 . . . . 0.0 112.981 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.27 93.37 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.079 0.552 . . . . 0.0 110.914 172.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.2 mtt -68.79 -38.28 79.88 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.527 -0.733 . . . . 0.0 112.824 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.0 mtm105 -60.26 -40.0 88.77 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 120.858 -1.151 . . . . 0.0 111.511 168.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.1 m -67.37 -36.7 81.9 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.91 0.884 . . . . 0.0 111.744 176.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.2 m -66.95 -42.01 85.97 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.663 1.185 . . . . 0.0 112.101 172.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -50.83 -39.94 54.58 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.766 1.626 . . . . 0.0 112.496 172.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.72 -40.19 66.33 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.027 1.331 . . . . 0.0 111.683 176.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -61.77 -49.89 74.54 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 120.566 -1.334 . . . . 0.0 113.513 175.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 72.2 mmt-85 -58.63 -17.53 22.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.914 0.886 . . . . 0.0 112.832 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -77.97 -41.56 35.68 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.301 0.955 . . . . 0.0 112.197 173.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 72.7 mtm-85 -63.78 -41.45 97.94 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.881 0.872 . . . . 0.0 111.517 173.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.07 -15.91 63.06 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 124.745 1.218 . . . . 0.0 112.984 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.4 t -95.42 -48.39 5.88 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 119.673 1.124 . . . . 0.0 112.898 172.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.8 m -140.32 4.02 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 -166.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.87 27.17 68.1 Favored Glycine 0 CA--C 1.541 1.667 0 N-CA-C 116.642 1.417 . . . . 0.0 116.642 170.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.0 p . . . . . 0 C--O 1.252 1.192 0 C-N-CA 125.006 1.322 . . . . 0.0 113.986 -174.339 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 119.665 -0.207 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -88.84 8.46 29.03 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 -177.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -50.42 -28.8 8.85 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.119 2.168 . . . . 0.0 115.503 -173.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -48.92 -31.05 6.64 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.201 1.8 . . . . 0.0 113.589 171.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -78.29 -15.14 59.04 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.345 1.458 . . . . 0.0 112.278 -178.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.1 m -122.8 -9.12 8.37 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.169 1.388 . . . . 0.0 112.519 -161.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.33 118.69 9.7 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 126.775 2.03 . . . . 0.0 111.079 -175.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -58.73 135.82 69.69 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.44 2.76 . . . . 0.0 114.75 -168.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 69.5 mtm -66.04 -20.66 66.25 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 172.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -67.71 -34.77 77.53 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 120.276 1.398 . . . . 0.0 112.842 166.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -71.1 -53.17 15.54 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.135 0.879 . . . . 0.0 110.506 175.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -52.79 -47.95 67.19 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.751 0.705 . . . . 0.0 111.343 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.3 m -62.97 -27.47 69.42 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -73.46 -32.82 64.55 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 120.033 1.288 . . . . 0.0 112.007 171.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -71.36 -48.53 49.53 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.138 0.881 . . . . 0.0 111.31 172.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.7 t -56.05 -34.34 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 126.437 1.895 . . . . 0.0 111.312 173.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.14 -29.5 70.38 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.169 0.895 . . . . 0.0 112.764 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -74.62 -38.28 62.59 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.282 1.433 . . . . 0.0 112.031 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.94 -45.58 94.13 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.19 1.796 . . . . 0.0 110.466 166.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -48.17 81.09 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.166 0.986 . . . . 0.0 112.745 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.9 m -54.44 -37.31 65.01 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.984 0.913 . . . . 0.0 112.354 175.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.1 t -74.22 -42.54 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.161 0.984 . . . . 0.0 111.873 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.3 mt -66.56 -37.21 84.47 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.866 0.757 . . . . 0.0 112.47 175.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.9 mmt -60.89 -33.56 73.3 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.552 1.541 . . . . 0.0 111.706 170.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -34.68 78.67 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.441 -0.787 . . . . 0.0 112.121 174.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 mm -64.49 -36.97 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 O-C-N 121.335 -0.853 . . . . 0.0 110.191 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -61.8 -37.96 86.33 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.796 0.838 . . . . 0.0 111.826 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt -77.86 -30.78 51.09 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.461 1.504 . . . . 0.0 113.593 173.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.0 mt -75.12 -41.22 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.462 1.105 . . . . 0.0 112.192 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -112.98 14.22 19.64 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.012 1.325 . . . . 0.0 113.813 -167.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.3 21.38 75.83 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 121.043 -1.035 . . . . 0.0 115.463 175.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.81 142.74 48.35 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-N 118.109 0.955 . . . . 0.0 112.626 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.15 176.78 8.17 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.687 1.195 . . . . 0.0 113.482 177.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.3 p -62.86 -28.92 70.36 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.0 m -69.5 -40.18 77.15 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.511 1.125 . . . . 0.0 111.177 173.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.9 m -60.09 -41.12 91.79 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.556 0.742 . . . . 0.0 110.659 171.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.39 -34.8 76.68 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 121.392 -0.817 . . . . 0.0 112.717 175.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -63.28 -36.8 84.88 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 120.746 -1.221 . . . . 0.0 112.574 169.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -70.96 -29.39 65.39 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 170.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.6 mmt -62.07 -43.18 99.39 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.282 1.401 . . . . 0.0 111.576 168.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -57.09 -42.13 80.16 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.972 0.509 . . . . 0.0 111.779 171.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.5 t -69.35 -30.15 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 123.787 0.835 . . . . 0.0 112.802 174.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.38 -35.91 76.28 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 120.337 -1.477 . . . . 0.0 110.072 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.11 -48.18 58.67 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.205 1.002 . . . . 0.0 112.467 172.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -65.86 -31.03 71.75 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.348 1.059 . . . . 0.0 113.712 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.8 p -78.55 -24.85 45.42 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.72 1.208 . . . . 0.0 113.139 170.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.401 ' CD1' ' HE2' ' A' ' 68' ' ' LYS . 37.9 t80 -68.11 -45.68 73.04 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.522 1.055 . . . . 0.0 111.879 168.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -52.66 -51.74 58.86 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 121.647 0.737 . . . . 0.0 110.135 171.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.45 -33.82 76.41 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.48 -44.84 61.73 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.572 0.749 . . . . 0.0 111.29 175.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.6 tp -74.17 -28.07 61.12 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.583 1.153 . . . . 0.0 112.475 -175.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -60.63 -32.92 72.05 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.284 1.034 . . . . 0.0 112.394 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -71.5 -29.42 64.79 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.0 -1.063 . . . . 0.0 113.086 171.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -83.75 -3.2 57.61 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.763 1.625 . . . . 0.0 113.156 177.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.5 t -69.06 21.83 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 128.155 2.582 . . . . 0.0 116.408 -167.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.0 m -68.41 1.21 3.18 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -172.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.1 t -146.96 144.62 29.33 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.793 1.237 . . . . 0.0 109.529 152.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -68.04 -38.67 82.77 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.591 0.756 . . . . 0.0 110.932 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -54.44 -41.5 69.47 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.274 1.03 . . . . 0.0 111.125 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -78.57 -36.14 44.88 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.721 0.808 . . . . 0.0 112.794 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -60.03 -52.78 63.91 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.703 1.138 . . . . 0.0 110.596 174.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -71.23 -33.76 70.16 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.577 -0.702 . . . . 0.0 112.65 -176.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.95 -41.21 82.8 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.24 0.616 . . . . 0.0 111.785 171.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.0 m -68.44 -33.62 74.52 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.782 0.719 . . . . 0.0 111.704 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 61.0 tpp -62.03 -45.96 91.28 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.328 0.967 . . . . 0.0 111.692 170.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -62.02 -44.22 97.18 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.998 0.919 . . . . 0.0 111.407 174.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.1 t -60.6 -38.92 86.26 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.787 1.235 . . . . 0.0 112.983 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.401 ' HE2' ' CD1' ' A' ' 47' ' ' PHE . 53.7 tptt -68.06 -46.68 70.39 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.264 1.426 . . . . 0.0 112.151 175.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 57.5 mt -53.46 -49.17 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.428 1.091 . . . . 0.0 109.473 173.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.71 -41.56 95.91 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.61 1.164 . . . . 0.0 113.753 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.67 93.27 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.719 0.808 . . . . 0.0 111.935 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.6 mtt -71.3 -29.55 65.17 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.933 0.893 . . . . 0.0 112.153 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -36.88 85.08 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.701 1.137 . . . . 0.0 111.413 168.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.7 t -64.7 -41.56 95.92 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.869 -0.52 . . . . 0.0 111.903 170.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.2 m -59.73 -47.57 85.14 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.5 0.72 . . . . 0.0 111.388 173.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.05 -42.87 50.59 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 128.043 2.537 . . . . 0.0 114.144 176.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.15 -30.91 58.31 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.382 0.673 . . . . 0.0 112.295 178.161 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.1 tttt -70.42 -46.05 64.67 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.184 0.994 . . . . 0.0 112.443 175.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -53.58 -27.71 28.03 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.549 1.14 . . . . 0.0 111.924 168.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -77.48 -39.37 46.74 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.517 1.053 . . . . 0.0 112.272 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -64.96 -38.17 90.08 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.166 0.986 . . . . 0.0 112.441 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -75.24 -21.43 58.59 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 124.528 1.131 . . . . 0.0 113.072 173.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t -92.23 -44.0 9.01 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 119.835 1.198 . . . . 0.0 112.982 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.8 t -87.87 -26.46 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.496 1.518 . . . . 0.0 111.711 -177.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.8 -16.59 36.6 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 125.215 1.388 . . . . 0.0 116.378 167.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.1 p . . . . . 0 N--CA 1.48 1.059 0 CA-C-N 119.244 1.522 . . . . 0.0 114.372 177.74 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ttt . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 m -77.18 25.41 0.16 Allowed 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 -169.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -49.55 -34.99 18.96 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 127.493 2.317 . . . . 0.0 114.8 -176.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -55.09 -22.1 15.11 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.812 1.645 . . . . 0.0 113.959 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -89.63 -18.43 26.52 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.404 1.081 . . . . 0.0 113.517 -175.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.5 m -126.35 5.68 6.99 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.642 1.177 . . . . 0.0 112.682 -160.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.442 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -55.94 130.17 72.82 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 126.282 1.833 . . . . 0.0 110.153 176.727 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 7' ' ' ILE . 52.7 Cg_exo -60.61 139.45 85.95 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.411 2.074 . . . . 0.0 114.101 -174.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.1 ptp -64.19 -30.22 71.29 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.925 -0.485 . . . . 0.0 111.567 177.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -66.33 -40.85 90.13 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.68 1.192 . . . . 0.0 111.109 175.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -66.5 -42.15 87.82 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.5 -0.75 . . . . 0.0 111.474 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -61.56 -46.6 89.24 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.874 -0.516 . . . . 0.0 110.982 168.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.4 m -60.92 -35.27 76.27 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -66.3 -35.92 81.63 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.468 1.031 . . . . 0.0 112.561 173.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -71.9 -38.66 69.92 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.458 0.703 . . . . 0.0 112.086 174.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.63 -43.32 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.692 0.797 . . . . 0.0 110.736 171.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.03 -35.69 81.25 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.338 0.972 . . . . 0.0 112.599 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -64.66 -45.62 85.97 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.173 1.389 . . . . 0.0 111.459 174.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tt -60.71 -52.6 64.41 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.958 1.703 . . . . 0.0 112.221 172.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.83 -48.41 72.87 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.76 1.624 . . . . 0.0 110.081 -178.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.6 m -63.92 -31.34 72.48 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.508 0.723 . . . . 0.0 112.505 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.9 t -72.86 -40.84 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.111 -0.993 . . . . 0.0 111.75 173.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.2 mt -63.56 -36.95 85.5 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.561 1.073 . . . . 0.0 111.485 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 22.1 mmt -61.23 -26.22 67.6 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.018 1.327 . . . . 0.0 112.969 171.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -67.48 -39.93 85.27 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 120.129 1.331 . . . . 0.0 110.834 171.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.5 mm -64.45 -40.99 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 121.003 -1.06 . . . . 0.0 109.904 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -60.49 -36.44 78.31 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.223 1.009 . . . . 0.0 112.524 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -69.52 -51.6 34.18 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.406 1.083 . . . . 0.0 112.023 169.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 55.9 mt -54.32 -47.35 69.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.139 1.376 . . . . 0.0 111.679 -177.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -95.88 8.68 42.94 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -177.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 67.28 20.26 71.18 Favored Glycine 0 N--CA 1.471 1.018 0 O-C-N 121.076 -1.015 . . . . 0.0 115.154 174.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.7 137.4 48.63 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.461 1.029 . . . . 0.0 112.349 -174.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -60.27 160.55 8.29 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.251 1.021 . . . . 0.0 113.081 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.4 p -60.17 -34.03 73.02 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.471 -1.393 . . . . 0.0 114.133 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.1 m -68.42 -34.73 76.51 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.089 -1.007 . . . . 0.0 110.891 171.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.3 m -64.98 -31.94 73.43 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.759 -1.213 . . . . 0.0 111.358 171.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.97 -35.77 77.11 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.224 -0.923 . . . . 0.0 111.98 170.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -65.54 -38.97 91.17 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.698 -1.251 . . . . 0.0 112.611 169.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -57.37 -30.69 65.09 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.742 -1.224 . . . . 0.0 112.729 168.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.3 mmt -73.72 -39.56 64.2 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.619 1.1 . . . . 0.0 112.805 170.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -54.02 -44.82 71.29 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 119.386 0.994 . . . . 0.0 111.111 170.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.5 t -64.14 -39.22 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.256 1.422 . . . . 0.0 112.467 174.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.56 -39.03 88.3 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.942 -1.099 . . . . 0.0 110.182 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.8 -49.69 56.48 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.698 0.799 . . . . 0.0 112.694 177.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -64.7 -39.14 93.14 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.889 0.876 . . . . 0.0 112.265 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.3 p -73.0 -36.44 67.03 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 176.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -54.04 -50.27 67.06 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.338 0.972 . . . . 0.0 111.632 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . 0.266 0.5 OUTLIER -71.71 -35.6 70.28 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -178.079 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.33 98.3 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.59 0.632 . . . . 0.0 112.118 177.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.07 -36.68 77.91 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.615 0.766 . . . . 0.0 111.606 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.9 tp -72.74 -32.16 65.47 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.165 0.986 . . . . 0.0 112.63 176.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -63.25 -30.54 71.66 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.714 1.206 . . . . 0.0 111.819 174.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -71.47 -32.93 68.84 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 120.817 -1.177 . . . . 0.0 113.297 168.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -81.33 -4.25 55.09 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.319 1.448 . . . . 0.0 114.437 174.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.6 p -66.62 22.48 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 117.333 2.346 . . . . 0.0 117.333 -173.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.2 m -60.4 -8.11 2.48 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.036 1.334 . . . . 0.0 114.123 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.0 p -134.7 150.66 50.63 Favored 'General case' 0 C--O 1.238 0.484 0 O-C-N 121.488 -0.757 . . . . 0.0 111.246 143.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -57.61 -37.09 72.68 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.143 0.977 . . . . 0.0 110.722 169.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -65.38 -28.01 68.97 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -80.12 -38.92 30.55 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 120.296 1.407 . . . . 0.0 112.706 170.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -60.56 -50.89 71.73 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.036 0.834 . . . . 0.0 110.204 174.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -65.58 -41.92 92.33 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.251 -0.88 . . . . 0.0 112.963 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -63.11 -47.03 84.58 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.279 0.945 . . . . 0.0 111.806 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.6 m -70.87 -39.06 73.07 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.503 0.592 . . . . 0.0 111.153 -176.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 63.2 tpp -56.7 -52.58 64.38 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.284 0.633 . . . . 0.0 110.697 172.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -61.82 -43.65 98.42 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.083 0.553 . . . . 0.0 111.305 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.3 m -71.92 -33.92 68.66 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 121.313 -0.867 . . . . 0.0 113.282 -174.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.41 ' HA ' ' HE3' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -74.93 -38.27 61.81 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 118.785 0.72 . . . . 0.0 111.967 172.188 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 59.0 mt -58.78 -47.33 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 118.736 0.698 . . . . 0.0 110.32 170.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -66.93 -34.68 78.3 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.543 1.065 . . . . 0.0 112.793 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.59 -40.23 96.23 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.097 0.862 . . . . 0.0 112.004 171.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.8 mmt -72.77 -38.77 67.19 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 120.944 -1.098 . . . . 0.0 112.337 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.0 mtt-85 -57.74 -44.68 86.24 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.477 1.111 . . . . 0.0 111.412 169.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.1 m -72.59 -22.22 61.01 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.3 1.04 . . . . 0.0 113.12 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.4 m -68.24 -43.3 78.22 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.391 168.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.5 mtm180 -52.98 -39.54 63.11 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 120.476 1.489 . . . . 0.0 112.97 173.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.44 -35.68 75.91 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.763 1.225 . . . . 0.0 111.361 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.6 tttm -78.27 -46.75 19.44 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 174.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.2 mmt85 -53.88 -23.14 11.63 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.138 0.975 . . . . 0.0 112.352 171.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -73.11 -40.78 64.68 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.219 0.918 . . . . 0.0 111.559 174.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.27 -24.62 24.29 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.187 1.395 . . . . 0.0 114.494 -178.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.81 -34.3 77.84 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.524 0.729 . . . . 0.0 110.597 162.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.4 m -88.41 -13.5 40.35 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.6 t 55.99 87.06 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 128.323 2.649 . . . . 0.0 113.777 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -89.64 10.64 72.86 Favored Glycine 0 CA--C 1.541 1.66 0 C-N-CA 125.093 1.33 . . . . 0.0 114.527 168.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 C--O 1.251 1.172 0 C-N-CA 126.684 1.994 . . . . 0.0 113.965 -165.557 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.0 ttp . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m 50.44 34.56 9.44 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 116.752 2.13 . . . . 0.0 116.752 172.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -56.91 -44.02 81.95 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 120.347 -1.471 . . . . 0.0 113.081 -178.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 tmmt? -62.29 -33.06 73.92 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.941 0.896 . . . . 0.0 111.994 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -83.92 -7.62 59.38 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.725 1.21 . . . . 0.0 112.734 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.9 m -106.79 -10.67 15.99 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.064 1.745 . . . . 0.0 112.598 177.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.438 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -60.28 115.47 13.45 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 125.664 1.586 . . . . 0.0 111.195 -168.015 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 7' ' ' ILE . 50.5 Cg_exo -60.13 145.82 97.6 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.078 2.519 . . . . 0.0 113.897 -172.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.5 ttt -61.5 -30.45 70.63 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 122.896 0.479 . . . . 0.0 111.067 170.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -59.91 -44.51 94.25 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.576 -0.703 . . . . 0.0 111.921 173.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -70.34 -40.06 74.34 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.383 -0.823 . . . . 0.0 111.86 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -61.81 -51.05 69.84 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.22 1.008 . . . . 0.0 111.807 173.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.3 m -62.66 -30.2 71.2 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.837 0.855 . . . . 0.0 112.58 175.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -69.8 -39.79 76.37 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.144 0.884 . . . . 0.0 112.15 170.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -31.59 70.77 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.619 1.1 . . . . 0.0 111.336 175.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.2 t -64.75 -42.42 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-O 117.578 -1.201 . . . . 0.0 111.007 167.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.86 -36.05 78.17 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 121.247 1.84 . . . . 0.0 113.232 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -62.82 -38.53 91.07 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.93 1.292 . . . . 0.0 112.73 173.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tt -73.88 -44.79 54.24 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.106 1.763 . . . . 0.0 111.981 173.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.24 -46.87 79.4 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 126.622 1.969 . . . . 0.0 109.712 -178.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.2 m -63.11 -32.63 74.05 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.999 0.92 . . . . 0.0 112.683 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 36.0 t -74.08 -43.07 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.706 0.802 . . . . 0.0 111.565 174.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.4 mt -66.89 -35.68 80.56 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.432 1.015 . . . . 0.0 112.174 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.2 mmt -62.43 -32.94 73.88 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.947 0.899 . . . . 0.0 112.117 169.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -37.56 87.83 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.913 0.779 . . . . 0.0 111.87 173.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.5 mm -57.8 -46.31 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 173.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -70.23 -36.23 74.37 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -175.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -73.82 -28.11 61.45 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.571 1.548 . . . . 0.0 113.883 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.2 mt -75.68 -47.92 31.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.738 0.815 . . . . 0.0 110.323 171.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -75.93 -13.96 60.25 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.151 1.38 . . . . 0.0 114.123 -174.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.32 28.5 73.64 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 120.879 -1.138 . . . . 0.0 113.21 -172.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.6 142.55 46.98 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 117.952 0.876 . . . . 0.0 111.631 178.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -57.13 162.27 2.68 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.877 1.671 . . . . 0.0 113.841 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 97.1 p -51.55 -36.09 43.64 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.557 1.143 . . . . 0.0 112.549 169.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.5 m -62.55 -38.94 91.99 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.356 1.062 . . . . 0.0 111.477 174.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 m -72.53 -37.79 68.21 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.985 1.314 . . . . 0.0 112.342 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.7 87.65 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 118.949 0.795 . . . . 0.0 111.349 171.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -63.37 -35.81 81.63 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.314 -0.866 . . . . 0.0 113.046 170.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -65.43 -35.16 80.09 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.676 1.125 . . . . 0.0 113.582 167.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.5 mmt -63.24 -40.3 97.05 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 120.395 1.452 . . . . 0.0 111.4 173.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -58.93 -46.95 86.72 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.084 0.554 . . . . 0.0 111.992 170.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.95 -39.45 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 123.917 0.887 . . . . 0.0 112.178 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.37 -36.66 81.8 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.552 1.141 . . . . 0.0 110.28 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.23 -45.62 54.98 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.462 0.705 . . . . 0.0 112.857 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -67.4 -28.13 67.66 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.068 1.347 . . . . 0.0 112.303 173.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.6 t -66.68 -39.18 88.03 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 123.365 0.666 . . . . 0.0 111.136 166.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -63.11 -39.98 96.29 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.922 1.237 . . . . 0.0 113.816 -175.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -66.3 -40.75 90.2 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.597 1.089 . . . . 0.0 112.577 172.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.0 -40.06 78.96 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.413 -0.805 . . . . 0.0 112.391 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.13 -33.86 77.03 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 125.398 1.479 . . . . 0.0 111.783 175.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 tp -78.83 -37.58 40.2 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 118.949 -0.548 . . . . 0.0 111.631 174.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -55.72 -31.91 62.9 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.996 1.318 . . . . 0.0 112.444 171.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -68.83 -24.87 64.42 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 124.784 1.234 . . . . 0.0 113.471 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -119.46 10.27 11.81 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 126.357 1.863 . . . . 0.0 115.853 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.3 t -59.78 26.61 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 130.809 3.644 . . . . 0.0 118.015 -173.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 80.4 p -57.66 -1.07 0.08 Allowed 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 117.319 2.34 . . . . 0.0 117.319 -169.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 t -160.37 151.57 19.23 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.888 1.675 . . . . 0.0 110.803 161.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -61.64 -41.31 97.32 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 121.234 -0.916 . . . . 0.0 112.299 178.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -55.58 -43.46 76.0 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.002 0.365 . . . . 0.0 111.189 176.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -67.68 -40.91 84.37 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -60.1 -51.0 71.5 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 121.428 0.632 . . . . 0.0 110.019 174.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -65.8 -41.58 91.74 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 120.762 -1.211 . . . . 0.0 112.894 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -74.28 -38.15 63.5 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.346 1.058 . . . . 0.0 112.844 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.5 m -68.92 -42.42 76.81 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.022 0.828 . . . . 0.0 111.395 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.7 ttt -64.84 -39.93 94.36 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.698 0.681 . . . . 0.0 111.368 177.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.8 tmtp? -65.21 -39.24 92.52 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.304 0.642 . . . . 0.0 112.003 172.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.2 t -58.99 -45.76 89.83 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.54 1.136 . . . . 0.0 111.894 175.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -75.51 -36.69 60.48 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 117.775 -1.107 . . . . 0.0 113.501 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.06 -41.93 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 120.378 1.444 . . . . 0.0 110.426 171.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -61.73 -36.04 79.82 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.827 1.251 . . . . 0.0 112.79 175.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.33 -41.72 63.14 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.488 0.715 . . . . 0.0 112.287 172.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.2 mtt -67.93 -29.51 68.6 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.732 -1.23 . . . . 0.0 112.046 177.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -61.08 -39.83 91.38 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.236 1.014 . . . . 0.0 111.093 165.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.3 m -63.88 -42.33 97.52 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.25 0.932 . . . . 0.0 111.663 171.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.4 m -62.51 -47.95 81.67 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.827 0.851 . . . . 0.0 111.33 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -50.23 -48.65 54.4 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.794 2.038 . . . . 0.0 111.786 169.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -64.74 -37.21 86.83 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.627 0.771 . . . . 0.0 109.73 -175.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -67.86 -45.42 74.63 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.15 1.38 . . . . 0.0 113.242 174.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -54.23 -28.67 42.72 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 118.556 -0.735 . . . . 0.0 111.702 169.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -76.07 -38.51 56.96 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 119.95 1.25 . . . . 0.0 111.069 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -65.39 -27.46 68.57 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.804 1.642 . . . . 0.0 112.962 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -85.89 -18.4 32.87 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.271 1.428 . . . . 0.0 113.393 170.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.0 t -86.41 -33.84 20.34 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.773 0.829 . . . . 0.0 112.797 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.8 m -104.24 15.68 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 123.817 0.847 . . . . 0.0 113.181 167.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.1 13.69 49.86 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 126.698 2.094 . . . . 0.0 117.412 164.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.9 m . . . . . 0 C--O 1.248 1.003 0 C-N-CA 126.196 1.798 . . . . 0.0 111.921 -175.16 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.7 mtm . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.343 0.116 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.0 p -53.05 -29.12 28.16 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.535 1.934 . . . . 0.0 114.114 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 m -59.03 -31.38 68.79 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.841 1.656 . . . . 0.0 113.629 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -62.19 -36.03 80.67 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.71 1.204 . . . . 0.0 111.85 173.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -92.69 -24.55 18.59 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.769 2.028 . . . . 0.0 113.99 -173.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.21 23.84 6.96 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.525 1.13 . . . . 0.0 112.344 -160.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -45.48 123.77 5.8 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 129.369 3.068 . . . . 0.0 113.155 -172.416 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 7' ' ' ILE . 38.8 Cg_exo -68.46 141.7 51.78 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.213 2.609 . . . . 0.0 114.535 -177.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -59.09 -29.23 67.2 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.009 0.924 . . . . 0.0 112.745 173.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -64.79 -38.68 91.82 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.588 -0.695 . . . . 0.0 111.693 175.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -70.4 -37.14 74.44 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.94 -0.475 . . . . 0.0 110.776 175.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.9 mtm-85 -57.96 -46.74 84.63 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.596 -0.69 . . . . 0.0 110.96 170.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.0 m -64.72 -34.4 78.23 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.045 0.938 . . . . 0.0 112.812 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -63.46 -35.82 81.7 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.209 1.368 . . . . 0.0 112.45 170.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -70.26 -42.56 71.99 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.568 0.747 . . . . 0.0 111.169 172.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.45 -42.13 94.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 124.51 1.124 . . . . 0.0 110.971 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.31 -34.35 72.22 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.244 1.018 . . . . 0.0 112.912 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -72.94 -36.7 67.25 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.078 1.351 . . . . 0.0 112.158 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 tt -66.12 -48.02 72.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.304 1.842 . . . . 0.0 112.001 167.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.58 -46.21 87.41 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.502 1.521 . . . . 0.0 110.398 -177.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 84.8 m -61.25 -30.37 70.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.16 1.384 . . . . 0.0 112.911 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.4 t -75.18 -44.27 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 O-C-N 120.534 -1.354 . . . . 0.0 112.019 171.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.3 mt -64.0 -36.32 83.6 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.699 1.136 . . . . 0.0 111.992 176.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 20.3 mmt -61.81 -28.83 69.75 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.613 1.565 . . . . 0.0 113.006 170.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -35.09 66.02 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.656 0.782 . . . . 0.0 111.897 173.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.8 mm -61.85 -40.76 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 O-C-N 121.126 -0.984 . . . . 0.0 109.457 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -61.21 -29.81 70.05 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.507 0.723 . . . . 0.0 112.217 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -76.58 -51.89 10.78 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.512 1.125 . . . . 0.0 112.308 168.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.4 mt -57.02 -41.2 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.53 1.132 . . . . 0.0 112.584 -174.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -92.18 -4.75 53.74 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.139 1.376 . . . . 0.0 114.691 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.5 35.06 80.62 Favored Glycine 0 N--CA 1.476 1.35 0 CA-C-N 119.421 1.009 . . . . 0.0 115.179 -177.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.57 162.9 47.13 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-O 123.502 1.612 . . . . 0.0 114.762 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.71 165.87 12.74 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.812 2.445 . . . . 0.0 114.013 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.3 t -59.62 -35.47 74.44 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.941 1.696 . . . . 0.0 113.868 173.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.7 p -64.91 -44.41 89.66 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 120.828 -1.17 . . . . 0.0 111.966 175.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.5 m -64.76 -32.87 74.75 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.65 1.18 . . . . 0.0 111.834 173.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.9 -37.28 72.98 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.32 1.048 . . . . 0.0 113.263 172.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -59.47 -34.33 72.43 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.595 -1.315 . . . . 0.0 112.504 169.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -75.22 -27.43 59.55 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.547 1.539 . . . . 0.0 113.482 171.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.4 mmt -68.47 -40.52 80.98 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.561 1.073 . . . . 0.0 112.401 166.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -54.34 -42.56 70.35 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.672 0.789 . . . . 0.0 112.01 170.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.0 t -65.06 -35.56 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.001 0.92 . . . . 0.0 112.801 174.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -64.86 -45.69 85.02 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.145 1.339 . . . . 0.0 109.808 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.82 86.92 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.08 -47.01 84.73 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.155 0.982 . . . . 0.0 112.561 175.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -66.99 -27.26 67.29 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 118.412 -0.804 . . . . 0.0 112.997 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -69.37 -48.9 59.83 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.338 -0.839 . . . . 0.0 112.984 173.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . 0.296 0.7 OUTLIER -65.25 -29.35 70.12 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 120.725 1.602 . . . . 0.0 112.668 174.477 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.69 -27.89 64.35 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 173.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.2 -45.37 40.92 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.148 0.885 . . . . 0.0 111.603 171.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.3 tp -71.17 -32.34 68.77 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.147 0.979 . . . . 0.0 112.01 -175.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -56.5 -37.75 70.83 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.862 0.865 . . . . 0.0 112.965 176.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -71.42 -12.91 61.65 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -119.79 10.34 11.6 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 127.221 2.208 . . . . 0.0 114.264 173.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.1 t -67.34 23.55 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 129.139 2.976 . . . . 0.0 116.005 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 m -65.07 -8.0 14.56 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.735 1.614 . . . . 0.0 114.276 -166.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.7 t -137.63 143.86 41.64 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 125.586 1.554 . . . . 0.0 110.278 158.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.5 tttm -58.23 -39.07 78.13 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.563 0.745 . . . . 0.0 111.374 170.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -59.23 -45.82 90.13 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 118.437 0.562 . . . . 0.0 111.441 177.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -69.14 -40.87 77.97 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.529 0.731 . . . . 0.0 112.172 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -58.43 -52.29 66.24 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.744 0.702 . . . . 0.0 110.451 173.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -69.98 -36.45 75.19 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.321 -0.862 . . . . 0.0 112.394 -177.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -67.07 -35.6 80.18 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.338 0.972 . . . . 0.0 111.794 174.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.8 m -76.3 -37.62 57.22 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.513 0.597 . . . . 0.0 112.098 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 94.3 mmm -59.17 -49.05 79.33 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.557 -0.715 . . . . 0.0 110.119 169.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -56.04 -43.51 77.9 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.75 0.82 . . . . 0.0 111.316 172.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.2 t -56.77 -45.28 82.21 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.676 1.191 . . . . 0.0 113.393 176.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -73.97 -38.53 64.16 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.466 -0.772 . . . . 0.0 112.074 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.29 -43.04 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.78 0.832 . . . . 0.0 110.826 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.58 -32.82 66.3 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.932 1.242 . . . . 0.0 112.816 -178.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.16 -46.91 86.86 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.889 -0.507 . . . . 0.0 111.068 167.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 17.8 mmt -68.1 -32.53 72.9 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 175.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.4 ttm-85 -66.21 -39.25 89.48 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.375 1.47 . . . . 0.0 111.257 173.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.1 m -64.17 -45.54 87.95 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.969 0.908 . . . . 0.0 111.134 171.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.9 m -65.64 -37.72 87.34 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.723 1.209 . . . . 0.0 112.58 177.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -58.68 -38.85 79.11 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.372 1.869 . . . . 0.0 111.833 174.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.14 -33.17 61.51 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.686 0.794 . . . . 0.0 111.604 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -63.24 -50.35 70.55 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.377 -0.827 . . . . 0.0 111.464 172.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -56.3 -24.47 43.46 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.936 1.294 . . . . 0.0 112.571 168.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -78.58 -46.65 18.89 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.929 1.24 . . . . 0.0 111.58 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -79.46 -20.32 47.69 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.11 1.364 . . . . 0.0 114.308 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -87.17 -1.36 57.84 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.374 1.47 . . . . 0.0 112.833 164.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.2 m -96.33 -48.57 5.55 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.177 -0.952 . . . . 0.0 111.555 166.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 76.7 t -143.28 126.18 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.308 1.443 . . . . 0.0 109.275 166.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.2 -14.52 4.02 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.961 1.267 . . . . 0.0 114.125 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 C--O 1.255 1.378 0 C-N-CA 125.711 1.604 . . . . 0.0 111.679 179.71 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.9 ttm . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 118.854 -0.593 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -112.66 23.87 13.05 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -171.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 m -50.56 -39.12 48.48 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 120.236 -1.54 . . . . 0.0 114.777 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -67.75 -26.38 66.1 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 178.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -92.28 -14.19 29.23 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.907 2.083 . . . . 0.0 112.48 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.2 m -106.82 25.68 10.99 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.427 1.891 . . . . 0.0 111.198 -168.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.19 130.59 74.69 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 127.427 2.291 . . . . 0.0 111.53 -174.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -53.73 131.51 44.44 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.273 2.649 . . . . 0.0 113.743 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.8 ptp -66.53 -27.1 67.49 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.776 -0.578 . . . . 0.0 112.11 176.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -63.45 -40.77 98.01 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.702 -0.624 . . . . 0.0 112.117 169.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -67.7 -40.16 84.35 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.348 -0.845 . . . . 0.0 111.218 177.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 mtm-85 -59.04 -51.32 70.55 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 118.93 0.786 . . . . 0.0 110.494 172.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.2 m -59.48 -31.19 69.12 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -74.72 -34.18 62.54 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.271 1.028 . . . . 0.0 113.242 174.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -70.02 -44.04 70.1 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.36 -0.838 . . . . 0.0 111.188 172.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.0 t -58.0 -37.43 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.573 1.549 . . . . 0.0 110.958 170.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.61 -25.28 64.78 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 119.995 1.271 . . . . 0.0 113.322 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -71.04 -45.14 64.4 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.128 -0.982 . . . . 0.0 110.084 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 tt -57.03 -46.37 82.43 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.863 1.265 . . . . 0.0 111.76 168.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -43.26 91.59 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.27 1.428 . . . . 0.0 111.558 177.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.7 m -63.74 -30.04 71.19 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.678 1.191 . . . . 0.0 112.475 177.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.3 t -75.18 -41.8 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.231 1.013 . . . . 0.0 112.261 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.38 -35.09 77.18 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.828 1.195 . . . . 0.0 112.759 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 10.2 mmt -53.44 -39.98 64.84 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.057 1.743 . . . . 0.0 111.253 165.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -39.17 89.38 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.827 0.451 . . . . 0.0 111.718 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mm -64.19 -40.35 88.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 118.794 0.725 . . . . 0.0 109.898 174.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -64.18 -42.49 96.67 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 122.932 0.493 . . . . 0.0 111.059 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -69.07 -40.72 78.3 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.231 -0.918 . . . . 0.0 112.76 172.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.3 mt -59.73 -41.26 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.923 0.889 . . . . 0.0 111.61 176.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -78.78 -26.36 44.46 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 173.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.55 43.74 35.66 Favored Glycine 0 N--CA 1.47 0.924 0 CA-C-N 119.256 0.935 . . . . 0.0 112.562 -164.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.49 146.4 49.71 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.999 1.285 . . . . 0.0 113.642 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.13 156.2 32.41 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.628 1.971 . . . . 0.0 112.66 174.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.6 t -64.6 -20.35 66.21 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.681 -1.262 . . . . 0.0 113.55 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.2 p -68.52 -41.39 80.01 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 120.559 -1.338 . . . . 0.0 111.92 167.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.4 m -67.58 -38.78 84.55 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.261 1.424 . . . . 0.0 111.024 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.36 -44.64 92.67 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.565 0.746 . . . . 0.0 111.487 170.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -63.73 -33.66 76.14 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.918 -1.114 . . . . 0.0 113.565 174.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -77.72 -29.73 51.4 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -29.53 57.74 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.612 1.551 . . . . 0.0 112.351 171.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -56.35 -42.47 77.8 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 120.941 -1.1 . . . . 0.0 112.125 166.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.2 t -65.62 -29.7 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 125.215 1.406 . . . . 0.0 113.098 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -71.27 -39.86 71.3 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.895 1.278 . . . . 0.0 110.392 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.0 83.73 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.08 0.552 . . . . 0.0 111.982 171.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -60.57 -36.68 79.11 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.811 0.844 . . . . 0.0 112.921 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 t -68.27 -39.11 82.29 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.524 0.73 . . . . 0.0 112.063 174.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -64.64 -45.48 86.63 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.046 0.839 . . . . 0.0 112.057 173.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.74 -56.26 21.2 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 126.219 1.807 . . . . 0.0 111.73 178.005 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.96 -31.69 72.97 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.372 1.469 . . . . 0.0 113.556 -177.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.62 -36.92 60.11 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.012 0.525 . . . . 0.0 111.323 175.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.3 tp -76.12 -37.99 57.39 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.517 0.727 . . . . 0.0 112.347 178.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -58.76 -24.53 61.81 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.935 1.294 . . . . 0.0 112.435 171.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -69.95 -21.7 63.24 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.086 -1.634 . . . . 0.0 114.485 172.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.97 11.69 11.82 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 116.098 1.888 . . . . 0.0 116.098 176.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.4 p -69.3 19.26 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 118.088 2.625 . . . . 0.0 118.088 -174.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.4 p -64.46 -6.95 8.31 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 -167.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.4 m -128.63 136.44 50.68 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.053 0.941 . . . . 0.0 109.493 152.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.3 tttm -57.24 -36.12 70.55 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.944 1.298 . . . . 0.0 111.67 176.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.56 -39.13 72.94 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.584 0.753 . . . . 0.0 112.73 175.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -77.69 -39.92 43.2 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.475 1.034 . . . . 0.0 112.165 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -58.24 -47.51 83.32 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.538 0.608 . . . . 0.0 110.45 171.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -63.26 -48.97 75.96 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.533 -0.729 . . . . 0.0 111.659 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -61.43 -38.64 87.88 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.681 1.128 . . . . 0.0 113.133 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.2 m -73.66 -40.74 63.48 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.71 -0.619 . . . . 0.0 111.13 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.2 mmt -56.43 -50.01 72.89 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 119.014 -0.517 . . . . 0.0 110.697 168.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -48.03 78.43 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.304 1.041 . . . . 0.0 111.266 177.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.3 m -60.37 -45.75 92.42 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.692 1.197 . . . . 0.0 112.696 -178.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -75.25 -36.51 61.25 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.504 0.722 . . . . 0.0 112.714 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.4 mt -59.61 -44.93 94.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 119.008 0.822 . . . . 0.0 109.935 170.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.59 -37.61 88.15 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.795 1.179 . . . . 0.0 113.166 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.53 91.33 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.694 -0.629 . . . . 0.0 111.757 170.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.6 mmt -75.09 -36.39 61.73 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 120.816 -1.177 . . . . 0.0 113.343 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -57.04 -48.66 77.98 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.703 1.201 . . . . 0.0 110.341 167.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.6 m -60.46 -35.44 75.88 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.597 0.759 . . . . 0.0 111.829 173.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.4 m -68.52 -32.09 71.79 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 117.362 -1.304 . . . . 0.0 112.349 176.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -49.96 -47.33 52.66 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 121.246 1.839 . . . . 0.0 111.909 171.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.18 -41.65 76.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 113.879 -1.51 . . . . 0.0 110.807 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -63.86 -51.62 63.8 Favored 'General case' 0 CA--C 1.511 -0.531 0 O-C-N 121.823 -0.548 . . . . 0.0 112.063 175.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 50.5 mmt-85 -60.14 -20.38 58.17 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.101 0.96 . . . . 0.0 112.233 173.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -80.03 -43.79 21.27 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 119.635 1.107 . . . . 0.0 111.396 174.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -71.05 -27.77 63.89 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.888 1.275 . . . . 0.0 113.058 176.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.9 -18.31 62.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.676 1.991 . . . . 0.0 113.229 164.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 71.4 m -98.74 -8.39 26.12 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 40.3 t 65.22 -21.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 N-CA-C 117.616 2.45 . . . . 0.0 117.616 162.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.98 -7.09 14.76 Favored Glycine 0 CA--C 1.539 1.536 0 N-CA-C 117.081 1.592 . . . . 0.0 117.081 -173.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.253 1.269 0 C-N-CA 127.832 2.453 . . . . 0.0 115.731 162.117 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.438 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.1 OUTLIER . . . . . 0 CA--C 1.551 0.986 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 7' ' ' ILE . 39.5 Cg_exo -61.96 138.53 74.0 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.428 2.752 . . . . 0.0 114.001 -175.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 53.7 ttm -62.11 -32.68 73.28 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.171 -0.956 . . . . 0.0 111.825 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.4 p80 -60.81 -34.87 75.2 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 120.145 1.339 . . . . 0.0 112.807 174.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -71.28 -43.8 66.46 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.416 1.086 . . . . 0.0 111.697 173.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -58.68 -50.38 74.1 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.59 -0.694 . . . . 0.0 110.799 174.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.0 m -58.68 -34.76 71.64 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 118.435 -0.793 . . . . 0.0 113.018 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -70.27 -31.78 69.3 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.804 1.184 . . . . 0.0 112.673 176.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -77.57 -45.51 25.08 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.658 1.183 . . . . 0.0 113.122 174.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.3 t -53.14 -35.72 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 126.217 1.807 . . . . 0.0 110.76 168.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.49 -22.64 65.45 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.24 -37.53 60.99 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 120.177 -1.577 . . . . 0.0 112.663 171.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.57 -46.3 90.48 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.77 1.628 . . . . 0.0 111.156 167.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -49.0 64.55 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.983 1.713 . . . . 0.0 111.17 177.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.9 m -61.46 -35.13 76.74 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.583 1.153 . . . . 0.0 113.108 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.1 t -72.51 -37.94 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 119.141 0.882 . . . . 0.0 111.486 174.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.3 mt -68.64 -38.31 80.39 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.565 1.075 . . . . 0.0 111.883 174.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 21.5 mmt -60.38 -33.49 72.54 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.012 1.325 . . . . 0.0 112.452 171.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.36 -32.95 74.85 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.869 1.268 . . . . 0.0 112.17 170.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.8 mm -67.06 -38.96 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 O-C-N 120.43 -1.419 . . . . 0.0 109.76 173.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -66.42 -28.93 69.0 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -69.87 -55.34 10.0 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.059 1.344 . . . . 0.0 111.941 166.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.7 mt -65.02 -37.06 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.978 1.311 . . . . 0.0 112.82 -172.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -88.58 -8.41 54.78 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.188 0.995 . . . . 0.0 113.442 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 60.64 51.7 57.06 Favored Glycine 0 C--N 1.339 0.728 0 C-N-CA 125.34 1.448 . . . . 0.0 114.842 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.77 -170.06 45.17 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-O 122.752 1.196 . . . . 0.0 114.703 172.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -107.2 164.19 12.38 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.785 2.434 . . . . 0.0 114.007 -171.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.3 t -51.32 -39.27 56.58 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.074 1.75 . . . . 0.0 114.17 171.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.3 p -71.57 -31.53 67.07 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.385 1.074 . . . . 0.0 112.478 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.1 m -71.89 -31.35 66.33 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.084 0.954 . . . . 0.0 110.914 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.17 -32.74 73.21 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.281 1.032 . . . . 0.0 112.339 167.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -64.44 -40.53 95.92 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.536 -1.352 . . . . 0.0 112.341 166.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -59.05 -36.7 75.48 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.532 1.06 . . . . 0.0 112.891 168.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.1 mmt -61.45 -41.74 97.68 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 120.163 1.347 . . . . 0.0 112.312 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -59.64 -44.52 93.49 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 121.88 -0.512 . . . . 0.0 111.728 173.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.8 t -63.26 -36.02 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.504 1.122 . . . . 0.0 112.158 176.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -68.6 -43.73 75.81 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 124.459 1.104 . . . . 0.0 109.789 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.68 -47.89 83.29 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -70.48 -23.98 62.78 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.3 t -76.21 -41.73 48.44 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.969 0.804 . . . . 0.0 111.633 167.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -59.45 -45.56 91.26 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.616 0.766 . . . . 0.0 112.046 174.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -53.23 -55.4 24.73 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.221 1.809 . . . . 0.0 111.311 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.4 -33.95 76.67 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.377 1.471 . . . . 0.0 112.918 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.74 -26.65 34.35 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.255 1.022 . . . . 0.0 112.465 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.4 tp -74.25 -35.82 63.83 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.95 0.9 . . . . 0.0 111.091 168.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -59.38 -30.05 68.14 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.66 0.784 . . . . 0.0 112.42 174.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.55 -25.7 68.36 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 120.579 -1.326 . . . . 0.0 114.083 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.262 53.6 pttt -118.2 11.32 13.17 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 127.252 2.221 . . . . 0.0 115.059 -175.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 94.7 p -53.03 18.22 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 131.627 3.971 . . . . 0.0 120.41 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 57.9 m -61.37 -5.19 1.54 Allowed 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 117.929 2.566 . . . . 0.0 117.929 -160.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 t -145.72 151.48 38.07 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.454 1.501 . . . . 0.0 109.342 157.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -57.57 -38.56 75.02 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.568 -0.708 . . . . 0.0 111.291 170.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -69.79 -24.28 63.47 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 176.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -79.99 -39.23 30.47 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.618 -1.301 . . . . 0.0 111.594 173.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -60.27 -51.33 70.01 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.751 0.705 . . . . 0.0 110.389 169.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -63.62 -45.35 90.71 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.784 0.834 . . . . 0.0 112.888 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -72.07 -36.94 69.7 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.788 1.176 . . . . 0.0 112.305 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.2 m -66.45 -37.73 85.79 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.234 0.924 . . . . 0.0 111.931 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 62.3 tpp -60.7 -48.19 82.9 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.457 0.703 . . . . 0.0 110.881 171.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.49 -44.57 85.03 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.25 1.02 . . . . 0.0 111.294 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.7 m -72.09 -26.03 61.99 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.443 1.097 . . . . 0.0 113.746 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -73.88 -41.25 62.45 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.831 0.852 . . . . 0.0 111.16 170.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.2 mt -59.03 -43.98 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 124.208 1.003 . . . . 0.0 110.125 170.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -60.59 -39.92 89.85 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.182 1.393 . . . . 0.0 113.628 174.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.61 81.81 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.626 -0.671 . . . . 0.0 112.216 175.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.7 mmt -75.39 -38.12 60.12 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.352 -0.843 . . . . 0.0 112.427 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.6 -52.17 60.69 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.862 1.665 . . . . 0.0 110.044 167.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.8 m -62.51 -33.48 74.98 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.008 0.523 . . . . 0.0 111.389 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.9 m -68.94 -33.43 73.71 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 117.325 -1.322 . . . . 0.0 112.683 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -51.81 -45.82 64.02 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 121.598 1.999 . . . . 0.0 111.644 169.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -68.17 -37.65 81.2 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 114.522 -1.217 . . . . 0.0 111.642 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -65.29 -50.91 63.89 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.049 1.34 . . . . 0.0 112.772 176.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.3 mmt-85 -59.17 -20.39 53.39 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.307 172.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -79.25 -38.39 35.67 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.117 0.871 . . . . 0.0 112.049 173.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -64.43 -43.2 95.07 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.276 -0.89 . . . . 0.0 111.159 173.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -69.37 -18.56 63.8 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.363 1.465 . . . . 0.0 114.445 174.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.478 0.948 0 CA-C-N 119.267 0.94 . . . . 0.0 113.377 -179.087 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.55 0.95 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_exo -60.97 139.9 87.26 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.151 1.901 . . . . 0.0 113.081 -171.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 51.3 ttm -61.6 -31.08 71.13 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.157 0.583 . . . . 0.0 112.144 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -60.75 -44.76 96.31 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 169.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -69.93 -40.13 75.7 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.868 0.758 . . . . 0.0 112.105 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -55.45 -54.9 38.03 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 122.887 0.475 . . . . 0.0 111.236 170.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.0 m -58.24 -38.13 76.25 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.901 0.481 . . . . 0.0 112.188 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -67.76 -27.99 67.24 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.359 1.464 . . . . 0.0 113.57 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -77.66 -46.8 20.91 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.835 1.254 . . . . 0.0 112.552 169.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.4 t -56.51 -41.87 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.679 1.192 . . . . 0.0 110.313 173.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.4 72.61 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 119.375 0.989 . . . . 0.0 112.996 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -70.09 -36.4 74.87 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.729 1.212 . . . . 0.0 111.418 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tt -69.25 -47.93 63.28 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.713 2.005 . . . . 0.0 112.335 168.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -44.4 95.43 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.692 1.197 . . . . 0.0 110.405 -174.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.9 m -57.81 -37.05 73.08 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.855 0.862 . . . . 0.0 111.6 175.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -72.41 -41.97 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.8 0.84 . . . . 0.0 111.786 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.5 mt -66.61 -36.63 83.05 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.63 1.104 . . . . 0.0 111.944 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.4 mmt -61.18 -36.12 79.0 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.92 1.288 . . . . 0.0 111.671 170.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -37.23 85.89 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.53 0.732 . . . . 0.0 111.869 171.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 mm -65.7 -43.58 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 121.049 -1.032 . . . . 0.0 109.331 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -65.71 -41.29 92.47 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 122.952 0.501 . . . . 0.0 112.146 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -63.87 -50.79 67.44 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.204 1.002 . . . . 0.0 112.156 173.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 91.2 mt -70.6 -44.12 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.753 0.821 . . . . 0.0 111.218 -174.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -78.93 -21.65 46.95 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.204 -0.935 . . . . 0.0 112.773 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.35 51.11 34.03 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 124.41 1.005 . . . . 0.0 113.532 176.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.67 178.35 53.26 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 159.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -83.5 167.95 16.93 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.148 0.979 . . . . 0.0 112.793 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -65.46 -21.69 66.67 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.503 0.721 . . . . 0.0 112.5 172.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.2 p -68.7 -39.87 80.29 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.163 -1.586 . . . . 0.0 111.808 167.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -63.65 -35.31 80.11 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.251 -0.905 . . . . 0.0 111.344 170.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.88 95.56 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.98 0.912 . . . . 0.0 112.672 174.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -62.6 -39.46 93.8 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 121.134 -0.979 . . . . 0.0 111.845 170.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -59.57 -30.25 68.51 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.753 -1.217 . . . . 0.0 113.681 169.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.0 mmt -72.14 -38.03 69.31 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.759 1.163 . . . . 0.0 112.437 171.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.26 -44.34 83.85 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 118.868 0.758 . . . . 0.0 111.709 169.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.34 -41.6 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.271 1.029 . . . . 0.0 111.702 172.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -39.69 86.32 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.118 0.872 . . . . 0.0 110.155 -178.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.14 -48.78 64.45 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.91 0.884 . . . . 0.0 112.772 177.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.78 -34.73 78.84 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.843 0.857 . . . . 0.0 112.392 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.2 t -68.37 -40.64 81.38 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.278 1.031 . . . . 0.0 112.877 171.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -58.12 -44.13 87.58 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.543 0.737 . . . . 0.0 111.975 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.09 -54.35 36.9 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.444 0.64 . . . . 0.0 111.562 172.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.13 -28.47 65.4 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.516 1.126 . . . . 0.0 113.682 -171.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.95 -42.17 27.56 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.328 1.051 . . . . 0.0 111.44 172.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.1 tp -69.89 -31.83 69.85 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.327 -0.858 . . . . 0.0 112.169 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -64.3 -30.62 71.66 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.196 0.999 . . . . 0.0 113.127 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -60.15 -38.66 83.82 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.288 1.035 . . . . 0.0 111.308 170.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -94.67 -0.49 54.34 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.309 1.844 . . . . 0.0 113.839 -175.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 t -64.15 20.53 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 129.037 2.935 . . . . 0.0 116.145 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.4 m -62.42 -14.29 38.98 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.03 1.332 . . . . 0.0 113.535 -171.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.8 t -134.82 137.48 43.36 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.67 1.588 . . . . 0.0 107.979 157.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.4 tttm -71.09 -29.91 65.89 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.897 0.879 . . . . 0.0 111.704 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -53.47 -45.14 69.48 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.56 0.744 . . . . 0.0 110.823 170.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -72.81 -41.94 64.38 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.504 0.722 . . . . 0.0 112.629 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -58.25 -53.0 63.21 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.991 0.916 . . . . 0.0 110.992 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -64.9 -44.7 88.71 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 122.952 0.501 . . . . 0.0 111.331 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -59.84 -41.37 91.22 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.024 0.929 . . . . 0.0 111.813 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.8 m -72.77 -44.49 61.51 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.37 0.668 . . . . 0.0 111.793 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 38.4 ttm -59.49 -46.65 88.19 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.286 0.494 . . . . 0.0 111.063 174.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -39.36 93.92 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.215 0.461 . . . . 0.0 112.212 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.1 m -71.63 -32.68 68.22 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.286 -0.883 . . . . 0.0 113.333 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -75.49 -38.61 59.41 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 118.81 -0.614 . . . . 0.0 112.384 171.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.4 mt -56.64 -48.3 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 118.944 0.793 . . . . 0.0 110.458 171.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -64.5 -40.45 95.67 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.236 0.925 . . . . 0.0 112.777 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.28 92.09 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.663 -0.648 . . . . 0.0 112.255 176.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.7 mmm -77.06 -32.91 57.15 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.082 -1.011 . . . . 0.0 112.517 177.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -63.82 -37.87 89.0 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.467 1.507 . . . . 0.0 112.13 170.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.1 m -72.35 -26.76 62.04 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.53 0.732 . . . . 0.0 112.826 167.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.9 m -71.93 -29.86 64.73 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 120.749 -1.219 . . . . 0.0 112.765 175.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -49.92 -48.43 51.78 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 120.258 1.39 . . . . 0.0 111.772 170.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -67.2 -33.65 75.82 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 126.184 1.794 . . . . 0.0 111.074 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -65.79 -48.39 71.92 Favored 'General case' 0 CA--C 1.518 -0.283 0 O-C-N 121.177 -0.952 . . . . 0.0 112.046 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 75.3 mmt-85 -60.29 -22.37 63.06 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.527 0.731 . . . . 0.0 112.773 172.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -79.78 -40.83 27.83 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.699 0.799 . . . . 0.0 111.491 173.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -71.67 -33.48 68.89 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.21 1.404 . . . . 0.0 112.585 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -67.7 -28.16 67.43 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.922 1.289 . . . . 0.0 112.405 166.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.477 0.911 0 CA-C-N 118.55 0.614 . . . . 0.0 111.836 172.061 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.552 1.022 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -65.97 141.46 64.57 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.408 2.072 . . . . 0.0 113.324 -173.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.4 ptt? -60.34 -30.76 69.73 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.345 -0.847 . . . . 0.0 111.938 171.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -66.7 -33.24 75.19 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.009 0.822 . . . . 0.0 113.14 173.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 73.9 tp60 -69.29 -42.92 74.82 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.337 0.655 . . . . 0.0 110.811 173.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 mtm-85 -59.47 -48.98 79.55 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.256 0.48 . . . . 0.0 110.677 173.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 m -58.01 -33.62 69.14 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 175.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -73.11 -38.08 66.47 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.54 1.136 . . . . 0.0 112.543 176.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -67.02 -43.98 81.45 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.774 0.83 . . . . 0.0 111.009 173.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.41 -40.42 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 124.602 1.161 . . . . 0.0 110.417 170.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.87 85.76 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.719 1.145 . . . . 0.0 113.15 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.11 -47.7 78.99 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.422 1.01 . . . . 0.0 111.513 170.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tt -57.48 -49.93 74.69 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.059 0.944 . . . . 0.0 111.784 176.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -43.83 97.34 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.605 1.562 . . . . 0.0 110.447 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.4 m -64.63 -33.02 74.94 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.17 0.988 . . . . 0.0 112.418 177.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.5 t -74.6 -41.08 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.942 0.897 . . . . 0.0 111.616 172.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.6 mt -65.33 -37.2 86.36 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.911 1.232 . . . . 0.0 112.363 174.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.5 mmt -60.49 -31.67 70.69 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.082 1.353 . . . . 0.0 111.597 168.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.68 -35.19 74.9 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.167 -0.958 . . . . 0.0 112.518 170.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.9 mm -63.76 -42.6 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-N 120.278 1.399 . . . . 0.0 109.459 173.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.54 -43.92 97.99 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.948 0.899 . . . . 0.0 111.667 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -68.22 -29.88 68.82 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.724 1.209 . . . . 0.0 113.954 174.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.6 mt -79.87 -38.03 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.43 1.013 . . . . 0.0 111.374 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -78.54 -21.33 48.94 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 119.256 0.935 . . . . 0.0 113.252 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.25 51.49 9.96 Favored Glycine 0 N--CA 1.469 0.836 0 O-C-N 121.662 -0.649 . . . . 0.0 111.537 -169.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.32 151.36 29.69 Favored Glycine 0 CA--C 1.53 1.002 0 CA-C-O 122.814 1.23 . . . . 0.0 114.6 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.23 158.3 36.12 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.538 1.935 . . . . 0.0 113.705 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.2 t -59.3 -30.24 68.19 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.158 0.983 . . . . 0.0 113.501 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.4 p -76.86 -33.86 57.86 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 121.158 -0.964 . . . . 0.0 112.46 173.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -66.69 -31.32 71.91 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.252 -1.53 . . . . 0.0 111.15 169.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.42 -30.75 69.71 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 121.138 -0.976 . . . . 0.0 112.298 170.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.46 -42.06 92.69 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.941 -1.099 . . . . 0.0 112.535 167.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -60.4 -34.35 73.79 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.556 0.946 . . . . 0.0 113.556 171.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.5 mmt -64.78 -41.15 96.06 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.574 1.079 . . . . 0.0 112.364 174.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -58.31 -43.38 88.1 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.79 0.436 . . . . 0.0 111.164 172.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.38 -41.72 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.187 0.995 . . . . 0.0 112.305 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -65.97 -42.68 89.57 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 119.393 0.997 . . . . 0.0 110.371 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.76 94.6 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.005 0.522 . . . . 0.0 112.359 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -71.2 -37.86 72.09 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.156 0.982 . . . . 0.0 112.142 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 84.1 p -73.64 -35.43 65.28 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.382 0.992 . . . . 0.0 112.913 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -55.11 -52.55 62.9 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.744 0.818 . . . . 0.0 111.86 171.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -40.04 75.87 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.46 -30.9 70.89 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.283 0.947 . . . . 0.0 112.849 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.2 -44.19 22.36 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.101 0.96 . . . . 0.0 111.802 173.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.0 tp -65.38 -29.48 70.2 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 120.651 -1.28 . . . . 0.0 112.275 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -63.24 -32.47 73.88 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.854 1.262 . . . . 0.0 112.484 173.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -72.93 -15.78 61.56 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.627 -1.295 . . . . 0.0 114.235 170.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -97.52 -2.82 41.05 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.16 1.784 . . . . 0.0 114.058 173.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.9 p -66.38 21.1 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 127.879 2.472 . . . . 0.0 116.498 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.8 p -62.05 -15.55 45.5 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 120.551 -1.343 . . . . 0.0 113.162 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.9 m -128.89 142.37 50.98 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.227 2.211 . . . . 0.0 109.716 158.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.6 tttm -63.02 -38.84 92.79 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.794 1.238 . . . . 0.0 111.021 171.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.85 -39.85 86.56 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.343 0.657 . . . . 0.0 112.467 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -72.48 -38.47 68.19 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.082 1.31 . . . . 0.0 112.501 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -60.83 -50.98 71.26 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 117.975 0.352 . . . . 0.0 110.16 171.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.33 -46.95 78.24 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.601 -0.687 . . . . 0.0 112.132 -177.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -69.57 -37.15 76.87 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.781 0.719 . . . . 0.0 111.921 -172.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 m -72.84 -42.05 64.18 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.437 0.695 . . . . 0.0 111.356 176.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -54.33 -52.15 62.45 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.23 1.012 . . . . 0.0 111.244 171.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -66.58 -33.14 75.01 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.9 t -66.62 -45.96 77.41 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.705 0.802 . . . . 0.0 111.601 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -75.58 -32.77 60.48 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 176.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.9 mt -62.86 -45.18 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 119.73 1.15 . . . . 0.0 110.248 169.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.21 -40.03 84.53 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.407 1.003 . . . . 0.0 112.103 172.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.47 -40.34 93.06 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.37 0.986 . . . . 0.0 113.141 177.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.6 mmt -73.72 -39.18 64.5 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 121.282 -0.886 . . . . 0.0 112.407 176.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -67.57 -30.74 70.44 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.262 1.425 . . . . 0.0 111.513 174.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.8 m -69.98 -39.36 75.99 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.772 0.829 . . . . 0.0 111.885 165.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 53.1 m -65.04 -33.53 76.26 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 117.843 -1.075 . . . . 0.0 112.976 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -48.76 -48.36 41.03 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 120.556 1.525 . . . . 0.0 112.896 175.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -69.68 -29.01 66.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.655 -175.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -76.46 -43.4 40.11 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.436 1.094 . . . . 0.0 112.662 173.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -53.99 -23.75 14.37 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.312 1.045 . . . . 0.0 112.989 170.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.65 -22.95 46.09 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 174.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -71.34 -28.64 64.22 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.737 1.615 . . . . 0.0 112.304 173.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.94 -22.97 65.92 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.947 0.899 . . . . 0.0 111.954 169.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 N--CA 1.477 0.892 0 C-N-CA 124.825 1.25 . . . . 0.0 114.135 176.167 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.1 OUTLIER . . . . . 0 CA--C 1.552 1.02 0 CA-C-O 119.188 -0.435 . . . . 0.0 111.666 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 7' ' ' ILE . 51.7 Cg_exo -62.05 136.61 61.9 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.779 2.986 . . . . 0.0 114.027 -176.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.7 ptm -61.29 -31.14 70.97 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.583 -0.698 . . . . 0.0 112.16 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -62.22 -39.45 92.83 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.387 -0.821 . . . . 0.0 111.795 173.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -71.54 -39.02 70.97 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.551 0.74 . . . . 0.0 111.486 176.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.3 mtm105 -59.4 -44.91 92.74 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 118.45 -0.786 . . . . 0.0 111.197 171.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.9 m -62.2 -35.92 80.35 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.389 0.676 . . . . 0.0 112.644 174.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -70.14 -35.29 73.94 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.006 -1.059 . . . . 0.0 112.297 176.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -71.62 -33.65 69.15 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.44 0.696 . . . . 0.0 112.352 171.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.78 -35.69 66.07 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 124.71 1.204 . . . . 0.0 111.433 167.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.55 -36.52 80.84 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 120.129 1.331 . . . . 0.0 113.081 -176.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -64.31 -44.63 90.98 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.373 1.069 . . . . 0.0 111.899 173.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tt -62.65 -43.4 98.91 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.329 1.451 . . . . 0.0 111.57 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -43.0 93.8 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.174 1.389 . . . . 0.0 110.521 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.1 m -58.26 -38.95 77.94 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.073 0.949 . . . . 0.0 112.534 174.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 t -73.37 -38.98 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.365 1.066 . . . . 0.0 112.138 176.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.9 mt -71.3 -36.82 71.79 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.904 1.229 . . . . 0.0 112.699 176.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.5 mmt -55.52 -42.8 75.03 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.292 1.037 . . . . 0.0 111.136 166.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.46 -36.96 79.5 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.676 0.79 . . . . 0.0 112.701 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.9 mm -60.89 -45.24 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 120.217 1.372 . . . . 0.0 109.261 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -67.94 -38.0 82.29 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.326 0.651 . . . . 0.0 112.144 -174.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -71.82 -48.95 42.74 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.145 0.978 . . . . 0.0 111.817 173.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.34 -48.47 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.741 0.817 . . . . 0.0 111.358 -176.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -93.84 9.27 37.95 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -172.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.64 39.84 77.68 Favored Glycine 0 N--CA 1.471 1.008 0 O-C-N 121.203 -0.935 . . . . 0.0 115.3 173.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.2 152.1 47.91 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 122.106 0.836 . . . . 0.0 113.326 174.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -67.3 157.51 33.76 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.811 1.644 . . . . 0.0 112.152 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -65.78 -22.48 66.58 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.743 -1.223 . . . . 0.0 112.945 173.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.9 p -74.3 -34.63 63.57 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.234 -1.541 . . . . 0.0 112.073 166.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.0 m -63.85 -39.8 95.06 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 120.737 -1.227 . . . . 0.0 110.657 168.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.8 84.73 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.354 1.062 . . . . 0.0 112.371 171.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -65.77 -39.1 90.69 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.002 -1.061 . . . . 0.0 112.34 172.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -66.45 -29.25 69.34 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 120.817 -1.177 . . . . 0.0 113.218 171.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.4 mmt -64.04 -43.47 95.44 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.697 1.135 . . . . 0.0 111.808 168.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -57.57 -45.17 85.53 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 118.967 0.803 . . . . 0.0 111.377 174.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.7 t -61.56 -42.7 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.498 1.119 . . . . 0.0 112.321 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -68.09 -40.73 82.57 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.407 1.083 . . . . 0.0 110.564 -178.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.25 -46.93 81.63 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.528 0.731 . . . . 0.0 111.796 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -71.49 -26.57 62.75 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.779 1.232 . . . . 0.0 112.504 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.5 t -69.9 -32.47 70.81 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.255 1.422 . . . . 0.0 113.101 169.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -71.47 -44.46 64.71 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -176.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.65 -36.11 77.87 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.552 1.069 . . . . 0.0 112.136 173.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.96 -26.0 65.72 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.1 0.96 . . . . 0.0 113.209 178.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.35 -43.02 21.85 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.177 0.991 . . . . 0.0 112.189 167.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.2 tp -71.59 -27.67 63.29 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.484 -0.76 . . . . 0.0 112.761 -175.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -57.21 -32.96 67.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.016 0.926 . . . . 0.0 112.345 173.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -70.57 -17.96 62.91 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -97.43 -7.16 32.29 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.321 1.848 . . . . 0.0 114.091 174.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.9 t -66.41 22.2 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 128.523 2.729 . . . . 0.0 117.743 -167.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.2 p -60.51 -12.89 11.04 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.0 m -140.62 137.97 34.03 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.25 0.932 . . . . 0.0 109.833 158.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -58.13 -33.9 69.65 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.265 0.626 . . . . 0.0 112.138 174.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -63.08 -35.43 80.22 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.684 1.194 . . . . 0.0 111.883 176.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.82 -36.53 50.07 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.277 1.031 . . . . 0.0 112.03 175.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -60.49 -50.16 74.67 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.636 -0.665 . . . . 0.0 110.619 170.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -63.51 -43.53 96.95 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.502 1.121 . . . . 0.0 112.323 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -60.35 -45.24 94.16 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.498 0.719 . . . . 0.0 111.66 172.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.7 m -73.41 -35.38 65.85 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.782 -0.574 . . . . 0.0 111.829 -174.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 67.8 mmm -56.99 -50.8 71.59 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.77 0.714 . . . . 0.0 111.255 167.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -58.46 -43.07 88.71 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.498 1.119 . . . . 0.0 111.733 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 t -64.22 -42.65 96.5 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.962 1.305 . . . . 0.0 113.073 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -43.8 86.78 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.031 0.932 . . . . 0.0 111.317 173.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.89 -38.92 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 124.592 1.157 . . . . 0.0 111.38 176.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -63.01 -42.17 99.75 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.868 1.213 . . . . 0.0 112.063 174.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.2 -35.73 81.76 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 176.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.4 mtt -77.3 -33.08 55.74 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.291 1.036 . . . . 0.0 113.094 175.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 36.9 mtt-85 -59.77 -45.78 91.22 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.54 1.136 . . . . 0.0 110.83 168.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.9 m -57.98 -32.38 67.82 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.954 0.902 . . . . 0.0 112.168 172.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.2 m -69.53 -46.61 66.1 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 117.519 -1.229 . . . . 0.0 112.131 171.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -50.06 -46.21 53.01 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 120.638 1.563 . . . . 0.0 111.155 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -68.21 -35.97 78.79 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.277 1.831 . . . . 0.0 111.843 -174.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -70.68 -51.57 26.84 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.828 0.823 . . . . 0.0 112.218 173.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -56.92 -17.46 9.66 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.193 -1.367 . . . . 0.0 113.003 173.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -75.21 -50.56 15.82 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 118.747 0.703 . . . . 0.0 111.125 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -79.07 -31.88 44.6 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -170.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.56 -16.78 64.37 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 166.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.474 0.765 0 C-N-CA 123.614 0.766 . . . . 0.0 111.959 171.83 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.551 1.01 0 CA-C-O 119.074 -0.488 . . . . 0.0 111.637 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -51.14 134.17 42.95 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 124.579 3.519 . . . . 0.0 115.999 -167.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -34.45 55.62 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.287 1.035 . . . . 0.0 113.24 175.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -67.61 -37.9 83.18 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 174.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -70.99 -34.8 71.72 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.686 -1.258 . . . . 0.0 112.082 172.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 71.6 mtm-85 -63.56 -44.26 94.65 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.905 0.775 . . . . 0.0 111.18 172.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.8 m -66.22 -28.69 68.93 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.061 0.944 . . . . 0.0 113.175 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -69.24 -42.72 75.28 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.474 1.11 . . . . 0.0 111.987 171.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -61.59 -43.2 99.3 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.974 0.806 . . . . 0.0 111.79 172.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.7 t -57.64 -35.96 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 124.594 1.157 . . . . 0.0 111.219 174.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.66 74.99 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.494 1.043 . . . . 0.0 113.362 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -65.57 -41.84 92.44 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.469 -0.77 . . . . 0.0 111.674 172.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.95 -46.54 84.22 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.444 1.498 . . . . 0.0 111.69 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -47.24 71.59 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 124.674 1.19 . . . . 0.0 111.534 175.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.9 m -66.55 -30.67 71.03 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.081 0.953 . . . . 0.0 112.132 -177.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.5 t -74.53 -46.06 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 118.564 -0.732 . . . . 0.0 111.306 170.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.426 ' HA ' HG12 ' A' ' 26' ' ' ILE . 38.9 mt -66.52 -33.36 75.51 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.057 1.298 . . . . 0.0 112.874 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 70.5 mmm -59.18 -37.3 77.03 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.014 1.325 . . . . 0.0 111.468 166.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -39.64 93.19 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.214 0.606 . . . . 0.0 111.995 171.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.426 HG12 ' HA ' ' A' ' 23' ' ' LEU . 23.8 mm -62.38 -45.82 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 119.274 0.943 . . . . 0.0 108.823 176.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -65.71 -35.99 82.33 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -71.34 -42.46 68.49 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.329 1.052 . . . . 0.0 112.331 177.183 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.0 mt -68.3 -40.91 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.458 1.103 . . . . 0.0 110.669 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -72.2 -25.81 61.81 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.874 0.869 . . . . 0.0 113.218 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.06 51.05 36.04 Favored Glycine 0 CA--C 1.526 0.777 0 CA-C-N 119.331 0.969 . . . . 0.0 112.533 -173.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.13 -160.74 25.25 Favored Glycine 0 CA--C 1.535 1.328 0 CA-C-O 121.962 0.757 . . . . 0.0 112.974 165.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -117.83 168.25 10.65 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.505 2.322 . . . . 0.0 112.112 -170.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 t -59.54 -28.93 67.53 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.649 1.179 . . . . 0.0 112.49 168.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.9 m -69.22 -40.05 78.21 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.202 1.001 . . . . 0.0 111.676 169.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 m -67.65 -35.57 79.12 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.114 -0.991 . . . . 0.0 111.073 175.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.07 95.24 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.947 0.899 . . . . 0.0 112.077 171.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -62.25 -43.35 99.02 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.181 0.901 . . . . 0.0 112.592 170.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -61.74 -30.79 71.01 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.119 -0.988 . . . . 0.0 113.384 174.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.5 mmt -73.53 -41.12 63.43 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.024 0.93 . . . . 0.0 112.607 169.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -59.14 -42.05 89.72 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.165 1.386 . . . . 0.0 112.201 175.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 t -57.46 -37.04 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 126.061 1.745 . . . . 0.0 112.244 170.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -71.99 -35.24 69.42 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.277 1.031 . . . . 0.0 111.064 -176.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.04 -44.76 60.35 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.013 0.925 . . . . 0.0 112.514 175.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -63.34 -33.0 74.57 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.586 1.155 . . . . 0.0 112.69 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.2 p -78.59 -31.08 47.02 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.259 1.024 . . . . 0.0 113.641 173.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -62.42 -52.15 64.7 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.924 0.89 . . . . 0.0 112.78 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.9 -41.13 77.55 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.848 0.749 . . . . 0.0 111.919 177.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.01 -34.93 73.94 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.969 1.308 . . . . 0.0 114.011 -176.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.38 -40.39 51.15 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.367 0.667 . . . . 0.0 111.169 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.0 tp -70.96 -28.83 64.75 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 122.89 0.476 . . . . 0.0 111.988 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -63.97 -28.36 69.76 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.723 1.609 . . . . 0.0 113.267 172.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -71.94 -40.36 68.79 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.465 -1.397 . . . . 0.0 112.092 166.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -88.18 2.35 52.38 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.458 1.503 . . . . 0.0 115.048 -173.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 85.2 p -62.32 23.6 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 131.035 3.734 . . . . 0.0 118.019 -173.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.7 m -60.37 -20.3 58.98 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.469 -1.395 . . . . 0.0 114.528 -159.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.2 m -136.33 144.05 44.44 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.081 1.352 . . . . 0.0 110.253 154.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -60.87 -32.92 72.34 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.58 1.152 . . . . 0.0 111.38 176.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -55.8 -38.47 70.0 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.74 1.216 . . . . 0.0 112.684 173.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -81.45 -38.84 25.78 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.973 0.909 . . . . 0.0 112.494 174.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -56.67 -50.9 70.75 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.103 0.865 . . . . 0.0 110.567 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -72.79 -30.32 64.0 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.566 -0.709 . . . . 0.0 112.898 -177.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.39 -45.03 92.61 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.181 -0.95 . . . . 0.0 110.827 166.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.2 m -75.94 -39.48 56.04 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.003 0.921 . . . . 0.0 112.904 -174.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -64.71 -41.79 95.74 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.237 1.015 . . . . 0.0 111.635 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -64.96 -49.42 70.37 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.311 1.044 . . . . 0.0 109.83 170.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.9 m -65.79 -26.92 67.91 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.744 1.156 . . . . 0.0 114.12 -174.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -75.26 -43.5 51.08 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.595 1.089 . . . . 0.0 112.231 173.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 23.1 mt -56.37 -37.79 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.035 0.534 . . . . 0.0 110.554 167.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -66.37 -44.12 84.03 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.298 1.039 . . . . 0.0 112.981 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.27 93.37 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.079 0.552 . . . . 0.0 110.914 172.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.2 mtt -68.79 -38.28 79.88 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.527 -0.733 . . . . 0.0 112.824 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.0 mtm105 -60.26 -40.0 88.77 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 120.858 -1.151 . . . . 0.0 111.511 168.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.1 m -67.37 -36.7 81.9 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.91 0.884 . . . . 0.0 111.744 176.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.2 m -66.95 -42.01 85.97 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.663 1.185 . . . . 0.0 112.101 172.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -50.83 -39.94 54.58 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.766 1.626 . . . . 0.0 112.496 172.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.72 -40.19 66.33 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.027 1.331 . . . . 0.0 111.683 176.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -61.77 -49.89 74.54 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 120.566 -1.334 . . . . 0.0 113.513 175.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 72.2 mmt-85 -58.63 -17.53 22.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.914 0.886 . . . . 0.0 112.832 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -77.97 -41.56 35.68 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.301 0.955 . . . . 0.0 112.197 173.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 72.7 mtm-85 -63.78 -41.45 97.94 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.881 0.872 . . . . 0.0 111.517 173.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.07 -15.91 63.06 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 124.745 1.218 . . . . 0.0 112.984 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.4 t . . . . . 0 N--CA 1.479 0.986 0 CA-C-N 119.673 1.124 . . . . 0.0 112.898 172.643 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.551 0.987 0 CA-C-O 119.263 -0.398 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -58.73 135.82 69.69 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.44 2.76 . . . . 0.0 114.75 -168.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 69.5 mtm -66.04 -20.66 66.25 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 172.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -67.71 -34.77 77.53 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 120.276 1.398 . . . . 0.0 112.842 166.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -71.1 -53.17 15.54 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.135 0.879 . . . . 0.0 110.506 175.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -52.79 -47.95 67.19 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.751 0.705 . . . . 0.0 111.343 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.3 m -62.97 -27.47 69.42 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -73.46 -32.82 64.55 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 120.033 1.288 . . . . 0.0 112.007 171.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -71.36 -48.53 49.53 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.138 0.881 . . . . 0.0 111.31 172.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.7 t -56.05 -34.34 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 126.437 1.895 . . . . 0.0 111.312 173.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.14 -29.5 70.38 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.169 0.895 . . . . 0.0 112.764 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -74.62 -38.28 62.59 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.282 1.433 . . . . 0.0 112.031 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.94 -45.58 94.13 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.19 1.796 . . . . 0.0 110.466 166.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -48.17 81.09 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.166 0.986 . . . . 0.0 112.745 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.9 m -54.44 -37.31 65.01 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.984 0.913 . . . . 0.0 112.354 175.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.1 t -74.22 -42.54 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.161 0.984 . . . . 0.0 111.873 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.3 mt -66.56 -37.21 84.47 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.866 0.757 . . . . 0.0 112.47 175.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.9 mmt -60.89 -33.56 73.3 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.552 1.541 . . . . 0.0 111.706 170.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -34.68 78.67 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.441 -0.787 . . . . 0.0 112.121 174.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 mm -64.49 -36.97 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 O-C-N 121.335 -0.853 . . . . 0.0 110.191 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -61.8 -37.96 86.33 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.796 0.838 . . . . 0.0 111.826 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt -77.86 -30.78 51.09 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.461 1.504 . . . . 0.0 113.593 173.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.0 mt -75.12 -41.22 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.462 1.105 . . . . 0.0 112.192 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -112.98 14.22 19.64 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.012 1.325 . . . . 0.0 113.813 -167.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.3 21.38 75.83 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 121.043 -1.035 . . . . 0.0 115.463 175.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.81 142.74 48.35 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-N 118.109 0.955 . . . . 0.0 112.626 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.15 176.78 8.17 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.687 1.195 . . . . 0.0 113.482 177.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.3 p -62.86 -28.92 70.36 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.0 m -69.5 -40.18 77.15 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.511 1.125 . . . . 0.0 111.177 173.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.9 m -60.09 -41.12 91.79 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.556 0.742 . . . . 0.0 110.659 171.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.39 -34.8 76.68 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 121.392 -0.817 . . . . 0.0 112.717 175.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -63.28 -36.8 84.88 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 120.746 -1.221 . . . . 0.0 112.574 169.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -70.96 -29.39 65.39 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 170.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.6 mmt -62.07 -43.18 99.39 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.282 1.401 . . . . 0.0 111.576 168.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -57.09 -42.13 80.16 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.972 0.509 . . . . 0.0 111.779 171.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.5 t -69.35 -30.15 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 123.787 0.835 . . . . 0.0 112.802 174.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.38 -35.91 76.28 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 120.337 -1.477 . . . . 0.0 110.072 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.11 -48.18 58.67 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.205 1.002 . . . . 0.0 112.467 172.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -65.86 -31.03 71.75 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.348 1.059 . . . . 0.0 113.712 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.8 p -78.55 -24.85 45.42 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.72 1.208 . . . . 0.0 113.139 170.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.401 ' CD1' ' HE2' ' A' ' 68' ' ' LYS . 37.9 t80 -68.11 -45.68 73.04 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.522 1.055 . . . . 0.0 111.879 168.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -52.66 -51.74 58.86 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 121.647 0.737 . . . . 0.0 110.135 171.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.45 -33.82 76.41 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.48 -44.84 61.73 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.572 0.749 . . . . 0.0 111.29 175.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.6 tp -74.17 -28.07 61.12 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.583 1.153 . . . . 0.0 112.475 -175.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -60.63 -32.92 72.05 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.284 1.034 . . . . 0.0 112.394 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -71.5 -29.42 64.79 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.0 -1.063 . . . . 0.0 113.086 171.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -83.75 -3.2 57.61 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.763 1.625 . . . . 0.0 113.156 177.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.5 t -69.06 21.83 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 128.155 2.582 . . . . 0.0 116.408 -167.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.0 m -68.41 1.21 3.18 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -172.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.1 t -146.96 144.62 29.33 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.793 1.237 . . . . 0.0 109.529 152.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -68.04 -38.67 82.77 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.591 0.756 . . . . 0.0 110.932 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -54.44 -41.5 69.47 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.274 1.03 . . . . 0.0 111.125 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -78.57 -36.14 44.88 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.721 0.808 . . . . 0.0 112.794 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -60.03 -52.78 63.91 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.703 1.138 . . . . 0.0 110.596 174.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -71.23 -33.76 70.16 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.577 -0.702 . . . . 0.0 112.65 -176.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.95 -41.21 82.8 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.24 0.616 . . . . 0.0 111.785 171.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.0 m -68.44 -33.62 74.52 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.782 0.719 . . . . 0.0 111.704 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 61.0 tpp -62.03 -45.96 91.28 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.328 0.967 . . . . 0.0 111.692 170.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -62.02 -44.22 97.18 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.998 0.919 . . . . 0.0 111.407 174.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.1 t -60.6 -38.92 86.26 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.787 1.235 . . . . 0.0 112.983 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.401 ' HE2' ' CD1' ' A' ' 47' ' ' PHE . 53.7 tptt -68.06 -46.68 70.39 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.264 1.426 . . . . 0.0 112.151 175.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 57.5 mt -53.46 -49.17 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.428 1.091 . . . . 0.0 109.473 173.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.71 -41.56 95.91 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.61 1.164 . . . . 0.0 113.753 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.67 93.27 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.719 0.808 . . . . 0.0 111.935 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.6 mtt -71.3 -29.55 65.17 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.933 0.893 . . . . 0.0 112.153 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -36.88 85.08 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.701 1.137 . . . . 0.0 111.413 168.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.7 t -64.7 -41.56 95.92 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.869 -0.52 . . . . 0.0 111.903 170.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.2 m -59.73 -47.57 85.14 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.5 0.72 . . . . 0.0 111.388 173.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.05 -42.87 50.59 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 128.043 2.537 . . . . 0.0 114.144 176.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.15 -30.91 58.31 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.382 0.673 . . . . 0.0 112.295 178.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.1 tttt -70.42 -46.05 64.67 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.184 0.994 . . . . 0.0 112.443 175.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -53.58 -27.71 28.03 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.549 1.14 . . . . 0.0 111.924 168.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -77.48 -39.37 46.74 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.517 1.053 . . . . 0.0 112.272 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -64.96 -38.17 90.08 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.166 0.986 . . . . 0.0 112.441 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -75.24 -21.43 58.59 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 124.528 1.131 . . . . 0.0 113.072 173.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.482 1.138 0 CA-C-N 119.835 1.198 . . . . 0.0 112.982 -179.48 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.442 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.1 OUTLIER . . . . . 0 CA--C 1.547 0.845 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 7' ' ' ILE . 52.7 Cg_exo -60.61 139.45 85.95 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.411 2.074 . . . . 0.0 114.101 -174.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.1 ptp -64.19 -30.22 71.29 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.925 -0.485 . . . . 0.0 111.567 177.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -66.33 -40.85 90.13 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.68 1.192 . . . . 0.0 111.109 175.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -66.5 -42.15 87.82 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.5 -0.75 . . . . 0.0 111.474 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -61.56 -46.6 89.24 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.874 -0.516 . . . . 0.0 110.982 168.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.4 m -60.92 -35.27 76.27 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -66.3 -35.92 81.63 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.468 1.031 . . . . 0.0 112.561 173.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -71.9 -38.66 69.92 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.458 0.703 . . . . 0.0 112.086 174.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.63 -43.32 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.692 0.797 . . . . 0.0 110.736 171.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.03 -35.69 81.25 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.338 0.972 . . . . 0.0 112.599 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -64.66 -45.62 85.97 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.173 1.389 . . . . 0.0 111.459 174.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tt -60.71 -52.6 64.41 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.958 1.703 . . . . 0.0 112.221 172.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.83 -48.41 72.87 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.76 1.624 . . . . 0.0 110.081 -178.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.6 m -63.92 -31.34 72.48 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.508 0.723 . . . . 0.0 112.505 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.9 t -72.86 -40.84 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.111 -0.993 . . . . 0.0 111.75 173.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.2 mt -63.56 -36.95 85.5 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.561 1.073 . . . . 0.0 111.485 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 22.1 mmt -61.23 -26.22 67.6 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.018 1.327 . . . . 0.0 112.969 171.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -67.48 -39.93 85.27 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 120.129 1.331 . . . . 0.0 110.834 171.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.5 mm -64.45 -40.99 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 121.003 -1.06 . . . . 0.0 109.904 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -60.49 -36.44 78.31 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.223 1.009 . . . . 0.0 112.524 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -69.52 -51.6 34.18 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.406 1.083 . . . . 0.0 112.023 169.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 55.9 mt -54.32 -47.35 69.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.139 1.376 . . . . 0.0 111.679 -177.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -95.88 8.68 42.94 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -177.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 67.28 20.26 71.18 Favored Glycine 0 N--CA 1.471 1.018 0 O-C-N 121.076 -1.015 . . . . 0.0 115.154 174.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.7 137.4 48.63 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.461 1.029 . . . . 0.0 112.349 -174.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -60.27 160.55 8.29 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.251 1.021 . . . . 0.0 113.081 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.4 p -60.17 -34.03 73.02 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.471 -1.393 . . . . 0.0 114.133 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.1 m -68.42 -34.73 76.51 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.089 -1.007 . . . . 0.0 110.891 171.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.3 m -64.98 -31.94 73.43 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.759 -1.213 . . . . 0.0 111.358 171.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.97 -35.77 77.11 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.224 -0.923 . . . . 0.0 111.98 170.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -65.54 -38.97 91.17 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.698 -1.251 . . . . 0.0 112.611 169.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -57.37 -30.69 65.09 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.742 -1.224 . . . . 0.0 112.729 168.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.3 mmt -73.72 -39.56 64.2 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.619 1.1 . . . . 0.0 112.805 170.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -54.02 -44.82 71.29 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 119.386 0.994 . . . . 0.0 111.111 170.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.5 t -64.14 -39.22 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.256 1.422 . . . . 0.0 112.467 174.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.56 -39.03 88.3 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.942 -1.099 . . . . 0.0 110.182 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.8 -49.69 56.48 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.698 0.799 . . . . 0.0 112.694 177.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -64.7 -39.14 93.14 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.889 0.876 . . . . 0.0 112.265 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.3 p -73.0 -36.44 67.03 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 176.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -54.04 -50.27 67.06 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.338 0.972 . . . . 0.0 111.632 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . 0.266 0.5 OUTLIER -71.71 -35.6 70.28 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -178.079 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.33 98.3 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.59 0.632 . . . . 0.0 112.118 177.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.07 -36.68 77.91 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.615 0.766 . . . . 0.0 111.606 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.9 tp -72.74 -32.16 65.47 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.165 0.986 . . . . 0.0 112.63 176.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -63.25 -30.54 71.66 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.714 1.206 . . . . 0.0 111.819 174.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -71.47 -32.93 68.84 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 120.817 -1.177 . . . . 0.0 113.297 168.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -81.33 -4.25 55.09 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.319 1.448 . . . . 0.0 114.437 174.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.6 p -66.62 22.48 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 117.333 2.346 . . . . 0.0 117.333 -173.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.2 m -60.4 -8.11 2.48 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.036 1.334 . . . . 0.0 114.123 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.0 p -134.7 150.66 50.63 Favored 'General case' 0 C--O 1.238 0.484 0 O-C-N 121.488 -0.757 . . . . 0.0 111.246 143.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -57.61 -37.09 72.68 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.143 0.977 . . . . 0.0 110.722 169.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -65.38 -28.01 68.97 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -80.12 -38.92 30.55 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 120.296 1.407 . . . . 0.0 112.706 170.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -60.56 -50.89 71.73 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.036 0.834 . . . . 0.0 110.204 174.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -65.58 -41.92 92.33 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.251 -0.88 . . . . 0.0 112.963 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -63.11 -47.03 84.58 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.279 0.945 . . . . 0.0 111.806 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.6 m -70.87 -39.06 73.07 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.503 0.592 . . . . 0.0 111.153 -176.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 63.2 tpp -56.7 -52.58 64.38 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.284 0.633 . . . . 0.0 110.697 172.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -61.82 -43.65 98.42 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.083 0.553 . . . . 0.0 111.305 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.3 m -71.92 -33.92 68.66 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 121.313 -0.867 . . . . 0.0 113.282 -174.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -74.93 -38.27 61.81 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 118.785 0.72 . . . . 0.0 111.967 172.188 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 59.0 mt -58.78 -47.33 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 118.736 0.698 . . . . 0.0 110.32 170.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -66.93 -34.68 78.3 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.543 1.065 . . . . 0.0 112.793 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.59 -40.23 96.23 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.097 0.862 . . . . 0.0 112.004 171.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.8 mmt -72.77 -38.77 67.19 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 120.944 -1.098 . . . . 0.0 112.337 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.0 mtt-85 -57.74 -44.68 86.24 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.477 1.111 . . . . 0.0 111.412 169.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.1 m -72.59 -22.22 61.01 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.3 1.04 . . . . 0.0 113.12 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.4 m -68.24 -43.3 78.22 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.391 168.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.5 mtm180 -52.98 -39.54 63.11 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 120.476 1.489 . . . . 0.0 112.97 173.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.44 -35.68 75.91 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.763 1.225 . . . . 0.0 111.361 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.6 tttm -78.27 -46.75 19.44 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 174.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.2 mmt85 -53.88 -23.14 11.63 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.138 0.975 . . . . 0.0 112.352 171.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -73.11 -40.78 64.68 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.219 0.918 . . . . 0.0 111.559 174.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.27 -24.62 24.29 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.187 1.395 . . . . 0.0 114.494 -178.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.81 -34.3 77.84 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.524 0.729 . . . . 0.0 110.597 162.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 177.881 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.438 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER . . . . . 0 CA--C 1.548 0.895 0 CA-C-O 119.772 -0.156 . . . . 0.0 111.195 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 7' ' ' ILE . 50.5 Cg_exo -60.13 145.82 97.6 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.078 2.519 . . . . 0.0 113.897 -172.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.5 ttt -61.5 -30.45 70.63 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 122.896 0.479 . . . . 0.0 111.067 170.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -59.91 -44.51 94.25 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.576 -0.703 . . . . 0.0 111.921 173.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -70.34 -40.06 74.34 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.383 -0.823 . . . . 0.0 111.86 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -61.81 -51.05 69.84 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.22 1.008 . . . . 0.0 111.807 173.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.3 m -62.66 -30.2 71.2 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.837 0.855 . . . . 0.0 112.58 175.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -69.8 -39.79 76.37 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.144 0.884 . . . . 0.0 112.15 170.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -31.59 70.77 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.619 1.1 . . . . 0.0 111.336 175.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.2 t -64.75 -42.42 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-O 117.578 -1.201 . . . . 0.0 111.007 167.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.86 -36.05 78.17 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 121.247 1.84 . . . . 0.0 113.232 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -62.82 -38.53 91.07 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.93 1.292 . . . . 0.0 112.73 173.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tt -73.88 -44.79 54.24 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.106 1.763 . . . . 0.0 111.981 173.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.24 -46.87 79.4 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 126.622 1.969 . . . . 0.0 109.712 -178.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.2 m -63.11 -32.63 74.05 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.999 0.92 . . . . 0.0 112.683 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 36.0 t -74.08 -43.07 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.706 0.802 . . . . 0.0 111.565 174.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.4 mt -66.89 -35.68 80.56 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.432 1.015 . . . . 0.0 112.174 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.2 mmt -62.43 -32.94 73.88 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.947 0.899 . . . . 0.0 112.117 169.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -37.56 87.83 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.913 0.779 . . . . 0.0 111.87 173.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.5 mm -57.8 -46.31 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 173.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -70.23 -36.23 74.37 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -175.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -73.82 -28.11 61.45 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.571 1.548 . . . . 0.0 113.883 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.2 mt -75.68 -47.92 31.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.738 0.815 . . . . 0.0 110.323 171.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -75.93 -13.96 60.25 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.151 1.38 . . . . 0.0 114.123 -174.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.32 28.5 73.64 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 120.879 -1.138 . . . . 0.0 113.21 -172.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.6 142.55 46.98 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 117.952 0.876 . . . . 0.0 111.631 178.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -57.13 162.27 2.68 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.877 1.671 . . . . 0.0 113.841 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 97.1 p -51.55 -36.09 43.64 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.557 1.143 . . . . 0.0 112.549 169.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.5 m -62.55 -38.94 91.99 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.356 1.062 . . . . 0.0 111.477 174.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 m -72.53 -37.79 68.21 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.985 1.314 . . . . 0.0 112.342 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.7 87.65 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 118.949 0.795 . . . . 0.0 111.349 171.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -63.37 -35.81 81.63 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.314 -0.866 . . . . 0.0 113.046 170.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -65.43 -35.16 80.09 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.676 1.125 . . . . 0.0 113.582 167.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.5 mmt -63.24 -40.3 97.05 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 120.395 1.452 . . . . 0.0 111.4 173.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -58.93 -46.95 86.72 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.084 0.554 . . . . 0.0 111.992 170.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.95 -39.45 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 123.917 0.887 . . . . 0.0 112.178 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.37 -36.66 81.8 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.552 1.141 . . . . 0.0 110.28 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.23 -45.62 54.98 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.462 0.705 . . . . 0.0 112.857 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -67.4 -28.13 67.66 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.068 1.347 . . . . 0.0 112.303 173.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.6 t -66.68 -39.18 88.03 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 123.365 0.666 . . . . 0.0 111.136 166.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -63.11 -39.98 96.29 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.922 1.237 . . . . 0.0 113.816 -175.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -66.3 -40.75 90.2 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.597 1.089 . . . . 0.0 112.577 172.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.0 -40.06 78.96 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.413 -0.805 . . . . 0.0 112.391 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.13 -33.86 77.03 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 125.398 1.479 . . . . 0.0 111.783 175.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 tp -78.83 -37.58 40.2 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 118.949 -0.548 . . . . 0.0 111.631 174.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -55.72 -31.91 62.9 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.996 1.318 . . . . 0.0 112.444 171.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -68.83 -24.87 64.42 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 124.784 1.234 . . . . 0.0 113.471 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -119.46 10.27 11.81 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 126.357 1.863 . . . . 0.0 115.853 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.3 t -59.78 26.61 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 130.809 3.644 . . . . 0.0 118.015 -173.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 80.4 p -57.66 -1.07 0.08 Allowed 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 117.319 2.34 . . . . 0.0 117.319 -169.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 t -160.37 151.57 19.23 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.888 1.675 . . . . 0.0 110.803 161.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -61.64 -41.31 97.32 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 121.234 -0.916 . . . . 0.0 112.299 178.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -55.58 -43.46 76.0 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.002 0.365 . . . . 0.0 111.189 176.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -67.68 -40.91 84.37 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -60.1 -51.0 71.5 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 121.428 0.632 . . . . 0.0 110.019 174.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -65.8 -41.58 91.74 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 120.762 -1.211 . . . . 0.0 112.894 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -74.28 -38.15 63.5 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.346 1.058 . . . . 0.0 112.844 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.5 m -68.92 -42.42 76.81 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.022 0.828 . . . . 0.0 111.395 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.7 ttt -64.84 -39.93 94.36 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.698 0.681 . . . . 0.0 111.368 177.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.8 tmtp? -65.21 -39.24 92.52 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.304 0.642 . . . . 0.0 112.003 172.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.2 t -58.99 -45.76 89.83 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.54 1.136 . . . . 0.0 111.894 175.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -75.51 -36.69 60.48 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 117.775 -1.107 . . . . 0.0 113.501 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.06 -41.93 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 120.378 1.444 . . . . 0.0 110.426 171.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -61.73 -36.04 79.82 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.827 1.251 . . . . 0.0 112.79 175.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.33 -41.72 63.14 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.488 0.715 . . . . 0.0 112.287 172.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.2 mtt -67.93 -29.51 68.6 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.732 -1.23 . . . . 0.0 112.046 177.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -61.08 -39.83 91.38 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.236 1.014 . . . . 0.0 111.093 165.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.3 m -63.88 -42.33 97.52 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.25 0.932 . . . . 0.0 111.663 171.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.4 m -62.51 -47.95 81.67 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.827 0.851 . . . . 0.0 111.33 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -50.23 -48.65 54.4 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.794 2.038 . . . . 0.0 111.786 169.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -64.74 -37.21 86.83 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.627 0.771 . . . . 0.0 109.73 -175.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -67.86 -45.42 74.63 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.15 1.38 . . . . 0.0 113.242 174.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -54.23 -28.67 42.72 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 118.556 -0.735 . . . . 0.0 111.702 169.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -76.07 -38.51 56.96 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 119.95 1.25 . . . . 0.0 111.069 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -65.39 -27.46 68.57 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.804 1.642 . . . . 0.0 112.962 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -85.89 -18.4 32.87 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.271 1.428 . . . . 0.0 113.393 170.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.48 1.058 0 C-N-CA 123.773 0.829 . . . . 0.0 112.797 178.87 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.1 OUTLIER . . . . . 0 CA--C 1.552 1.027 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 7' ' ' ILE . 38.8 Cg_exo -68.46 141.7 51.78 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.213 2.609 . . . . 0.0 114.535 -177.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -59.09 -29.23 67.2 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.009 0.924 . . . . 0.0 112.745 173.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -64.79 -38.68 91.82 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.588 -0.695 . . . . 0.0 111.693 175.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -70.4 -37.14 74.44 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.94 -0.475 . . . . 0.0 110.776 175.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.9 mtm-85 -57.96 -46.74 84.63 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.596 -0.69 . . . . 0.0 110.96 170.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.0 m -64.72 -34.4 78.23 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.045 0.938 . . . . 0.0 112.812 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -63.46 -35.82 81.7 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.209 1.368 . . . . 0.0 112.45 170.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -70.26 -42.56 71.99 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.568 0.747 . . . . 0.0 111.169 172.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.45 -42.13 94.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 124.51 1.124 . . . . 0.0 110.971 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.31 -34.35 72.22 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.244 1.018 . . . . 0.0 112.912 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -72.94 -36.7 67.25 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.078 1.351 . . . . 0.0 112.158 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 tt -66.12 -48.02 72.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.304 1.842 . . . . 0.0 112.001 167.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.58 -46.21 87.41 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.502 1.521 . . . . 0.0 110.398 -177.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 84.8 m -61.25 -30.37 70.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.16 1.384 . . . . 0.0 112.911 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.4 t -75.18 -44.27 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 O-C-N 120.534 -1.354 . . . . 0.0 112.019 171.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.3 mt -64.0 -36.32 83.6 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.699 1.136 . . . . 0.0 111.992 176.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 20.3 mmt -61.81 -28.83 69.75 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.613 1.565 . . . . 0.0 113.006 170.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -35.09 66.02 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.656 0.782 . . . . 0.0 111.897 173.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.8 mm -61.85 -40.76 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 O-C-N 121.126 -0.984 . . . . 0.0 109.457 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -61.21 -29.81 70.05 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.507 0.723 . . . . 0.0 112.217 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -76.58 -51.89 10.78 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.512 1.125 . . . . 0.0 112.308 168.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.4 mt -57.02 -41.2 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.53 1.132 . . . . 0.0 112.584 -174.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -92.18 -4.75 53.74 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.139 1.376 . . . . 0.0 114.691 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.5 35.06 80.62 Favored Glycine 0 N--CA 1.476 1.35 0 CA-C-N 119.421 1.009 . . . . 0.0 115.179 -177.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.57 162.9 47.13 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-O 123.502 1.612 . . . . 0.0 114.762 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.71 165.87 12.74 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.812 2.445 . . . . 0.0 114.013 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.3 t -59.62 -35.47 74.44 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.941 1.696 . . . . 0.0 113.868 173.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.7 p -64.91 -44.41 89.66 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 120.828 -1.17 . . . . 0.0 111.966 175.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.5 m -64.76 -32.87 74.75 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.65 1.18 . . . . 0.0 111.834 173.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.9 -37.28 72.98 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.32 1.048 . . . . 0.0 113.263 172.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -59.47 -34.33 72.43 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.595 -1.315 . . . . 0.0 112.504 169.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -75.22 -27.43 59.55 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.547 1.539 . . . . 0.0 113.482 171.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.4 mmt -68.47 -40.52 80.98 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.561 1.073 . . . . 0.0 112.401 166.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -54.34 -42.56 70.35 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.672 0.789 . . . . 0.0 112.01 170.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.0 t -65.06 -35.56 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.001 0.92 . . . . 0.0 112.801 174.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -64.86 -45.69 85.02 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.145 1.339 . . . . 0.0 109.808 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.82 86.92 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.08 -47.01 84.73 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.155 0.982 . . . . 0.0 112.561 175.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -66.99 -27.26 67.29 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 118.412 -0.804 . . . . 0.0 112.997 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -69.37 -48.9 59.83 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.338 -0.839 . . . . 0.0 112.984 173.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . 0.296 0.7 OUTLIER -65.25 -29.35 70.12 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 120.725 1.602 . . . . 0.0 112.668 174.477 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.69 -27.89 64.35 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 173.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.2 -45.37 40.92 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.148 0.885 . . . . 0.0 111.603 171.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.3 tp -71.17 -32.34 68.77 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.147 0.979 . . . . 0.0 112.01 -175.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -56.5 -37.75 70.83 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.862 0.865 . . . . 0.0 112.965 176.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -71.42 -12.91 61.65 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -119.79 10.34 11.6 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 127.221 2.208 . . . . 0.0 114.264 173.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.1 t -67.34 23.55 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 129.139 2.976 . . . . 0.0 116.005 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 m -65.07 -8.0 14.56 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.735 1.614 . . . . 0.0 114.276 -166.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.7 t -137.63 143.86 41.64 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 125.586 1.554 . . . . 0.0 110.278 158.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.5 tttm -58.23 -39.07 78.13 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.563 0.745 . . . . 0.0 111.374 170.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -59.23 -45.82 90.13 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 118.437 0.562 . . . . 0.0 111.441 177.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -69.14 -40.87 77.97 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.529 0.731 . . . . 0.0 112.172 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -58.43 -52.29 66.24 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.744 0.702 . . . . 0.0 110.451 173.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -69.98 -36.45 75.19 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.321 -0.862 . . . . 0.0 112.394 -177.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -67.07 -35.6 80.18 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.338 0.972 . . . . 0.0 111.794 174.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.8 m -76.3 -37.62 57.22 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.513 0.597 . . . . 0.0 112.098 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 94.3 mmm -59.17 -49.05 79.33 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.557 -0.715 . . . . 0.0 110.119 169.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -56.04 -43.51 77.9 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.75 0.82 . . . . 0.0 111.316 172.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.2 t -56.77 -45.28 82.21 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.676 1.191 . . . . 0.0 113.393 176.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -73.97 -38.53 64.16 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.466 -0.772 . . . . 0.0 112.074 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.29 -43.04 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.78 0.832 . . . . 0.0 110.826 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.58 -32.82 66.3 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.932 1.242 . . . . 0.0 112.816 -178.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.16 -46.91 86.86 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.889 -0.507 . . . . 0.0 111.068 167.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 17.8 mmt -68.1 -32.53 72.9 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 175.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.4 ttm-85 -66.21 -39.25 89.48 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.375 1.47 . . . . 0.0 111.257 173.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.1 m -64.17 -45.54 87.95 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.969 0.908 . . . . 0.0 111.134 171.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.9 m -65.64 -37.72 87.34 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.723 1.209 . . . . 0.0 112.58 177.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -58.68 -38.85 79.11 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.372 1.869 . . . . 0.0 111.833 174.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.14 -33.17 61.51 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.686 0.794 . . . . 0.0 111.604 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -63.24 -50.35 70.55 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.377 -0.827 . . . . 0.0 111.464 172.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -56.3 -24.47 43.46 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.936 1.294 . . . . 0.0 112.571 168.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -78.58 -46.65 18.89 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.929 1.24 . . . . 0.0 111.58 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -79.46 -20.32 47.69 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.11 1.364 . . . . 0.0 114.308 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -87.17 -1.36 57.84 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.374 1.47 . . . . 0.0 112.833 164.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 N--CA 1.477 0.881 0 O-C-N 121.177 -0.952 . . . . 0.0 111.555 166.271 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.804 0 CA-C-O 119.42 -0.324 . . . . 0.0 111.53 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -53.73 131.51 44.44 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.273 2.649 . . . . 0.0 113.743 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.8 ptp -66.53 -27.1 67.49 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.776 -0.578 . . . . 0.0 112.11 176.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -63.45 -40.77 98.01 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.702 -0.624 . . . . 0.0 112.117 169.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.0 tp-100 -67.7 -40.16 84.35 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.348 -0.845 . . . . 0.0 111.218 177.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 mtm-85 -59.04 -51.32 70.55 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 118.93 0.786 . . . . 0.0 110.494 172.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.2 m -59.48 -31.19 69.12 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -74.72 -34.18 62.54 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.271 1.028 . . . . 0.0 113.242 174.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -70.02 -44.04 70.1 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.36 -0.838 . . . . 0.0 111.188 172.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.0 t -58.0 -37.43 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.573 1.549 . . . . 0.0 110.958 170.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.61 -25.28 64.78 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 119.995 1.271 . . . . 0.0 113.322 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -71.04 -45.14 64.4 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.128 -0.982 . . . . 0.0 110.084 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 tt -57.03 -46.37 82.43 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.863 1.265 . . . . 0.0 111.76 168.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -43.26 91.59 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.27 1.428 . . . . 0.0 111.558 177.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.7 m -63.74 -30.04 71.19 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.678 1.191 . . . . 0.0 112.475 177.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.3 t -75.18 -41.8 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.231 1.013 . . . . 0.0 112.261 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.38 -35.09 77.18 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.828 1.195 . . . . 0.0 112.759 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 10.2 mmt -53.44 -39.98 64.84 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.057 1.743 . . . . 0.0 111.253 165.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -39.17 89.38 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.827 0.451 . . . . 0.0 111.718 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mm -64.19 -40.35 88.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 118.794 0.725 . . . . 0.0 109.898 174.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -64.18 -42.49 96.67 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 122.932 0.493 . . . . 0.0 111.059 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -69.07 -40.72 78.3 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.231 -0.918 . . . . 0.0 112.76 172.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.3 mt -59.73 -41.26 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.923 0.889 . . . . 0.0 111.61 176.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -78.78 -26.36 44.46 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 173.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.55 43.74 35.66 Favored Glycine 0 N--CA 1.47 0.924 0 CA-C-N 119.256 0.935 . . . . 0.0 112.562 -164.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.49 146.4 49.71 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.999 1.285 . . . . 0.0 113.642 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.13 156.2 32.41 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.628 1.971 . . . . 0.0 112.66 174.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.6 t -64.6 -20.35 66.21 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.681 -1.262 . . . . 0.0 113.55 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.2 p -68.52 -41.39 80.01 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 120.559 -1.338 . . . . 0.0 111.92 167.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.4 m -67.58 -38.78 84.55 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.261 1.424 . . . . 0.0 111.024 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.36 -44.64 92.67 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.565 0.746 . . . . 0.0 111.487 170.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -63.73 -33.66 76.14 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.918 -1.114 . . . . 0.0 113.565 174.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -77.72 -29.73 51.4 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -29.53 57.74 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.612 1.551 . . . . 0.0 112.351 171.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -56.35 -42.47 77.8 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 120.941 -1.1 . . . . 0.0 112.125 166.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.2 t -65.62 -29.7 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 125.215 1.406 . . . . 0.0 113.098 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -71.27 -39.86 71.3 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.895 1.278 . . . . 0.0 110.392 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.0 83.73 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.08 0.552 . . . . 0.0 111.982 171.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -60.57 -36.68 79.11 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.811 0.844 . . . . 0.0 112.921 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 t -68.27 -39.11 82.29 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.524 0.73 . . . . 0.0 112.063 174.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -64.64 -45.48 86.63 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.046 0.839 . . . . 0.0 112.057 173.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.74 -56.26 21.2 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 126.219 1.807 . . . . 0.0 111.73 178.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.96 -31.69 72.97 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.372 1.469 . . . . 0.0 113.556 -177.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.62 -36.92 60.11 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.012 0.525 . . . . 0.0 111.323 175.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.3 tp -76.12 -37.99 57.39 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.517 0.727 . . . . 0.0 112.347 178.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -58.76 -24.53 61.81 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.935 1.294 . . . . 0.0 112.435 171.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -69.95 -21.7 63.24 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.086 -1.634 . . . . 0.0 114.485 172.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.97 11.69 11.82 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 116.098 1.888 . . . . 0.0 116.098 176.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.4 p -69.3 19.26 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 118.088 2.625 . . . . 0.0 118.088 -174.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.4 p -64.46 -6.95 8.31 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 -167.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.4 m -128.63 136.44 50.68 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.053 0.941 . . . . 0.0 109.493 152.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.3 tttm -57.24 -36.12 70.55 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.944 1.298 . . . . 0.0 111.67 176.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.56 -39.13 72.94 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.584 0.753 . . . . 0.0 112.73 175.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -77.69 -39.92 43.2 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.475 1.034 . . . . 0.0 112.165 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -58.24 -47.51 83.32 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.538 0.608 . . . . 0.0 110.45 171.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -63.26 -48.97 75.96 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.533 -0.729 . . . . 0.0 111.659 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -61.43 -38.64 87.88 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.681 1.128 . . . . 0.0 113.133 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.2 m -73.66 -40.74 63.48 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.71 -0.619 . . . . 0.0 111.13 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.2 mmt -56.43 -50.01 72.89 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 119.014 -0.517 . . . . 0.0 110.697 168.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -48.03 78.43 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.304 1.041 . . . . 0.0 111.266 177.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.3 m -60.37 -45.75 92.42 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.692 1.197 . . . . 0.0 112.696 -178.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -75.25 -36.51 61.25 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.504 0.722 . . . . 0.0 112.714 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.4 mt -59.61 -44.93 94.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 119.008 0.822 . . . . 0.0 109.935 170.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.59 -37.61 88.15 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.795 1.179 . . . . 0.0 113.166 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.53 91.33 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.694 -0.629 . . . . 0.0 111.757 170.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.6 mmt -75.09 -36.39 61.73 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 120.816 -1.177 . . . . 0.0 113.343 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -57.04 -48.66 77.98 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.703 1.201 . . . . 0.0 110.341 167.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.6 m -60.46 -35.44 75.88 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.597 0.759 . . . . 0.0 111.829 173.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.4 m -68.52 -32.09 71.79 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 117.362 -1.304 . . . . 0.0 112.349 176.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -49.96 -47.33 52.66 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 121.246 1.839 . . . . 0.0 111.909 171.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.18 -41.65 76.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 113.879 -1.51 . . . . 0.0 110.807 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -63.86 -51.62 63.8 Favored 'General case' 0 CA--C 1.511 -0.531 0 O-C-N 121.823 -0.548 . . . . 0.0 112.063 175.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 50.5 mmt-85 -60.14 -20.38 58.17 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.101 0.96 . . . . 0.0 112.233 173.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -80.03 -43.79 21.27 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 119.635 1.107 . . . . 0.0 111.396 174.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -71.05 -27.77 63.89 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.888 1.275 . . . . 0.0 113.058 176.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.9 -18.31 62.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.676 1.991 . . . . 0.0 113.229 164.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 71.4 m . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -178.818 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.4 ttm . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 110.831 -0.063 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.7 p -62.73 -11.43 17.47 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -177.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 p -56.12 -46.39 79.18 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 120.613 -1.304 . . . . 0.0 112.346 170.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 tmmt? -57.97 -23.59 54.46 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.974 1.31 . . . . 0.0 112.842 174.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -92.67 -8.26 44.54 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.74 1.216 . . . . 0.0 112.86 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.95 -3.36 2.02 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 -168.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.438 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -52.54 124.71 34.3 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 126.149 1.78 . . . . 0.0 112.197 -172.342 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 7' ' ' ILE . 39.5 Cg_exo -61.96 138.53 74.0 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.428 2.752 . . . . 0.0 114.001 -175.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 53.7 ttm -62.11 -32.68 73.28 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.171 -0.956 . . . . 0.0 111.825 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.4 p80 -60.81 -34.87 75.2 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 120.145 1.339 . . . . 0.0 112.807 174.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -71.28 -43.8 66.46 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.416 1.086 . . . . 0.0 111.697 173.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -58.68 -50.38 74.1 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.59 -0.694 . . . . 0.0 110.799 174.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.0 m -58.68 -34.76 71.64 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 118.435 -0.793 . . . . 0.0 113.018 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -70.27 -31.78 69.3 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.804 1.184 . . . . 0.0 112.673 176.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -77.57 -45.51 25.08 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.658 1.183 . . . . 0.0 113.122 174.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.3 t -53.14 -35.72 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 126.217 1.807 . . . . 0.0 110.76 168.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.49 -22.64 65.45 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.24 -37.53 60.99 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 120.177 -1.577 . . . . 0.0 112.663 171.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.57 -46.3 90.48 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.77 1.628 . . . . 0.0 111.156 167.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -49.0 64.55 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.983 1.713 . . . . 0.0 111.17 177.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.9 m -61.46 -35.13 76.74 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.583 1.153 . . . . 0.0 113.108 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.1 t -72.51 -37.94 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 119.141 0.882 . . . . 0.0 111.486 174.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.3 mt -68.64 -38.31 80.39 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.565 1.075 . . . . 0.0 111.883 174.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 21.5 mmt -60.38 -33.49 72.54 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.012 1.325 . . . . 0.0 112.452 171.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.36 -32.95 74.85 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.869 1.268 . . . . 0.0 112.17 170.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.8 mm -67.06 -38.96 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 O-C-N 120.43 -1.419 . . . . 0.0 109.76 173.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -66.42 -28.93 69.0 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -69.87 -55.34 10.0 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.059 1.344 . . . . 0.0 111.941 166.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.7 mt -65.02 -37.06 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.978 1.311 . . . . 0.0 112.82 -172.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -88.58 -8.41 54.78 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.188 0.995 . . . . 0.0 113.442 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 60.64 51.7 57.06 Favored Glycine 0 C--N 1.339 0.728 0 C-N-CA 125.34 1.448 . . . . 0.0 114.842 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.77 -170.06 45.17 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-O 122.752 1.196 . . . . 0.0 114.703 172.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -107.2 164.19 12.38 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.785 2.434 . . . . 0.0 114.007 -171.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.3 t -51.32 -39.27 56.58 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.074 1.75 . . . . 0.0 114.17 171.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.3 p -71.57 -31.53 67.07 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.385 1.074 . . . . 0.0 112.478 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.1 m -71.89 -31.35 66.33 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.084 0.954 . . . . 0.0 110.914 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.17 -32.74 73.21 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.281 1.032 . . . . 0.0 112.339 167.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -64.44 -40.53 95.92 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.536 -1.352 . . . . 0.0 112.341 166.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -59.05 -36.7 75.48 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.532 1.06 . . . . 0.0 112.891 168.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.1 mmt -61.45 -41.74 97.68 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 120.163 1.347 . . . . 0.0 112.312 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -59.64 -44.52 93.49 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 121.88 -0.512 . . . . 0.0 111.728 173.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.8 t -63.26 -36.02 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.504 1.122 . . . . 0.0 112.158 176.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -68.6 -43.73 75.81 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 124.459 1.104 . . . . 0.0 109.789 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.68 -47.89 83.29 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -70.48 -23.98 62.78 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.3 t -76.21 -41.73 48.44 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.969 0.804 . . . . 0.0 111.633 167.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -59.45 -45.56 91.26 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.616 0.766 . . . . 0.0 112.046 174.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -53.23 -55.4 24.73 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.221 1.809 . . . . 0.0 111.311 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.4 -33.95 76.67 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.377 1.471 . . . . 0.0 112.918 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.74 -26.65 34.35 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.255 1.022 . . . . 0.0 112.465 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.4 tp -74.25 -35.82 63.83 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.95 0.9 . . . . 0.0 111.091 168.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -59.38 -30.05 68.14 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.66 0.784 . . . . 0.0 112.42 174.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.55 -25.7 68.36 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 120.579 -1.326 . . . . 0.0 114.083 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.262 53.6 pttt -118.2 11.32 13.17 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 127.252 2.221 . . . . 0.0 115.059 -175.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 94.7 p -53.03 18.22 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 131.627 3.971 . . . . 0.0 120.41 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 57.9 m -61.37 -5.19 1.54 Allowed 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 117.929 2.566 . . . . 0.0 117.929 -160.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 t -145.72 151.48 38.07 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.454 1.501 . . . . 0.0 109.342 157.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -57.57 -38.56 75.02 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.568 -0.708 . . . . 0.0 111.291 170.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -69.79 -24.28 63.47 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 176.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -79.99 -39.23 30.47 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.618 -1.301 . . . . 0.0 111.594 173.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -60.27 -51.33 70.01 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.751 0.705 . . . . 0.0 110.389 169.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -63.62 -45.35 90.71 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.784 0.834 . . . . 0.0 112.888 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -72.07 -36.94 69.7 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.788 1.176 . . . . 0.0 112.305 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.2 m -66.45 -37.73 85.79 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.234 0.924 . . . . 0.0 111.931 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 62.3 tpp -60.7 -48.19 82.9 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.457 0.703 . . . . 0.0 110.881 171.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.49 -44.57 85.03 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.25 1.02 . . . . 0.0 111.294 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.7 m -72.09 -26.03 61.99 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.443 1.097 . . . . 0.0 113.746 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -73.88 -41.25 62.45 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.831 0.852 . . . . 0.0 111.16 170.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.2 mt -59.03 -43.98 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 124.208 1.003 . . . . 0.0 110.125 170.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -60.59 -39.92 89.85 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.182 1.393 . . . . 0.0 113.628 174.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.61 81.81 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.626 -0.671 . . . . 0.0 112.216 175.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.7 mmt -75.39 -38.12 60.12 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.352 -0.843 . . . . 0.0 112.427 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.6 -52.17 60.69 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.862 1.665 . . . . 0.0 110.044 167.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.8 m -62.51 -33.48 74.98 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.008 0.523 . . . . 0.0 111.389 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.9 m -68.94 -33.43 73.71 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 117.325 -1.322 . . . . 0.0 112.683 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -51.81 -45.82 64.02 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 121.598 1.999 . . . . 0.0 111.644 169.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -68.17 -37.65 81.2 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 114.522 -1.217 . . . . 0.0 111.642 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -65.29 -50.91 63.89 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.049 1.34 . . . . 0.0 112.772 176.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.3 mmt-85 -59.17 -20.39 53.39 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.307 172.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -79.25 -38.39 35.67 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.117 0.871 . . . . 0.0 112.049 173.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -64.43 -43.2 95.07 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.276 -0.89 . . . . 0.0 111.159 173.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -69.37 -18.56 63.8 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.363 1.465 . . . . 0.0 114.445 174.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.4 t -102.78 -38.92 7.22 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.267 0.94 . . . . 0.0 113.377 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.2 m -138.21 -5.62 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -172.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 73.66 24.31 74.86 Favored Glycine 0 CA--C 1.539 1.554 0 O-C-N 120.867 -1.145 . . . . 0.0 115.166 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 71.4 m . . . . . 0 C--O 1.25 1.123 0 C-N-CA 125.783 1.633 . . . . 0.0 112.2 -179.895 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -69.12 -12.19 61.46 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -176.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m -49.76 -32.01 12.82 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 127.332 2.253 . . . . 0.0 115.103 172.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -50.17 -35.83 27.79 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.641 1.176 . . . . 0.0 112.682 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -77.59 -12.39 59.96 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -176.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.7 m -90.52 -14.97 31.57 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.007 -1.058 . . . . 0.0 112.487 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -61.17 114.59 11.09 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 125.636 1.575 . . . . 0.0 110.489 -173.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_exo -60.97 139.9 87.26 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.151 1.901 . . . . 0.0 113.081 -171.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 51.3 ttm -61.6 -31.08 71.13 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.157 0.583 . . . . 0.0 112.144 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -60.75 -44.76 96.31 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 169.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -69.93 -40.13 75.7 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.868 0.758 . . . . 0.0 112.105 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -55.45 -54.9 38.03 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 122.887 0.475 . . . . 0.0 111.236 170.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.0 m -58.24 -38.13 76.25 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.901 0.481 . . . . 0.0 112.188 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -67.76 -27.99 67.24 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.359 1.464 . . . . 0.0 113.57 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -77.66 -46.8 20.91 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.835 1.254 . . . . 0.0 112.552 169.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.4 t -56.51 -41.87 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.679 1.192 . . . . 0.0 110.313 173.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.4 72.61 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 119.375 0.989 . . . . 0.0 112.996 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -70.09 -36.4 74.87 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.729 1.212 . . . . 0.0 111.418 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tt -69.25 -47.93 63.28 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.713 2.005 . . . . 0.0 112.335 168.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -44.4 95.43 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.692 1.197 . . . . 0.0 110.405 -174.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.9 m -57.81 -37.05 73.08 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.855 0.862 . . . . 0.0 111.6 175.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -72.41 -41.97 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.8 0.84 . . . . 0.0 111.786 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.5 mt -66.61 -36.63 83.05 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.63 1.104 . . . . 0.0 111.944 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.4 mmt -61.18 -36.12 79.0 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.92 1.288 . . . . 0.0 111.671 170.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -37.23 85.89 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.53 0.732 . . . . 0.0 111.869 171.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 mm -65.7 -43.58 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 121.049 -1.032 . . . . 0.0 109.331 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -65.71 -41.29 92.47 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 122.952 0.501 . . . . 0.0 112.146 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -63.87 -50.79 67.44 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.204 1.002 . . . . 0.0 112.156 173.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 91.2 mt -70.6 -44.12 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.753 0.821 . . . . 0.0 111.218 -174.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -78.93 -21.65 46.95 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.204 -0.935 . . . . 0.0 112.773 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.35 51.11 34.03 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 124.41 1.005 . . . . 0.0 113.532 176.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.67 178.35 53.26 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 159.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -83.5 167.95 16.93 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.148 0.979 . . . . 0.0 112.793 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -65.46 -21.69 66.67 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.503 0.721 . . . . 0.0 112.5 172.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.2 p -68.7 -39.87 80.29 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.163 -1.586 . . . . 0.0 111.808 167.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -63.65 -35.31 80.11 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.251 -0.905 . . . . 0.0 111.344 170.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.88 95.56 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.98 0.912 . . . . 0.0 112.672 174.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -62.6 -39.46 93.8 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 121.134 -0.979 . . . . 0.0 111.845 170.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -59.57 -30.25 68.51 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.753 -1.217 . . . . 0.0 113.681 169.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.0 mmt -72.14 -38.03 69.31 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.759 1.163 . . . . 0.0 112.437 171.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.26 -44.34 83.85 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 118.868 0.758 . . . . 0.0 111.709 169.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.34 -41.6 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.271 1.029 . . . . 0.0 111.702 172.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -39.69 86.32 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.118 0.872 . . . . 0.0 110.155 -178.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.14 -48.78 64.45 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.91 0.884 . . . . 0.0 112.772 177.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.78 -34.73 78.84 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.843 0.857 . . . . 0.0 112.392 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.2 t -68.37 -40.64 81.38 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.278 1.031 . . . . 0.0 112.877 171.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -58.12 -44.13 87.58 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.543 0.737 . . . . 0.0 111.975 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.09 -54.35 36.9 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.444 0.64 . . . . 0.0 111.562 172.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.13 -28.47 65.4 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.516 1.126 . . . . 0.0 113.682 -171.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.95 -42.17 27.56 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.328 1.051 . . . . 0.0 111.44 172.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.1 tp -69.89 -31.83 69.85 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.327 -0.858 . . . . 0.0 112.169 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -64.3 -30.62 71.66 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.196 0.999 . . . . 0.0 113.127 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -60.15 -38.66 83.82 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.288 1.035 . . . . 0.0 111.308 170.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -94.67 -0.49 54.34 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.309 1.844 . . . . 0.0 113.839 -175.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 t -64.15 20.53 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 129.037 2.935 . . . . 0.0 116.145 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.4 m -62.42 -14.29 38.98 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.03 1.332 . . . . 0.0 113.535 -171.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.8 t -134.82 137.48 43.36 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.67 1.588 . . . . 0.0 107.979 157.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.4 tttm -71.09 -29.91 65.89 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.897 0.879 . . . . 0.0 111.704 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -53.47 -45.14 69.48 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.56 0.744 . . . . 0.0 110.823 170.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -72.81 -41.94 64.38 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.504 0.722 . . . . 0.0 112.629 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -58.25 -53.0 63.21 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.991 0.916 . . . . 0.0 110.992 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -64.9 -44.7 88.71 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 122.952 0.501 . . . . 0.0 111.331 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -59.84 -41.37 91.22 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.024 0.929 . . . . 0.0 111.813 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.8 m -72.77 -44.49 61.51 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.37 0.668 . . . . 0.0 111.793 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 38.4 ttm -59.49 -46.65 88.19 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.286 0.494 . . . . 0.0 111.063 174.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -39.36 93.92 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.215 0.461 . . . . 0.0 112.212 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.1 m -71.63 -32.68 68.22 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.286 -0.883 . . . . 0.0 113.333 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -75.49 -38.61 59.41 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 118.81 -0.614 . . . . 0.0 112.384 171.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.4 mt -56.64 -48.3 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 118.944 0.793 . . . . 0.0 110.458 171.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -64.5 -40.45 95.67 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.236 0.925 . . . . 0.0 112.777 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.28 92.09 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.663 -0.648 . . . . 0.0 112.255 176.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.7 mmm -77.06 -32.91 57.15 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.082 -1.011 . . . . 0.0 112.517 177.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -63.82 -37.87 89.0 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.467 1.507 . . . . 0.0 112.13 170.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.1 m -72.35 -26.76 62.04 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.53 0.732 . . . . 0.0 112.826 167.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.9 m -71.93 -29.86 64.73 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 120.749 -1.219 . . . . 0.0 112.765 175.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -49.92 -48.43 51.78 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 120.258 1.39 . . . . 0.0 111.772 170.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -67.2 -33.65 75.82 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 126.184 1.794 . . . . 0.0 111.074 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -65.79 -48.39 71.92 Favored 'General case' 0 CA--C 1.518 -0.283 0 O-C-N 121.177 -0.952 . . . . 0.0 112.046 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 75.3 mmt-85 -60.29 -22.37 63.06 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.527 0.731 . . . . 0.0 112.773 172.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -79.78 -40.83 27.83 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.699 0.799 . . . . 0.0 111.491 173.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -71.67 -33.48 68.89 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.21 1.404 . . . . 0.0 112.585 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -67.7 -28.16 67.43 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.922 1.289 . . . . 0.0 112.405 166.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.5 m -72.36 -38.64 68.49 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 118.55 0.614 . . . . 0.0 111.836 172.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 72.9 t -66.91 -34.52 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.44 1.096 . . . . 0.0 111.418 170.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -83.38 22.33 7.5 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 126.903 2.192 . . . . 0.0 115.272 172.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--O 1.251 1.142 0 CA-C-N 119.646 1.723 . . . . 0.0 112.801 179.306 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.0 p -67.06 3.92 1.01 Allowed 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 p -56.45 -22.15 30.17 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.069 1.747 . . . . 0.0 114.816 169.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -58.29 -17.24 18.12 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 170.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -88.42 -11.05 47.17 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.678 1.591 . . . . 0.0 113.987 176.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -89.04 26.06 1.67 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.279 1.431 . . . . 0.0 112.628 -167.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.62 116.22 47.48 Favored Pre-proline 0 CA--C 1.552 1.022 0 C-N-CA 125.772 1.629 . . . . 0.0 109.837 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -65.97 141.46 64.57 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.408 2.072 . . . . 0.0 113.324 -173.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.4 ptt? -60.34 -30.76 69.73 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.345 -0.847 . . . . 0.0 111.938 171.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -66.7 -33.24 75.19 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.009 0.822 . . . . 0.0 113.14 173.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 73.9 tp60 -69.29 -42.92 74.82 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.337 0.655 . . . . 0.0 110.811 173.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 mtm-85 -59.47 -48.98 79.55 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.256 0.48 . . . . 0.0 110.677 173.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 m -58.01 -33.62 69.14 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 175.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -73.11 -38.08 66.47 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.54 1.136 . . . . 0.0 112.543 176.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -67.02 -43.98 81.45 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.774 0.83 . . . . 0.0 111.009 173.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.41 -40.42 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 124.602 1.161 . . . . 0.0 110.417 170.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.87 85.76 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.719 1.145 . . . . 0.0 113.15 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.11 -47.7 78.99 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.422 1.01 . . . . 0.0 111.513 170.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tt -57.48 -49.93 74.69 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.059 0.944 . . . . 0.0 111.784 176.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -43.83 97.34 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.605 1.562 . . . . 0.0 110.447 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.4 m -64.63 -33.02 74.94 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.17 0.988 . . . . 0.0 112.418 177.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.5 t -74.6 -41.08 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.942 0.897 . . . . 0.0 111.616 172.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.6 mt -65.33 -37.2 86.36 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.911 1.232 . . . . 0.0 112.363 174.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.5 mmt -60.49 -31.67 70.69 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.082 1.353 . . . . 0.0 111.597 168.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.68 -35.19 74.9 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.167 -0.958 . . . . 0.0 112.518 170.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.9 mm -63.76 -42.6 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-N 120.278 1.399 . . . . 0.0 109.459 173.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.54 -43.92 97.99 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.948 0.899 . . . . 0.0 111.667 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -68.22 -29.88 68.82 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.724 1.209 . . . . 0.0 113.954 174.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.6 mt -79.87 -38.03 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.43 1.013 . . . . 0.0 111.374 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -78.54 -21.33 48.94 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 119.256 0.935 . . . . 0.0 113.252 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.25 51.49 9.96 Favored Glycine 0 N--CA 1.469 0.836 0 O-C-N 121.662 -0.649 . . . . 0.0 111.537 -169.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.32 151.36 29.69 Favored Glycine 0 CA--C 1.53 1.002 0 CA-C-O 122.814 1.23 . . . . 0.0 114.6 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.23 158.3 36.12 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.538 1.935 . . . . 0.0 113.705 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.2 t -59.3 -30.24 68.19 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.158 0.983 . . . . 0.0 113.501 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.4 p -76.86 -33.86 57.86 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 121.158 -0.964 . . . . 0.0 112.46 173.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -66.69 -31.32 71.91 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.252 -1.53 . . . . 0.0 111.15 169.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.42 -30.75 69.71 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 121.138 -0.976 . . . . 0.0 112.298 170.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.46 -42.06 92.69 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.941 -1.099 . . . . 0.0 112.535 167.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -60.4 -34.35 73.79 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.556 0.946 . . . . 0.0 113.556 171.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.5 mmt -64.78 -41.15 96.06 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.574 1.079 . . . . 0.0 112.364 174.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -58.31 -43.38 88.1 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.79 0.436 . . . . 0.0 111.164 172.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.38 -41.72 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.187 0.995 . . . . 0.0 112.305 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -65.97 -42.68 89.57 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 119.393 0.997 . . . . 0.0 110.371 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.76 94.6 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.005 0.522 . . . . 0.0 112.359 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -71.2 -37.86 72.09 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.156 0.982 . . . . 0.0 112.142 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 84.1 p -73.64 -35.43 65.28 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.382 0.992 . . . . 0.0 112.913 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -55.11 -52.55 62.9 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.744 0.818 . . . . 0.0 111.86 171.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -40.04 75.87 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.46 -30.9 70.89 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.283 0.947 . . . . 0.0 112.849 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.2 -44.19 22.36 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.101 0.96 . . . . 0.0 111.802 173.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.0 tp -65.38 -29.48 70.2 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 120.651 -1.28 . . . . 0.0 112.275 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -63.24 -32.47 73.88 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.854 1.262 . . . . 0.0 112.484 173.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -72.93 -15.78 61.56 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.627 -1.295 . . . . 0.0 114.235 170.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -97.52 -2.82 41.05 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.16 1.784 . . . . 0.0 114.058 173.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.9 p -66.38 21.1 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 127.879 2.472 . . . . 0.0 116.498 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.8 p -62.05 -15.55 45.5 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 120.551 -1.343 . . . . 0.0 113.162 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.9 m -128.89 142.37 50.98 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.227 2.211 . . . . 0.0 109.716 158.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.6 tttm -63.02 -38.84 92.79 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.794 1.238 . . . . 0.0 111.021 171.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.85 -39.85 86.56 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.343 0.657 . . . . 0.0 112.467 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -72.48 -38.47 68.19 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.082 1.31 . . . . 0.0 112.501 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -60.83 -50.98 71.26 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 117.975 0.352 . . . . 0.0 110.16 171.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.33 -46.95 78.24 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.601 -0.687 . . . . 0.0 112.132 -177.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -69.57 -37.15 76.87 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.781 0.719 . . . . 0.0 111.921 -172.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 m -72.84 -42.05 64.18 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.437 0.695 . . . . 0.0 111.356 176.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -54.33 -52.15 62.45 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.23 1.012 . . . . 0.0 111.244 171.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -66.58 -33.14 75.01 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.9 t -66.62 -45.96 77.41 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.705 0.802 . . . . 0.0 111.601 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -75.58 -32.77 60.48 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 176.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.9 mt -62.86 -45.18 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 119.73 1.15 . . . . 0.0 110.248 169.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.21 -40.03 84.53 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.407 1.003 . . . . 0.0 112.103 172.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.47 -40.34 93.06 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.37 0.986 . . . . 0.0 113.141 177.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.6 mmt -73.72 -39.18 64.5 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 121.282 -0.886 . . . . 0.0 112.407 176.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -67.57 -30.74 70.44 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.262 1.425 . . . . 0.0 111.513 174.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.8 m -69.98 -39.36 75.99 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.772 0.829 . . . . 0.0 111.885 165.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 53.1 m -65.04 -33.53 76.26 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 117.843 -1.075 . . . . 0.0 112.976 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -48.76 -48.36 41.03 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 120.556 1.525 . . . . 0.0 112.896 175.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -69.68 -29.01 66.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.655 -175.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -76.46 -43.4 40.11 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.436 1.094 . . . . 0.0 112.662 173.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -53.99 -23.75 14.37 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.312 1.045 . . . . 0.0 112.989 170.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.65 -22.95 46.09 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 174.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -71.34 -28.64 64.22 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.737 1.615 . . . . 0.0 112.304 173.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.94 -22.97 65.92 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.947 0.899 . . . . 0.0 111.954 169.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.9 m -94.38 -20.09 20.04 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.825 1.25 . . . . 0.0 114.135 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.1 t -141.96 114.51 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.724 1.61 . . . . 0.0 111.16 -171.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -78.21 -8.8 87.37 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 126.182 1.848 . . . . 0.0 116.727 -173.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.6 m . . . . . 0 C--O 1.251 1.141 0 CA-C-N 119.766 1.783 . . . . 0.0 111.869 170.161 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 mmt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 121.055 0.455 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m 66.18 -2.47 0.97 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 117.441 2.386 . . . . 0.0 117.441 165.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.3 p -90.56 -29.36 17.89 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -175.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -14.89 3.83 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 125.473 1.509 . . . . 0.0 114.519 176.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -79.31 -13.11 59.86 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.805 2.042 . . . . 0.0 112.935 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 m -94.29 25.56 3.77 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 128.01 2.524 . . . . 0.0 111.817 -173.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -55.86 129.96 72.2 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 126.025 1.73 . . . . 0.0 111.666 -164.648 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 7' ' ' ILE . 51.7 Cg_exo -62.05 136.61 61.9 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.779 2.986 . . . . 0.0 114.027 -176.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.7 ptm -61.29 -31.14 70.97 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.583 -0.698 . . . . 0.0 112.16 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -62.22 -39.45 92.83 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.387 -0.821 . . . . 0.0 111.795 173.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -71.54 -39.02 70.97 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.551 0.74 . . . . 0.0 111.486 176.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.3 mtm105 -59.4 -44.91 92.74 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 118.45 -0.786 . . . . 0.0 111.197 171.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.9 m -62.2 -35.92 80.35 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.389 0.676 . . . . 0.0 112.644 174.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -70.14 -35.29 73.94 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.006 -1.059 . . . . 0.0 112.297 176.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -71.62 -33.65 69.15 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.44 0.696 . . . . 0.0 112.352 171.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.78 -35.69 66.07 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 124.71 1.204 . . . . 0.0 111.433 167.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.55 -36.52 80.84 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 120.129 1.331 . . . . 0.0 113.081 -176.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -64.31 -44.63 90.98 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.373 1.069 . . . . 0.0 111.899 173.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tt -62.65 -43.4 98.91 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.329 1.451 . . . . 0.0 111.57 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -43.0 93.8 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.174 1.389 . . . . 0.0 110.521 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.1 m -58.26 -38.95 77.94 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.073 0.949 . . . . 0.0 112.534 174.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 t -73.37 -38.98 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.365 1.066 . . . . 0.0 112.138 176.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.9 mt -71.3 -36.82 71.79 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.904 1.229 . . . . 0.0 112.699 176.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.5 mmt -55.52 -42.8 75.03 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.292 1.037 . . . . 0.0 111.136 166.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.46 -36.96 79.5 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.676 0.79 . . . . 0.0 112.701 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.9 mm -60.89 -45.24 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 120.217 1.372 . . . . 0.0 109.261 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -67.94 -38.0 82.29 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.326 0.651 . . . . 0.0 112.144 -174.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -71.82 -48.95 42.74 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.145 0.978 . . . . 0.0 111.817 173.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.34 -48.47 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.741 0.817 . . . . 0.0 111.358 -176.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -93.84 9.27 37.95 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -172.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.64 39.84 77.68 Favored Glycine 0 N--CA 1.471 1.008 0 O-C-N 121.203 -0.935 . . . . 0.0 115.3 173.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.2 152.1 47.91 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 122.106 0.836 . . . . 0.0 113.326 174.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -67.3 157.51 33.76 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.811 1.644 . . . . 0.0 112.152 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -65.78 -22.48 66.58 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.743 -1.223 . . . . 0.0 112.945 173.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.9 p -74.3 -34.63 63.57 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.234 -1.541 . . . . 0.0 112.073 166.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.0 m -63.85 -39.8 95.06 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 120.737 -1.227 . . . . 0.0 110.657 168.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.8 84.73 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.354 1.062 . . . . 0.0 112.371 171.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -65.77 -39.1 90.69 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.002 -1.061 . . . . 0.0 112.34 172.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -66.45 -29.25 69.34 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 120.817 -1.177 . . . . 0.0 113.218 171.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.4 mmt -64.04 -43.47 95.44 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.697 1.135 . . . . 0.0 111.808 168.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -57.57 -45.17 85.53 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 118.967 0.803 . . . . 0.0 111.377 174.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.7 t -61.56 -42.7 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.498 1.119 . . . . 0.0 112.321 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -68.09 -40.73 82.57 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.407 1.083 . . . . 0.0 110.564 -178.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.25 -46.93 81.63 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.528 0.731 . . . . 0.0 111.796 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -71.49 -26.57 62.75 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.779 1.232 . . . . 0.0 112.504 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.5 t -69.9 -32.47 70.81 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.255 1.422 . . . . 0.0 113.101 169.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -71.47 -44.46 64.71 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -176.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.65 -36.11 77.87 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.552 1.069 . . . . 0.0 112.136 173.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.96 -26.0 65.72 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.1 0.96 . . . . 0.0 113.209 178.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.35 -43.02 21.85 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.177 0.991 . . . . 0.0 112.189 167.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.2 tp -71.59 -27.67 63.29 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.484 -0.76 . . . . 0.0 112.761 -175.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -57.21 -32.96 67.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.016 0.926 . . . . 0.0 112.345 173.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -70.57 -17.96 62.91 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -97.43 -7.16 32.29 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.321 1.848 . . . . 0.0 114.091 174.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.9 t -66.41 22.2 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 128.523 2.729 . . . . 0.0 117.743 -167.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.2 p -60.51 -12.89 11.04 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.0 m -140.62 137.97 34.03 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.25 0.932 . . . . 0.0 109.833 158.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -58.13 -33.9 69.65 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.265 0.626 . . . . 0.0 112.138 174.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -63.08 -35.43 80.22 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.684 1.194 . . . . 0.0 111.883 176.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.82 -36.53 50.07 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.277 1.031 . . . . 0.0 112.03 175.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -60.49 -50.16 74.67 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.636 -0.665 . . . . 0.0 110.619 170.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -63.51 -43.53 96.95 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.502 1.121 . . . . 0.0 112.323 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -60.35 -45.24 94.16 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.498 0.719 . . . . 0.0 111.66 172.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.7 m -73.41 -35.38 65.85 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.782 -0.574 . . . . 0.0 111.829 -174.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 67.8 mmm -56.99 -50.8 71.59 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.77 0.714 . . . . 0.0 111.255 167.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -58.46 -43.07 88.71 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.498 1.119 . . . . 0.0 111.733 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 t -64.22 -42.65 96.5 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.962 1.305 . . . . 0.0 113.073 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -43.8 86.78 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.031 0.932 . . . . 0.0 111.317 173.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.89 -38.92 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 124.592 1.157 . . . . 0.0 111.38 176.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -63.01 -42.17 99.75 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.868 1.213 . . . . 0.0 112.063 174.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.2 -35.73 81.76 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 176.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.4 mtt -77.3 -33.08 55.74 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.291 1.036 . . . . 0.0 113.094 175.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 36.9 mtt-85 -59.77 -45.78 91.22 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.54 1.136 . . . . 0.0 110.83 168.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.9 m -57.98 -32.38 67.82 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.954 0.902 . . . . 0.0 112.168 172.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.2 m -69.53 -46.61 66.1 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 117.519 -1.229 . . . . 0.0 112.131 171.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -50.06 -46.21 53.01 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 120.638 1.563 . . . . 0.0 111.155 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -68.21 -35.97 78.79 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.277 1.831 . . . . 0.0 111.843 -174.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -70.68 -51.57 26.84 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.828 0.823 . . . . 0.0 112.218 173.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -56.92 -17.46 9.66 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.193 -1.367 . . . . 0.0 113.003 173.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -75.21 -50.56 15.82 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 118.747 0.703 . . . . 0.0 111.125 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -79.07 -31.88 44.6 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -170.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.56 -16.78 64.37 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 166.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.5 m -92.3 -48.21 6.79 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.614 0.766 . . . . 0.0 111.959 171.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.8 m -141.36 111.26 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 126.5 1.92 . . . . 0.0 110.838 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -85.65 1.21 88.25 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.181 1.372 . . . . 0.0 116.4 -173.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 C--O 1.252 1.217 0 C-N-CA 125.466 1.506 . . . . 0.0 112.144 177.725 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.7 ttp . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -81.15 25.39 0.48 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -156.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m -55.76 -44.09 77.33 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 120.155 1.343 . . . . 0.0 113.379 -173.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -59.74 -34.06 72.46 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.876 1.27 . . . . 0.0 113.014 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -85.97 -1.69 57.57 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 127.208 2.203 . . . . 0.0 113.684 175.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.1 m -125.0 26.58 6.96 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 126.875 2.07 . . . . 0.0 111.548 -171.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -46.86 123.62 7.77 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 127.86 2.464 . . . . 0.0 111.637 176.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -51.14 134.17 42.95 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 124.579 3.519 . . . . 0.0 115.999 -167.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -34.45 55.62 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.287 1.035 . . . . 0.0 113.24 175.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -67.61 -37.9 83.18 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 174.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -70.99 -34.8 71.72 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.686 -1.258 . . . . 0.0 112.082 172.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 71.6 mtm-85 -63.56 -44.26 94.65 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.905 0.775 . . . . 0.0 111.18 172.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.8 m -66.22 -28.69 68.93 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.061 0.944 . . . . 0.0 113.175 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -69.24 -42.72 75.28 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.474 1.11 . . . . 0.0 111.987 171.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -61.59 -43.2 99.3 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.974 0.806 . . . . 0.0 111.79 172.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.7 t -57.64 -35.96 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 124.594 1.157 . . . . 0.0 111.219 174.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.66 74.99 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.494 1.043 . . . . 0.0 113.362 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -65.57 -41.84 92.44 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.469 -0.77 . . . . 0.0 111.674 172.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.95 -46.54 84.22 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.444 1.498 . . . . 0.0 111.69 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -47.24 71.59 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 124.674 1.19 . . . . 0.0 111.534 175.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.9 m -66.55 -30.67 71.03 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.081 0.953 . . . . 0.0 112.132 -177.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.5 t -74.53 -46.06 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 118.564 -0.732 . . . . 0.0 111.306 170.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.426 ' HA ' HG12 ' A' ' 26' ' ' ILE . 38.9 mt -66.52 -33.36 75.51 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.057 1.298 . . . . 0.0 112.874 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 70.5 mmm -59.18 -37.3 77.03 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.014 1.325 . . . . 0.0 111.468 166.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -39.64 93.19 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.214 0.606 . . . . 0.0 111.995 171.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.426 HG12 ' HA ' ' A' ' 23' ' ' LEU . 23.8 mm -62.38 -45.82 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 119.274 0.943 . . . . 0.0 108.823 176.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -65.71 -35.99 82.33 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -71.34 -42.46 68.49 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.329 1.052 . . . . 0.0 112.331 177.183 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.0 mt -68.3 -40.91 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.458 1.103 . . . . 0.0 110.669 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -72.2 -25.81 61.81 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.874 0.869 . . . . 0.0 113.218 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.06 51.05 36.04 Favored Glycine 0 CA--C 1.526 0.777 0 CA-C-N 119.331 0.969 . . . . 0.0 112.533 -173.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.13 -160.74 25.25 Favored Glycine 0 CA--C 1.535 1.328 0 CA-C-O 121.962 0.757 . . . . 0.0 112.974 165.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -117.83 168.25 10.65 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.505 2.322 . . . . 0.0 112.112 -170.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 t -59.54 -28.93 67.53 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.649 1.179 . . . . 0.0 112.49 168.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.9 m -69.22 -40.05 78.21 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.202 1.001 . . . . 0.0 111.676 169.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 m -67.65 -35.57 79.12 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.114 -0.991 . . . . 0.0 111.073 175.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.07 95.24 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.947 0.899 . . . . 0.0 112.077 171.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -62.25 -43.35 99.02 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.181 0.901 . . . . 0.0 112.592 170.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -61.74 -30.79 71.01 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.119 -0.988 . . . . 0.0 113.384 174.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.5 mmt -73.53 -41.12 63.43 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.024 0.93 . . . . 0.0 112.607 169.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -59.14 -42.05 89.72 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.165 1.386 . . . . 0.0 112.201 175.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 t -57.46 -37.04 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 126.061 1.745 . . . . 0.0 112.244 170.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -71.99 -35.24 69.42 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.277 1.031 . . . . 0.0 111.064 -176.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.04 -44.76 60.35 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.013 0.925 . . . . 0.0 112.514 175.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -63.34 -33.0 74.57 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.586 1.155 . . . . 0.0 112.69 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.2 p -78.59 -31.08 47.02 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.259 1.024 . . . . 0.0 113.641 173.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -62.42 -52.15 64.7 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.924 0.89 . . . . 0.0 112.78 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.9 -41.13 77.55 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.848 0.749 . . . . 0.0 111.919 177.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.01 -34.93 73.94 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.969 1.308 . . . . 0.0 114.011 -176.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.38 -40.39 51.15 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.367 0.667 . . . . 0.0 111.169 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.0 tp -70.96 -28.83 64.75 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 122.89 0.476 . . . . 0.0 111.988 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -63.97 -28.36 69.76 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.723 1.609 . . . . 0.0 113.267 172.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -71.94 -40.36 68.79 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.465 -1.397 . . . . 0.0 112.092 166.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -88.18 2.35 52.38 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.458 1.503 . . . . 0.0 115.048 -173.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 85.2 p -62.32 23.6 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 131.035 3.734 . . . . 0.0 118.019 -173.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.7 m -60.37 -20.3 58.98 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.469 -1.395 . . . . 0.0 114.528 -159.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.2 m -136.33 144.05 44.44 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.081 1.352 . . . . 0.0 110.253 154.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -60.87 -32.92 72.34 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.58 1.152 . . . . 0.0 111.38 176.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -55.8 -38.47 70.0 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.74 1.216 . . . . 0.0 112.684 173.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -81.45 -38.84 25.78 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.973 0.909 . . . . 0.0 112.494 174.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -56.67 -50.9 70.75 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.103 0.865 . . . . 0.0 110.567 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -72.79 -30.32 64.0 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.566 -0.709 . . . . 0.0 112.898 -177.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.39 -45.03 92.61 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.181 -0.95 . . . . 0.0 110.827 166.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.2 m -75.94 -39.48 56.04 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.003 0.921 . . . . 0.0 112.904 -174.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -64.71 -41.79 95.74 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.237 1.015 . . . . 0.0 111.635 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -64.96 -49.42 70.37 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.311 1.044 . . . . 0.0 109.83 170.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.9 m -65.79 -26.92 67.91 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.744 1.156 . . . . 0.0 114.12 -174.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -75.26 -43.5 51.08 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.595 1.089 . . . . 0.0 112.231 173.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 23.1 mt -56.37 -37.79 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.035 0.534 . . . . 0.0 110.554 167.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -66.37 -44.12 84.03 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.298 1.039 . . . . 0.0 112.981 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.27 93.37 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.079 0.552 . . . . 0.0 110.914 172.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.2 mtt -68.79 -38.28 79.88 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.527 -0.733 . . . . 0.0 112.824 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.0 mtm105 -60.26 -40.0 88.77 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 120.858 -1.151 . . . . 0.0 111.511 168.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.1 m -67.37 -36.7 81.9 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.91 0.884 . . . . 0.0 111.744 176.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.2 m -66.95 -42.01 85.97 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.663 1.185 . . . . 0.0 112.101 172.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -50.83 -39.94 54.58 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.766 1.626 . . . . 0.0 112.496 172.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.72 -40.19 66.33 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.027 1.331 . . . . 0.0 111.683 176.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -61.77 -49.89 74.54 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 120.566 -1.334 . . . . 0.0 113.513 175.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 72.2 mmt-85 -58.63 -17.53 22.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.914 0.886 . . . . 0.0 112.832 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -77.97 -41.56 35.68 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.301 0.955 . . . . 0.0 112.197 173.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 72.7 mtm-85 -63.78 -41.45 97.94 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.881 0.872 . . . . 0.0 111.517 173.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.07 -15.91 63.06 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 124.745 1.218 . . . . 0.0 112.984 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.4 t -95.42 -48.39 5.88 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 119.673 1.124 . . . . 0.0 112.898 172.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.8 m -140.32 4.02 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 -166.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.87 27.17 68.1 Favored Glycine 0 CA--C 1.541 1.667 0 N-CA-C 116.642 1.417 . . . . 0.0 116.642 170.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.0 p . . . . . 0 C--O 1.252 1.192 0 C-N-CA 125.006 1.322 . . . . 0.0 113.986 -174.339 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 119.665 -0.207 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -88.84 8.46 29.03 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 -177.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -50.42 -28.8 8.85 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.119 2.168 . . . . 0.0 115.503 -173.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -48.92 -31.05 6.64 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.201 1.8 . . . . 0.0 113.589 171.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -78.29 -15.14 59.04 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.345 1.458 . . . . 0.0 112.278 -178.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.1 m -122.8 -9.12 8.37 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.169 1.388 . . . . 0.0 112.519 -161.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.33 118.69 9.7 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 126.775 2.03 . . . . 0.0 111.079 -175.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -58.73 135.82 69.69 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.44 2.76 . . . . 0.0 114.75 -168.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 69.5 mtm -66.04 -20.66 66.25 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 172.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -67.71 -34.77 77.53 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 120.276 1.398 . . . . 0.0 112.842 166.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -71.1 -53.17 15.54 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.135 0.879 . . . . 0.0 110.506 175.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -52.79 -47.95 67.19 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.751 0.705 . . . . 0.0 111.343 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.3 m -62.97 -27.47 69.42 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -73.46 -32.82 64.55 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 120.033 1.288 . . . . 0.0 112.007 171.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -71.36 -48.53 49.53 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.138 0.881 . . . . 0.0 111.31 172.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.7 t -56.05 -34.34 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 126.437 1.895 . . . . 0.0 111.312 173.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.14 -29.5 70.38 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.169 0.895 . . . . 0.0 112.764 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -74.62 -38.28 62.59 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.282 1.433 . . . . 0.0 112.031 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.94 -45.58 94.13 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.19 1.796 . . . . 0.0 110.466 166.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -48.17 81.09 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.166 0.986 . . . . 0.0 112.745 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.9 m -54.44 -37.31 65.01 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.984 0.913 . . . . 0.0 112.354 175.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.1 t -74.22 -42.54 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.161 0.984 . . . . 0.0 111.873 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.3 mt -66.56 -37.21 84.47 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.866 0.757 . . . . 0.0 112.47 175.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.9 mmt -60.89 -33.56 73.3 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.552 1.541 . . . . 0.0 111.706 170.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -34.68 78.67 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.441 -0.787 . . . . 0.0 112.121 174.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 mm -64.49 -36.97 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 O-C-N 121.335 -0.853 . . . . 0.0 110.191 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -61.8 -37.96 86.33 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.796 0.838 . . . . 0.0 111.826 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt -77.86 -30.78 51.09 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.461 1.504 . . . . 0.0 113.593 173.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.0 mt -75.12 -41.22 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.462 1.105 . . . . 0.0 112.192 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -112.98 14.22 19.64 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.012 1.325 . . . . 0.0 113.813 -167.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.3 21.38 75.83 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 121.043 -1.035 . . . . 0.0 115.463 175.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.81 142.74 48.35 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-N 118.109 0.955 . . . . 0.0 112.626 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.15 176.78 8.17 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.687 1.195 . . . . 0.0 113.482 177.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.3 p -62.86 -28.92 70.36 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.0 m -69.5 -40.18 77.15 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.511 1.125 . . . . 0.0 111.177 173.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.9 m -60.09 -41.12 91.79 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.556 0.742 . . . . 0.0 110.659 171.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.39 -34.8 76.68 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 121.392 -0.817 . . . . 0.0 112.717 175.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -63.28 -36.8 84.88 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 120.746 -1.221 . . . . 0.0 112.574 169.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -70.96 -29.39 65.39 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 170.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.6 mmt -62.07 -43.18 99.39 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.282 1.401 . . . . 0.0 111.576 168.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -57.09 -42.13 80.16 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.972 0.509 . . . . 0.0 111.779 171.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.5 t -69.35 -30.15 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 123.787 0.835 . . . . 0.0 112.802 174.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.38 -35.91 76.28 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 120.337 -1.477 . . . . 0.0 110.072 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.11 -48.18 58.67 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.205 1.002 . . . . 0.0 112.467 172.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -65.86 -31.03 71.75 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.348 1.059 . . . . 0.0 113.712 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.8 p -78.55 -24.85 45.42 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.72 1.208 . . . . 0.0 113.139 170.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.401 ' CD1' ' HE2' ' A' ' 68' ' ' LYS . 37.9 t80 -68.11 -45.68 73.04 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.522 1.055 . . . . 0.0 111.879 168.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -52.66 -51.74 58.86 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 121.647 0.737 . . . . 0.0 110.135 171.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.45 -33.82 76.41 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.48 -44.84 61.73 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.572 0.749 . . . . 0.0 111.29 175.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.6 tp -74.17 -28.07 61.12 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.583 1.153 . . . . 0.0 112.475 -175.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -60.63 -32.92 72.05 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.284 1.034 . . . . 0.0 112.394 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -71.5 -29.42 64.79 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.0 -1.063 . . . . 0.0 113.086 171.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -83.75 -3.2 57.61 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.763 1.625 . . . . 0.0 113.156 177.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.5 t -69.06 21.83 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 128.155 2.582 . . . . 0.0 116.408 -167.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.0 m -68.41 1.21 3.18 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -172.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.1 t -146.96 144.62 29.33 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.793 1.237 . . . . 0.0 109.529 152.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -68.04 -38.67 82.77 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.591 0.756 . . . . 0.0 110.932 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -54.44 -41.5 69.47 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.274 1.03 . . . . 0.0 111.125 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -78.57 -36.14 44.88 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.721 0.808 . . . . 0.0 112.794 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -60.03 -52.78 63.91 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.703 1.138 . . . . 0.0 110.596 174.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -71.23 -33.76 70.16 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.577 -0.702 . . . . 0.0 112.65 -176.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.95 -41.21 82.8 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.24 0.616 . . . . 0.0 111.785 171.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.0 m -68.44 -33.62 74.52 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.782 0.719 . . . . 0.0 111.704 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 61.0 tpp -62.03 -45.96 91.28 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.328 0.967 . . . . 0.0 111.692 170.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -62.02 -44.22 97.18 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.998 0.919 . . . . 0.0 111.407 174.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.1 t -60.6 -38.92 86.26 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.787 1.235 . . . . 0.0 112.983 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.401 ' HE2' ' CD1' ' A' ' 47' ' ' PHE . 53.7 tptt -68.06 -46.68 70.39 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.264 1.426 . . . . 0.0 112.151 175.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 57.5 mt -53.46 -49.17 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.428 1.091 . . . . 0.0 109.473 173.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.71 -41.56 95.91 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.61 1.164 . . . . 0.0 113.753 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.67 93.27 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.719 0.808 . . . . 0.0 111.935 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.6 mtt -71.3 -29.55 65.17 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.933 0.893 . . . . 0.0 112.153 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -36.88 85.08 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.701 1.137 . . . . 0.0 111.413 168.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.7 t -64.7 -41.56 95.92 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.869 -0.52 . . . . 0.0 111.903 170.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.2 m -59.73 -47.57 85.14 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.5 0.72 . . . . 0.0 111.388 173.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.05 -42.87 50.59 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 128.043 2.537 . . . . 0.0 114.144 176.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.15 -30.91 58.31 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.382 0.673 . . . . 0.0 112.295 178.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.1 tttt -70.42 -46.05 64.67 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.184 0.994 . . . . 0.0 112.443 175.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -53.58 -27.71 28.03 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.549 1.14 . . . . 0.0 111.924 168.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -77.48 -39.37 46.74 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.517 1.053 . . . . 0.0 112.272 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -64.96 -38.17 90.08 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.166 0.986 . . . . 0.0 112.441 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -75.24 -21.43 58.59 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 124.528 1.131 . . . . 0.0 113.072 173.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t -92.23 -44.0 9.01 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 119.835 1.198 . . . . 0.0 112.982 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.8 t -87.87 -26.46 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.496 1.518 . . . . 0.0 111.711 -177.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.8 -16.59 36.6 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 125.215 1.388 . . . . 0.0 116.378 167.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.1 p . . . . . 0 N--CA 1.48 1.059 0 CA-C-N 119.244 1.522 . . . . 0.0 114.372 177.74 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ttt . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 m -77.18 25.41 0.16 Allowed 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 -169.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -49.55 -34.99 18.96 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 127.493 2.317 . . . . 0.0 114.8 -176.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -55.09 -22.1 15.11 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.812 1.645 . . . . 0.0 113.959 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -89.63 -18.43 26.52 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.404 1.081 . . . . 0.0 113.517 -175.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.5 m -126.35 5.68 6.99 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.642 1.177 . . . . 0.0 112.682 -160.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.442 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -55.94 130.17 72.82 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 126.282 1.833 . . . . 0.0 110.153 176.727 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 7' ' ' ILE . 52.7 Cg_exo -60.61 139.45 85.95 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.411 2.074 . . . . 0.0 114.101 -174.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.1 ptp -64.19 -30.22 71.29 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.925 -0.485 . . . . 0.0 111.567 177.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -66.33 -40.85 90.13 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.68 1.192 . . . . 0.0 111.109 175.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -66.5 -42.15 87.82 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.5 -0.75 . . . . 0.0 111.474 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -61.56 -46.6 89.24 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.874 -0.516 . . . . 0.0 110.982 168.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.4 m -60.92 -35.27 76.27 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -66.3 -35.92 81.63 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.468 1.031 . . . . 0.0 112.561 173.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -71.9 -38.66 69.92 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.458 0.703 . . . . 0.0 112.086 174.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.63 -43.32 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.692 0.797 . . . . 0.0 110.736 171.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.03 -35.69 81.25 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.338 0.972 . . . . 0.0 112.599 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -64.66 -45.62 85.97 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.173 1.389 . . . . 0.0 111.459 174.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tt -60.71 -52.6 64.41 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.958 1.703 . . . . 0.0 112.221 172.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.83 -48.41 72.87 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.76 1.624 . . . . 0.0 110.081 -178.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.6 m -63.92 -31.34 72.48 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.508 0.723 . . . . 0.0 112.505 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.9 t -72.86 -40.84 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.111 -0.993 . . . . 0.0 111.75 173.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.2 mt -63.56 -36.95 85.5 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.561 1.073 . . . . 0.0 111.485 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 22.1 mmt -61.23 -26.22 67.6 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.018 1.327 . . . . 0.0 112.969 171.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -67.48 -39.93 85.27 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 120.129 1.331 . . . . 0.0 110.834 171.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.5 mm -64.45 -40.99 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 121.003 -1.06 . . . . 0.0 109.904 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -60.49 -36.44 78.31 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.223 1.009 . . . . 0.0 112.524 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -69.52 -51.6 34.18 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.406 1.083 . . . . 0.0 112.023 169.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 55.9 mt -54.32 -47.35 69.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.139 1.376 . . . . 0.0 111.679 -177.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -95.88 8.68 42.94 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -177.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 67.28 20.26 71.18 Favored Glycine 0 N--CA 1.471 1.018 0 O-C-N 121.076 -1.015 . . . . 0.0 115.154 174.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.7 137.4 48.63 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.461 1.029 . . . . 0.0 112.349 -174.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -60.27 160.55 8.29 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.251 1.021 . . . . 0.0 113.081 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.4 p -60.17 -34.03 73.02 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.471 -1.393 . . . . 0.0 114.133 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.1 m -68.42 -34.73 76.51 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.089 -1.007 . . . . 0.0 110.891 171.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.3 m -64.98 -31.94 73.43 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.759 -1.213 . . . . 0.0 111.358 171.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.97 -35.77 77.11 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.224 -0.923 . . . . 0.0 111.98 170.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -65.54 -38.97 91.17 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.698 -1.251 . . . . 0.0 112.611 169.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -57.37 -30.69 65.09 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.742 -1.224 . . . . 0.0 112.729 168.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.3 mmt -73.72 -39.56 64.2 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.619 1.1 . . . . 0.0 112.805 170.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -54.02 -44.82 71.29 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 119.386 0.994 . . . . 0.0 111.111 170.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.5 t -64.14 -39.22 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.256 1.422 . . . . 0.0 112.467 174.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.56 -39.03 88.3 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.942 -1.099 . . . . 0.0 110.182 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.8 -49.69 56.48 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.698 0.799 . . . . 0.0 112.694 177.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -64.7 -39.14 93.14 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.889 0.876 . . . . 0.0 112.265 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.3 p -73.0 -36.44 67.03 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 176.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -54.04 -50.27 67.06 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.338 0.972 . . . . 0.0 111.632 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . 0.266 0.5 OUTLIER -71.71 -35.6 70.28 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -178.079 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.33 98.3 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.59 0.632 . . . . 0.0 112.118 177.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.07 -36.68 77.91 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.615 0.766 . . . . 0.0 111.606 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.9 tp -72.74 -32.16 65.47 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.165 0.986 . . . . 0.0 112.63 176.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -63.25 -30.54 71.66 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.714 1.206 . . . . 0.0 111.819 174.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -71.47 -32.93 68.84 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 120.817 -1.177 . . . . 0.0 113.297 168.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -81.33 -4.25 55.09 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.319 1.448 . . . . 0.0 114.437 174.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.6 p -66.62 22.48 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 117.333 2.346 . . . . 0.0 117.333 -173.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.2 m -60.4 -8.11 2.48 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.036 1.334 . . . . 0.0 114.123 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.0 p -134.7 150.66 50.63 Favored 'General case' 0 C--O 1.238 0.484 0 O-C-N 121.488 -0.757 . . . . 0.0 111.246 143.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -57.61 -37.09 72.68 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.143 0.977 . . . . 0.0 110.722 169.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -65.38 -28.01 68.97 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -80.12 -38.92 30.55 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 120.296 1.407 . . . . 0.0 112.706 170.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -60.56 -50.89 71.73 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.036 0.834 . . . . 0.0 110.204 174.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -65.58 -41.92 92.33 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.251 -0.88 . . . . 0.0 112.963 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -63.11 -47.03 84.58 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.279 0.945 . . . . 0.0 111.806 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.6 m -70.87 -39.06 73.07 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.503 0.592 . . . . 0.0 111.153 -176.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 63.2 tpp -56.7 -52.58 64.38 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.284 0.633 . . . . 0.0 110.697 172.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -61.82 -43.65 98.42 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.083 0.553 . . . . 0.0 111.305 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.3 m -71.92 -33.92 68.66 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 121.313 -0.867 . . . . 0.0 113.282 -174.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -74.93 -38.27 61.81 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 118.785 0.72 . . . . 0.0 111.967 172.188 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 59.0 mt -58.78 -47.33 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 118.736 0.698 . . . . 0.0 110.32 170.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -66.93 -34.68 78.3 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.543 1.065 . . . . 0.0 112.793 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.59 -40.23 96.23 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.097 0.862 . . . . 0.0 112.004 171.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.8 mmt -72.77 -38.77 67.19 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 120.944 -1.098 . . . . 0.0 112.337 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.0 mtt-85 -57.74 -44.68 86.24 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.477 1.111 . . . . 0.0 111.412 169.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.1 m -72.59 -22.22 61.01 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.3 1.04 . . . . 0.0 113.12 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.4 m -68.24 -43.3 78.22 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.391 168.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.5 mtm180 -52.98 -39.54 63.11 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 120.476 1.489 . . . . 0.0 112.97 173.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.44 -35.68 75.91 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.763 1.225 . . . . 0.0 111.361 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.6 tttm -78.27 -46.75 19.44 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 174.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.2 mmt85 -53.88 -23.14 11.63 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.138 0.975 . . . . 0.0 112.352 171.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -73.11 -40.78 64.68 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.219 0.918 . . . . 0.0 111.559 174.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.27 -24.62 24.29 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.187 1.395 . . . . 0.0 114.494 -178.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.81 -34.3 77.84 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.524 0.729 . . . . 0.0 110.597 162.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.4 m -88.41 -13.5 40.35 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.6 t 55.99 87.06 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 128.323 2.649 . . . . 0.0 113.777 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -89.64 10.64 72.86 Favored Glycine 0 CA--C 1.541 1.66 0 C-N-CA 125.093 1.33 . . . . 0.0 114.527 168.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 C--O 1.251 1.172 0 C-N-CA 126.684 1.994 . . . . 0.0 113.965 -165.557 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.0 ttp . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m 50.44 34.56 9.44 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 116.752 2.13 . . . . 0.0 116.752 172.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -56.91 -44.02 81.95 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 120.347 -1.471 . . . . 0.0 113.081 -178.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 tmmt? -62.29 -33.06 73.92 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.941 0.896 . . . . 0.0 111.994 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -83.92 -7.62 59.38 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.725 1.21 . . . . 0.0 112.734 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.9 m -106.79 -10.67 15.99 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.064 1.745 . . . . 0.0 112.598 177.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.438 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -60.28 115.47 13.45 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 125.664 1.586 . . . . 0.0 111.195 -168.015 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 7' ' ' ILE . 50.5 Cg_exo -60.13 145.82 97.6 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.078 2.519 . . . . 0.0 113.897 -172.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.5 ttt -61.5 -30.45 70.63 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 122.896 0.479 . . . . 0.0 111.067 170.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -59.91 -44.51 94.25 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.576 -0.703 . . . . 0.0 111.921 173.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -70.34 -40.06 74.34 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.383 -0.823 . . . . 0.0 111.86 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -61.81 -51.05 69.84 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.22 1.008 . . . . 0.0 111.807 173.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.3 m -62.66 -30.2 71.2 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.837 0.855 . . . . 0.0 112.58 175.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -69.8 -39.79 76.37 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.144 0.884 . . . . 0.0 112.15 170.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -31.59 70.77 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.619 1.1 . . . . 0.0 111.336 175.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.2 t -64.75 -42.42 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-O 117.578 -1.201 . . . . 0.0 111.007 167.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.86 -36.05 78.17 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 121.247 1.84 . . . . 0.0 113.232 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -62.82 -38.53 91.07 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.93 1.292 . . . . 0.0 112.73 173.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tt -73.88 -44.79 54.24 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.106 1.763 . . . . 0.0 111.981 173.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.24 -46.87 79.4 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 126.622 1.969 . . . . 0.0 109.712 -178.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.2 m -63.11 -32.63 74.05 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.999 0.92 . . . . 0.0 112.683 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 36.0 t -74.08 -43.07 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.706 0.802 . . . . 0.0 111.565 174.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.4 mt -66.89 -35.68 80.56 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.432 1.015 . . . . 0.0 112.174 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.2 mmt -62.43 -32.94 73.88 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.947 0.899 . . . . 0.0 112.117 169.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -37.56 87.83 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.913 0.779 . . . . 0.0 111.87 173.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.5 mm -57.8 -46.31 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 173.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -70.23 -36.23 74.37 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -175.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -73.82 -28.11 61.45 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.571 1.548 . . . . 0.0 113.883 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.2 mt -75.68 -47.92 31.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.738 0.815 . . . . 0.0 110.323 171.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -75.93 -13.96 60.25 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.151 1.38 . . . . 0.0 114.123 -174.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.32 28.5 73.64 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 120.879 -1.138 . . . . 0.0 113.21 -172.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.6 142.55 46.98 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 117.952 0.876 . . . . 0.0 111.631 178.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -57.13 162.27 2.68 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.877 1.671 . . . . 0.0 113.841 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 97.1 p -51.55 -36.09 43.64 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.557 1.143 . . . . 0.0 112.549 169.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.5 m -62.55 -38.94 91.99 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.356 1.062 . . . . 0.0 111.477 174.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 m -72.53 -37.79 68.21 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.985 1.314 . . . . 0.0 112.342 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.7 87.65 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 118.949 0.795 . . . . 0.0 111.349 171.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -63.37 -35.81 81.63 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.314 -0.866 . . . . 0.0 113.046 170.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -65.43 -35.16 80.09 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.676 1.125 . . . . 0.0 113.582 167.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.5 mmt -63.24 -40.3 97.05 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 120.395 1.452 . . . . 0.0 111.4 173.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -58.93 -46.95 86.72 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.084 0.554 . . . . 0.0 111.992 170.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.95 -39.45 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 123.917 0.887 . . . . 0.0 112.178 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.37 -36.66 81.8 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.552 1.141 . . . . 0.0 110.28 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.23 -45.62 54.98 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.462 0.705 . . . . 0.0 112.857 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -67.4 -28.13 67.66 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.068 1.347 . . . . 0.0 112.303 173.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.6 t -66.68 -39.18 88.03 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 123.365 0.666 . . . . 0.0 111.136 166.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -63.11 -39.98 96.29 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.922 1.237 . . . . 0.0 113.816 -175.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -66.3 -40.75 90.2 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.597 1.089 . . . . 0.0 112.577 172.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.0 -40.06 78.96 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.413 -0.805 . . . . 0.0 112.391 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.13 -33.86 77.03 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 125.398 1.479 . . . . 0.0 111.783 175.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 tp -78.83 -37.58 40.2 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 118.949 -0.548 . . . . 0.0 111.631 174.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -55.72 -31.91 62.9 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.996 1.318 . . . . 0.0 112.444 171.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -68.83 -24.87 64.42 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 124.784 1.234 . . . . 0.0 113.471 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -119.46 10.27 11.81 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 126.357 1.863 . . . . 0.0 115.853 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.3 t -59.78 26.61 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 130.809 3.644 . . . . 0.0 118.015 -173.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 80.4 p -57.66 -1.07 0.08 Allowed 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 117.319 2.34 . . . . 0.0 117.319 -169.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 t -160.37 151.57 19.23 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.888 1.675 . . . . 0.0 110.803 161.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -61.64 -41.31 97.32 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 121.234 -0.916 . . . . 0.0 112.299 178.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -55.58 -43.46 76.0 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.002 0.365 . . . . 0.0 111.189 176.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -67.68 -40.91 84.37 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -60.1 -51.0 71.5 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 121.428 0.632 . . . . 0.0 110.019 174.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -65.8 -41.58 91.74 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 120.762 -1.211 . . . . 0.0 112.894 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -74.28 -38.15 63.5 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.346 1.058 . . . . 0.0 112.844 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.5 m -68.92 -42.42 76.81 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.022 0.828 . . . . 0.0 111.395 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.7 ttt -64.84 -39.93 94.36 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.698 0.681 . . . . 0.0 111.368 177.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.8 tmtp? -65.21 -39.24 92.52 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.304 0.642 . . . . 0.0 112.003 172.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.2 t -58.99 -45.76 89.83 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.54 1.136 . . . . 0.0 111.894 175.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -75.51 -36.69 60.48 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 117.775 -1.107 . . . . 0.0 113.501 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.06 -41.93 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 120.378 1.444 . . . . 0.0 110.426 171.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -61.73 -36.04 79.82 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.827 1.251 . . . . 0.0 112.79 175.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.33 -41.72 63.14 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.488 0.715 . . . . 0.0 112.287 172.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.2 mtt -67.93 -29.51 68.6 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.732 -1.23 . . . . 0.0 112.046 177.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -61.08 -39.83 91.38 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.236 1.014 . . . . 0.0 111.093 165.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.3 m -63.88 -42.33 97.52 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.25 0.932 . . . . 0.0 111.663 171.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.4 m -62.51 -47.95 81.67 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.827 0.851 . . . . 0.0 111.33 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -50.23 -48.65 54.4 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.794 2.038 . . . . 0.0 111.786 169.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -64.74 -37.21 86.83 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.627 0.771 . . . . 0.0 109.73 -175.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -67.86 -45.42 74.63 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.15 1.38 . . . . 0.0 113.242 174.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -54.23 -28.67 42.72 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 118.556 -0.735 . . . . 0.0 111.702 169.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -76.07 -38.51 56.96 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 119.95 1.25 . . . . 0.0 111.069 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -65.39 -27.46 68.57 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.804 1.642 . . . . 0.0 112.962 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -85.89 -18.4 32.87 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.271 1.428 . . . . 0.0 113.393 170.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.0 t -86.41 -33.84 20.34 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.773 0.829 . . . . 0.0 112.797 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.8 m -104.24 15.68 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 123.817 0.847 . . . . 0.0 113.181 167.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.1 13.69 49.86 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 126.698 2.094 . . . . 0.0 117.412 164.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.9 m . . . . . 0 C--O 1.248 1.003 0 C-N-CA 126.196 1.798 . . . . 0.0 111.921 -175.16 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.7 mtm . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.343 0.116 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.0 p -53.05 -29.12 28.16 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.535 1.934 . . . . 0.0 114.114 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 m -59.03 -31.38 68.79 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.841 1.656 . . . . 0.0 113.629 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -62.19 -36.03 80.67 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.71 1.204 . . . . 0.0 111.85 173.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -92.69 -24.55 18.59 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.769 2.028 . . . . 0.0 113.99 -173.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.21 23.84 6.96 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.525 1.13 . . . . 0.0 112.344 -160.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -45.48 123.77 5.8 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 129.369 3.068 . . . . 0.0 113.155 -172.416 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 7' ' ' ILE . 38.8 Cg_exo -68.46 141.7 51.78 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.213 2.609 . . . . 0.0 114.535 -177.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -59.09 -29.23 67.2 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.009 0.924 . . . . 0.0 112.745 173.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -64.79 -38.68 91.82 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.588 -0.695 . . . . 0.0 111.693 175.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -70.4 -37.14 74.44 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.94 -0.475 . . . . 0.0 110.776 175.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.9 mtm-85 -57.96 -46.74 84.63 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.596 -0.69 . . . . 0.0 110.96 170.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.0 m -64.72 -34.4 78.23 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.045 0.938 . . . . 0.0 112.812 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -63.46 -35.82 81.7 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.209 1.368 . . . . 0.0 112.45 170.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -70.26 -42.56 71.99 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.568 0.747 . . . . 0.0 111.169 172.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.45 -42.13 94.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 124.51 1.124 . . . . 0.0 110.971 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.31 -34.35 72.22 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.244 1.018 . . . . 0.0 112.912 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -72.94 -36.7 67.25 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.078 1.351 . . . . 0.0 112.158 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 tt -66.12 -48.02 72.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.304 1.842 . . . . 0.0 112.001 167.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.58 -46.21 87.41 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.502 1.521 . . . . 0.0 110.398 -177.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 84.8 m -61.25 -30.37 70.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.16 1.384 . . . . 0.0 112.911 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.4 t -75.18 -44.27 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 O-C-N 120.534 -1.354 . . . . 0.0 112.019 171.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.3 mt -64.0 -36.32 83.6 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.699 1.136 . . . . 0.0 111.992 176.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 20.3 mmt -61.81 -28.83 69.75 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.613 1.565 . . . . 0.0 113.006 170.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -35.09 66.02 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.656 0.782 . . . . 0.0 111.897 173.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.8 mm -61.85 -40.76 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 O-C-N 121.126 -0.984 . . . . 0.0 109.457 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -61.21 -29.81 70.05 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.507 0.723 . . . . 0.0 112.217 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -76.58 -51.89 10.78 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.512 1.125 . . . . 0.0 112.308 168.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.4 mt -57.02 -41.2 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.53 1.132 . . . . 0.0 112.584 -174.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -92.18 -4.75 53.74 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.139 1.376 . . . . 0.0 114.691 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.5 35.06 80.62 Favored Glycine 0 N--CA 1.476 1.35 0 CA-C-N 119.421 1.009 . . . . 0.0 115.179 -177.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.57 162.9 47.13 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-O 123.502 1.612 . . . . 0.0 114.762 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.71 165.87 12.74 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.812 2.445 . . . . 0.0 114.013 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.3 t -59.62 -35.47 74.44 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.941 1.696 . . . . 0.0 113.868 173.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.7 p -64.91 -44.41 89.66 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 120.828 -1.17 . . . . 0.0 111.966 175.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.5 m -64.76 -32.87 74.75 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.65 1.18 . . . . 0.0 111.834 173.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.9 -37.28 72.98 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.32 1.048 . . . . 0.0 113.263 172.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -59.47 -34.33 72.43 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.595 -1.315 . . . . 0.0 112.504 169.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -75.22 -27.43 59.55 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.547 1.539 . . . . 0.0 113.482 171.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.4 mmt -68.47 -40.52 80.98 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.561 1.073 . . . . 0.0 112.401 166.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -54.34 -42.56 70.35 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.672 0.789 . . . . 0.0 112.01 170.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.0 t -65.06 -35.56 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.001 0.92 . . . . 0.0 112.801 174.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -64.86 -45.69 85.02 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.145 1.339 . . . . 0.0 109.808 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.82 86.92 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.08 -47.01 84.73 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.155 0.982 . . . . 0.0 112.561 175.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -66.99 -27.26 67.29 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 118.412 -0.804 . . . . 0.0 112.997 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -69.37 -48.9 59.83 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.338 -0.839 . . . . 0.0 112.984 173.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . 0.296 0.7 OUTLIER -65.25 -29.35 70.12 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 120.725 1.602 . . . . 0.0 112.668 174.477 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.69 -27.89 64.35 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 173.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.2 -45.37 40.92 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.148 0.885 . . . . 0.0 111.603 171.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.3 tp -71.17 -32.34 68.77 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.147 0.979 . . . . 0.0 112.01 -175.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -56.5 -37.75 70.83 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.862 0.865 . . . . 0.0 112.965 176.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -71.42 -12.91 61.65 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -119.79 10.34 11.6 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 127.221 2.208 . . . . 0.0 114.264 173.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.1 t -67.34 23.55 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 129.139 2.976 . . . . 0.0 116.005 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 m -65.07 -8.0 14.56 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.735 1.614 . . . . 0.0 114.276 -166.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.7 t -137.63 143.86 41.64 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 125.586 1.554 . . . . 0.0 110.278 158.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.5 tttm -58.23 -39.07 78.13 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.563 0.745 . . . . 0.0 111.374 170.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -59.23 -45.82 90.13 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 118.437 0.562 . . . . 0.0 111.441 177.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -69.14 -40.87 77.97 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.529 0.731 . . . . 0.0 112.172 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -58.43 -52.29 66.24 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.744 0.702 . . . . 0.0 110.451 173.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -69.98 -36.45 75.19 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.321 -0.862 . . . . 0.0 112.394 -177.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -67.07 -35.6 80.18 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.338 0.972 . . . . 0.0 111.794 174.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.8 m -76.3 -37.62 57.22 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.513 0.597 . . . . 0.0 112.098 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 94.3 mmm -59.17 -49.05 79.33 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.557 -0.715 . . . . 0.0 110.119 169.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -56.04 -43.51 77.9 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.75 0.82 . . . . 0.0 111.316 172.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.2 t -56.77 -45.28 82.21 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.676 1.191 . . . . 0.0 113.393 176.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -73.97 -38.53 64.16 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.466 -0.772 . . . . 0.0 112.074 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.29 -43.04 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.78 0.832 . . . . 0.0 110.826 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.58 -32.82 66.3 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.932 1.242 . . . . 0.0 112.816 -178.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.16 -46.91 86.86 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.889 -0.507 . . . . 0.0 111.068 167.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 17.8 mmt -68.1 -32.53 72.9 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 175.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.4 ttm-85 -66.21 -39.25 89.48 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.375 1.47 . . . . 0.0 111.257 173.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.1 m -64.17 -45.54 87.95 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.969 0.908 . . . . 0.0 111.134 171.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.9 m -65.64 -37.72 87.34 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.723 1.209 . . . . 0.0 112.58 177.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -58.68 -38.85 79.11 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.372 1.869 . . . . 0.0 111.833 174.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.14 -33.17 61.51 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.686 0.794 . . . . 0.0 111.604 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -63.24 -50.35 70.55 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.377 -0.827 . . . . 0.0 111.464 172.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -56.3 -24.47 43.46 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.936 1.294 . . . . 0.0 112.571 168.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -78.58 -46.65 18.89 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.929 1.24 . . . . 0.0 111.58 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -79.46 -20.32 47.69 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.11 1.364 . . . . 0.0 114.308 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -87.17 -1.36 57.84 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.374 1.47 . . . . 0.0 112.833 164.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.2 m -96.33 -48.57 5.55 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.177 -0.952 . . . . 0.0 111.555 166.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 76.7 t -143.28 126.18 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.308 1.443 . . . . 0.0 109.275 166.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.2 -14.52 4.02 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.961 1.267 . . . . 0.0 114.125 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 C--O 1.255 1.378 0 C-N-CA 125.711 1.604 . . . . 0.0 111.679 179.71 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.9 ttm . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 118.854 -0.593 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -112.66 23.87 13.05 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -171.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 m -50.56 -39.12 48.48 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 120.236 -1.54 . . . . 0.0 114.777 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -67.75 -26.38 66.1 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 178.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -92.28 -14.19 29.23 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.907 2.083 . . . . 0.0 112.48 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.2 m -106.82 25.68 10.99 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.427 1.891 . . . . 0.0 111.198 -168.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.19 130.59 74.69 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 127.427 2.291 . . . . 0.0 111.53 -174.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -53.73 131.51 44.44 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.273 2.649 . . . . 0.0 113.743 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.8 ptp -66.53 -27.1 67.49 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.776 -0.578 . . . . 0.0 112.11 176.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -63.45 -40.77 98.01 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.702 -0.624 . . . . 0.0 112.117 169.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.0 tp-100 -67.7 -40.16 84.35 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.348 -0.845 . . . . 0.0 111.218 177.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 mtm-85 -59.04 -51.32 70.55 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 118.93 0.786 . . . . 0.0 110.494 172.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.2 m -59.48 -31.19 69.12 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -74.72 -34.18 62.54 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.271 1.028 . . . . 0.0 113.242 174.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -70.02 -44.04 70.1 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.36 -0.838 . . . . 0.0 111.188 172.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.0 t -58.0 -37.43 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.573 1.549 . . . . 0.0 110.958 170.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.61 -25.28 64.78 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 119.995 1.271 . . . . 0.0 113.322 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -71.04 -45.14 64.4 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.128 -0.982 . . . . 0.0 110.084 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 tt -57.03 -46.37 82.43 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.863 1.265 . . . . 0.0 111.76 168.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -43.26 91.59 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.27 1.428 . . . . 0.0 111.558 177.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.7 m -63.74 -30.04 71.19 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.678 1.191 . . . . 0.0 112.475 177.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.3 t -75.18 -41.8 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.231 1.013 . . . . 0.0 112.261 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.38 -35.09 77.18 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.828 1.195 . . . . 0.0 112.759 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 10.2 mmt -53.44 -39.98 64.84 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.057 1.743 . . . . 0.0 111.253 165.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -39.17 89.38 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.827 0.451 . . . . 0.0 111.718 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mm -64.19 -40.35 88.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 118.794 0.725 . . . . 0.0 109.898 174.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -64.18 -42.49 96.67 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 122.932 0.493 . . . . 0.0 111.059 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -69.07 -40.72 78.3 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.231 -0.918 . . . . 0.0 112.76 172.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.3 mt -59.73 -41.26 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.923 0.889 . . . . 0.0 111.61 176.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -78.78 -26.36 44.46 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 173.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.55 43.74 35.66 Favored Glycine 0 N--CA 1.47 0.924 0 CA-C-N 119.256 0.935 . . . . 0.0 112.562 -164.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.49 146.4 49.71 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.999 1.285 . . . . 0.0 113.642 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.13 156.2 32.41 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.628 1.971 . . . . 0.0 112.66 174.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.6 t -64.6 -20.35 66.21 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.681 -1.262 . . . . 0.0 113.55 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.2 p -68.52 -41.39 80.01 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 120.559 -1.338 . . . . 0.0 111.92 167.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.4 m -67.58 -38.78 84.55 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.261 1.424 . . . . 0.0 111.024 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.36 -44.64 92.67 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.565 0.746 . . . . 0.0 111.487 170.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -63.73 -33.66 76.14 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.918 -1.114 . . . . 0.0 113.565 174.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -77.72 -29.73 51.4 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -29.53 57.74 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.612 1.551 . . . . 0.0 112.351 171.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -56.35 -42.47 77.8 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 120.941 -1.1 . . . . 0.0 112.125 166.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.2 t -65.62 -29.7 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 125.215 1.406 . . . . 0.0 113.098 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -71.27 -39.86 71.3 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.895 1.278 . . . . 0.0 110.392 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.0 83.73 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.08 0.552 . . . . 0.0 111.982 171.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -60.57 -36.68 79.11 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.811 0.844 . . . . 0.0 112.921 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 t -68.27 -39.11 82.29 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.524 0.73 . . . . 0.0 112.063 174.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -64.64 -45.48 86.63 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.046 0.839 . . . . 0.0 112.057 173.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.74 -56.26 21.2 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 126.219 1.807 . . . . 0.0 111.73 178.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.96 -31.69 72.97 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.372 1.469 . . . . 0.0 113.556 -177.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.62 -36.92 60.11 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.012 0.525 . . . . 0.0 111.323 175.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.3 tp -76.12 -37.99 57.39 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.517 0.727 . . . . 0.0 112.347 178.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -58.76 -24.53 61.81 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.935 1.294 . . . . 0.0 112.435 171.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -69.95 -21.7 63.24 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.086 -1.634 . . . . 0.0 114.485 172.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.97 11.69 11.82 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 116.098 1.888 . . . . 0.0 116.098 176.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.4 p -69.3 19.26 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 118.088 2.625 . . . . 0.0 118.088 -174.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.4 p -64.46 -6.95 8.31 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 -167.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.4 m -128.63 136.44 50.68 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.053 0.941 . . . . 0.0 109.493 152.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.3 tttm -57.24 -36.12 70.55 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.944 1.298 . . . . 0.0 111.67 176.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.56 -39.13 72.94 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.584 0.753 . . . . 0.0 112.73 175.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -77.69 -39.92 43.2 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.475 1.034 . . . . 0.0 112.165 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -58.24 -47.51 83.32 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.538 0.608 . . . . 0.0 110.45 171.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -63.26 -48.97 75.96 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.533 -0.729 . . . . 0.0 111.659 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -61.43 -38.64 87.88 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.681 1.128 . . . . 0.0 113.133 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.2 m -73.66 -40.74 63.48 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.71 -0.619 . . . . 0.0 111.13 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.2 mmt -56.43 -50.01 72.89 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 119.014 -0.517 . . . . 0.0 110.697 168.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -48.03 78.43 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.304 1.041 . . . . 0.0 111.266 177.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.3 m -60.37 -45.75 92.42 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.692 1.197 . . . . 0.0 112.696 -178.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -75.25 -36.51 61.25 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.504 0.722 . . . . 0.0 112.714 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.4 mt -59.61 -44.93 94.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 119.008 0.822 . . . . 0.0 109.935 170.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.59 -37.61 88.15 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.795 1.179 . . . . 0.0 113.166 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.53 91.33 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.694 -0.629 . . . . 0.0 111.757 170.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.6 mmt -75.09 -36.39 61.73 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 120.816 -1.177 . . . . 0.0 113.343 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -57.04 -48.66 77.98 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.703 1.201 . . . . 0.0 110.341 167.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.6 m -60.46 -35.44 75.88 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.597 0.759 . . . . 0.0 111.829 173.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.4 m -68.52 -32.09 71.79 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 117.362 -1.304 . . . . 0.0 112.349 176.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -49.96 -47.33 52.66 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 121.246 1.839 . . . . 0.0 111.909 171.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.18 -41.65 76.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 113.879 -1.51 . . . . 0.0 110.807 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -63.86 -51.62 63.8 Favored 'General case' 0 CA--C 1.511 -0.531 0 O-C-N 121.823 -0.548 . . . . 0.0 112.063 175.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 50.5 mmt-85 -60.14 -20.38 58.17 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.101 0.96 . . . . 0.0 112.233 173.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -80.03 -43.79 21.27 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 119.635 1.107 . . . . 0.0 111.396 174.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -71.05 -27.77 63.89 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.888 1.275 . . . . 0.0 113.058 176.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.9 -18.31 62.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.676 1.991 . . . . 0.0 113.229 164.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 71.4 m -98.74 -8.39 26.12 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 40.3 t 65.22 -21.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 N-CA-C 117.616 2.45 . . . . 0.0 117.616 162.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.98 -7.09 14.76 Favored Glycine 0 CA--C 1.539 1.536 0 N-CA-C 117.081 1.592 . . . . 0.0 117.081 -173.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.253 1.269 0 C-N-CA 127.832 2.453 . . . . 0.0 115.731 162.117 . . . . . . . . 0 0 . 1 stop_ save_