data_2k2d_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 2k2d _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.451 -0.403 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 p -100.81 125.69 47.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.87 175.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.1 m -115.04 143.84 23.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.27 172.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -94.19 122.16 36.44 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.6 pt -115.51 146.66 19.64 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 O-C-N 123.387 0.429 . . . . 0.0 110.975 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.462 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -110.38 150.07 29.34 Favored 'General case' 0 C--O 1.211 -0.973 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.846 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.521 ' HA ' HG23 ' A' ' 66' ' ' THR . 1.9 t -94.28 147.74 22.9 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 120.901 0.382 . . . . 0.0 111.008 -175.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -89.74 -29.34 18.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.144 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -97.83 -42.52 7.54 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -176.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.3 p -103.48 -3.04 25.9 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 119.789 -0.764 . . . . 0.0 111.751 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 55.9 31.34 17.63 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 174.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -117.02 148.59 18.85 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.462 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 23.6 ptt180 -104.02 143.9 32.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.831 0.824 . . . . 0.0 112.105 -175.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.6 m -129.37 124.27 33.83 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 114.073 -1.421 . . . . 0.0 109.411 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.2 m -87.47 107.35 18.52 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 172.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 m -126.93 175.21 9.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 114.486 -1.234 . . . . 0.0 108.308 -176.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -74.05 157.45 36.06 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.842 171.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -77.63 110.48 12.48 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 173.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -122.33 112.02 17.61 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.706 -1.134 . . . . 0.0 108.374 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.5 mt -68.63 -30.23 46.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.054 -175.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.2 mt -81.91 -0.03 41.95 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.65 118.71 1.83 Allowed Glycine 0 C--N 1.339 0.723 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.472 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 64.4 mtm -98.28 109.04 21.86 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -79.31 123.51 27.53 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.481 0.658 . . . . 0.0 111.604 -174.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 44.8 t -72.27 118.63 15.4 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.303 168.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -78.06 -3.63 43.19 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.962 -175.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.1 mt -91.64 -33.47 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.078 -175.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 22.3 p -143.2 4.26 1.41 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -172.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 68.65 21.52 7.89 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 124.02 0.928 . . . . 0.0 113.152 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.6 t -107.67 145.82 32.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.334 0.588 . . . . 0.0 110.913 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -98.09 2.62 48.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.08 -0.963 . . . . 0.0 111.012 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -79.16 88.06 4.88 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.99 0.9 . . . . 0.0 109.382 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.521 HG23 ' HA ' ' A' ' 40' ' ' CYS . 7.2 p -141.0 151.6 44.26 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.888 -173.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -111.56 -179.71 3.78 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 173.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -96.15 130.11 43.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 118.777 0.717 . . . . 0.0 110.157 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.252 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.816 179.091 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.9 ttp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.6 p -98.19 124.9 43.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.492 0.663 . . . . 0.0 111.911 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.1 m -115.89 158.82 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.845 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -97.68 127.86 43.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.106 174.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.649 HD13 HG22 ' A' ' 66' ' ' THR . 12.2 pt -119.38 131.49 71.86 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.85 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.963 177.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 tt -112.2 122.7 48.47 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.541 ' HA ' HG21 ' A' ' 66' ' ' THR . 1.4 m -66.53 151.86 46.39 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -177.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -95.03 -6.13 42.92 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 113.596 -1.638 . . . . 0.0 110.102 171.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.65 -56.82 2.22 Favored 'General case' 0 C--N 1.344 0.33 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -176.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 p -91.02 -9.99 43.86 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 117.971 0.35 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.1 m120 57.82 34.28 24.2 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 124.749 1.281 . . . . 0.0 111.805 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.36 148.08 16.68 Favored Glycine 0 N--CA 1.441 -1.03 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.573 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.437 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 11.3 ptm180 -98.02 156.97 16.39 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.402 0.62 . . . . 0.0 111.633 -175.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.2 m -142.99 128.29 18.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.348 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -87.5 108.46 19.04 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 171.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.48 HG21 ' HB3' ' A' ' 56' ' ' MET . 17.4 m -129.6 160.32 40.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.181 -171.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.9 136.39 41.45 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 172.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -64.36 110.0 2.11 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.955 0.883 . . . . 0.0 111.378 -176.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -104.57 120.88 42.31 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 114.187 -1.37 . . . . 0.0 108.606 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.5 mp -66.41 -30.21 49.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-O 121.221 0.534 . . . . 0.0 110.577 -175.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -88.09 11.19 16.81 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.525 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.96 121.18 3.33 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 121.437 -0.411 . . . . 0.0 113.208 175.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.48 ' HB3' HG21 ' A' ' 49' ' ' VAL . 4.6 mpp? -75.24 138.22 41.76 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 122.557 0.343 . . . . 0.0 110.465 176.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -108.26 123.63 49.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.361 0.6 . . . . 0.0 111.006 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.82 131.62 43.3 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.977 178.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -75.85 -16.22 60.1 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.6 mt -74.05 -45.97 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 122.76 0.424 . . . . 0.0 111.132 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 15.4 p -135.63 -0.72 2.59 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -168.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 67.47 23.31 9.08 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 124.61 1.164 . . . . 0.0 112.96 175.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.5 t -96.58 148.02 23.27 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.308 0.575 . . . . 0.0 110.448 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -98.14 -8.63 27.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.367 -1.288 . . . . 0.0 111.085 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -75.75 91.87 2.97 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-O 121.691 0.758 . . . . 0.0 110.253 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.649 HG22 HD13 ' A' ' 38' ' ' ILE . 17.7 p -144.48 170.41 16.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.202 -171.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -128.29 144.86 51.17 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 172.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -78.04 115.51 17.83 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 118.495 0.589 . . . . 0.0 110.004 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.484 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.675 -179.731 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.1 ptm . . . . . 0 C--O 1.234 0.284 0 CA-C-O 121.014 0.435 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 p -97.85 124.73 42.37 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.785 0.803 . . . . 0.0 110.817 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.43 ' HB ' HE21 ' A' ' 68' ' ' GLN . 35.5 m -118.15 157.03 19.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.071 -175.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.436 ' OD2' ' HD2' ' A' ' 46' ' ' ARG . 32.6 t70 -107.95 125.77 51.9 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.609 HD12 HG23 ' A' ' 66' ' ' THR . 3.4 pt -123.33 132.04 72.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.055 -178.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.533 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 2.4 tt -109.74 126.3 53.59 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -176.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.5 m -69.12 144.33 53.91 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -85.69 -20.1 29.89 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.244 -1.344 . . . . 0.0 109.671 167.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -91.58 -47.14 7.57 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -173.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 9.2 p -104.19 -2.87 25.13 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.483 0.583 . . . . 0.0 111.421 -178.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 57.92 31.47 20.62 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.387 1.075 . . . . 0.0 112.666 -177.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.2 142.34 13.78 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 121.131 -0.557 . . . . 0.0 111.995 -178.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.533 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 15.4 ptt180 -104.2 153.52 20.87 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.584 0.706 . . . . 0.0 111.903 -176.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 m -141.99 141.28 32.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.503 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.6 m -95.32 108.61 20.79 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.614 0.721 . . . . 0.0 109.112 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.479 HG13 ' O ' ' A' ' 57' ' ' LYS . 29.2 m -128.39 172.84 14.39 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.639 0 CA-C-N 114.521 -1.218 . . . . 0.0 108.999 -176.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -74.99 152.47 38.74 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 118.226 0.466 . . . . 0.0 110.41 175.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -70.05 110.51 5.14 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.458 0.647 . . . . 0.0 109.572 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -116.86 119.57 35.8 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.658 -1.155 . . . . 0.0 109.551 -172.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mp -69.99 -27.87 34.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.57 -176.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.9 mt -88.54 16.71 6.17 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.248 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.52 122.59 4.4 Favored Glycine 0 C--N 1.334 0.468 0 N-CA-C 111.964 -0.455 . . . . 0.0 111.964 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.495 ' HB3' HD11 ' A' ' 38' ' ' ILE . 65.0 mtm -88.71 127.21 35.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.411 0.624 . . . . 0.0 111.233 -177.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.479 ' O ' HG13 ' A' ' 49' ' ' VAL . 37.9 ttpt -103.74 113.52 27.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.452 -169.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 137.64 56.07 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.594 171.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -80.44 -11.24 59.71 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.997 0.739 . . . . 0.0 112.997 -171.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.7 mt -82.73 -35.41 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.988 -176.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.9 p -136.54 -11.42 1.84 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -173.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 67.39 26.84 8.3 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.68 1.192 . . . . 0.0 113.214 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.9 m -98.66 153.29 18.81 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.473 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -103.06 5.04 37.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.545 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -78.57 81.4 4.9 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.609 HG23 HD12 ' A' ' 38' ' ' ILE . 20.5 p -138.34 157.91 45.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.825 0.822 . . . . 0.0 112.039 -172.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.12 132.7 51.81 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 113.967 -1.469 . . . . 0.0 107.576 171.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.43 HE21 ' HB ' ' A' ' 36' ' ' VAL . 61.0 tt0 -69.16 118.43 12.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.09 0.471 . . . . 0.0 111.095 -175.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.253 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.541 179.232 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.517 HG23 HE21 ' A' ' 50' ' ' GLN . 24.8 p -115.72 126.78 54.52 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.694 -172.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.4 m -118.35 144.58 26.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.189 172.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.455 ' HB3' ' HB2' ' A' ' 69' ' ' ALA . 1.1 t70 -93.06 133.47 36.19 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 175.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.506 HD12 HG22 ' A' ' 66' ' ' THR . 8.3 pt -120.33 132.63 69.44 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 O-C-N 123.301 0.375 . . . . 0.0 110.586 178.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.61 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 1.3 tt -110.14 127.35 54.86 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -177.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.514 ' HA ' HG21 ' A' ' 66' ' ' THR . 0.1 OUTLIER -67.27 148.43 51.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.971 -1.013 . . . . 0.0 113.006 -175.823 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -93.29 -19.26 21.55 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.846 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -100.9 -54.89 2.7 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -176.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.1 p -95.04 -2.32 50.45 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.14 0.427 . . . . 0.0 112.115 -174.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 51.04 43.58 28.94 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 124.488 1.115 . . . . 0.0 112.954 -175.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -127.03 129.71 6.63 Favored Glycine 0 N--CA 1.436 -1.359 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.444 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.61 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 12.7 ptm180 -96.49 154.68 17.13 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.507 0.67 . . . . 0.0 111.967 -178.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.5 m -139.72 121.66 15.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.611 -177.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 m -80.44 109.01 14.53 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.0 m -129.13 171.59 16.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.065 -171.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.517 HE21 HG23 ' A' ' 35' ' ' THR . 2.2 mp0 -85.78 147.25 26.41 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 172.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -66.63 117.48 8.85 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.36 0.6 . . . . 0.0 110.644 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -108.29 128.15 54.49 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.594 -1.185 . . . . 0.0 108.733 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 mp -63.51 -34.75 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.515 0.726 . . . . 0.0 110.852 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.66 12.17 11.26 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.722 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.591 ' HA3' ' HE1' ' A' ' 64' ' ' TYR . . . 100.66 134.02 8.36 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.441 -0.409 . . . . 0.0 112.333 177.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -78.67 146.45 34.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.025 0.441 . . . . 0.0 110.434 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -111.46 127.68 55.76 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.04 -174.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 18.5 t -65.42 124.1 21.39 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.345 172.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -86.96 13.6 8.83 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -173.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 21.4 mt -114.96 -42.66 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.67 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.0 p -126.26 -2.99 6.9 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 120.362 -0.535 . . . . 0.0 112.136 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 59.11 54.59 4.83 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.476 1.11 . . . . 0.0 112.979 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 99.2 p -116.47 154.94 29.47 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.951 176.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.591 ' HE1' ' HA3' ' A' ' 55' ' ' GLY . 77.9 t80 -89.21 -13.64 37.79 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.961 173.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -73.62 80.8 1.51 Allowed 'General case' 0 C--O 1.24 0.582 0 CA-C-O 122.125 0.964 . . . . 0.0 110.666 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.514 HG21 ' HA ' ' A' ' 40' ' ' CYS . 9.5 p -145.42 151.07 37.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.313 -1.312 . . . . 0.0 109.873 -174.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.46 177.81 4.57 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 107.529 -1.285 . . . . 0.0 107.529 168.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -88.5 133.48 34.13 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 172.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.455 ' HB2' ' HB3' ' A' ' 37' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.264 0.554 . . . . 0.0 110.996 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 C--O 1.22 -0.493 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.1 p -108.06 126.45 52.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.793 0.33 . . . . 0.0 111.328 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.7 m -123.4 147.02 27.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.484 175.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -96.38 129.52 43.71 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 174.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.565 HD11 HG21 ' A' ' 66' ' ' THR . 1.4 pp -129.12 146.81 33.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.734 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -173.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.0 mt -109.21 133.68 52.71 Favored 'General case' 0 CA--C 1.512 -0.505 0 O-C-N 123.762 0.664 . . . . 0.0 109.364 177.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.454 ' HA ' HG23 ' A' ' 66' ' ' THR . 0.1 OUTLIER -72.07 145.28 48.33 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.619 -176.716 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -97.11 8.9 43.55 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.701 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -127.43 -55.56 1.33 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.229 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 8.8 p -96.74 -5.28 39.01 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 118.475 0.579 . . . . 0.0 110.718 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 57.8 30.52 19.13 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.435 1.494 . . . . 0.0 113.988 175.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.21 151.05 18.53 Favored Glycine 0 C--N 1.336 0.551 0 C-N-CA 121.271 -0.49 . . . . 0.0 111.993 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 8.6 ptp180 -94.51 154.77 17.24 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.313 0.578 . . . . 0.0 112.082 -176.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.4 m -147.82 126.45 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.605 175.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 m -85.95 108.11 18.05 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 173.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.5 m -142.46 175.11 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.102 -171.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -73.46 138.43 45.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.715 178.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -67.37 121.15 15.13 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.785 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -132.15 121.94 24.53 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 113.836 -1.529 . . . . 0.0 108.086 -173.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.1 mp -67.63 -27.59 38.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 123.031 0.532 . . . . 0.0 110.954 -173.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -89.59 28.66 1.26 Allowed 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.42 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.789 ' HA3' ' HB3' ' A' ' 64' ' ' TYR . . . 98.7 132.64 7.72 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 116.152 -0.477 . . . . 0.0 112.178 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -80.23 135.49 36.27 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.787 0.327 . . . . 0.0 110.291 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.02 110.53 6.57 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 121.731 0.777 . . . . 0.0 111.374 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.5 t -81.02 124.21 28.99 Favored 'General case' 0 C--O 1.212 -0.892 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 169.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -82.86 -0.51 48.51 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -173.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.9 mt -91.06 -33.21 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.2 p -141.97 0.02 1.35 Allowed 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -175.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 65.11 20.95 12.13 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 125.155 1.382 . . . . 0.0 113.301 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.4 t -90.82 147.38 23.23 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.04 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.789 ' HB3' ' HA3' ' A' ' 55' ' ' GLY . 81.6 m-85 -101.11 -3.43 29.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.451 -178.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -77.79 90.62 4.06 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.515 0.674 . . . . 0.0 109.588 178.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.565 HG21 HD11 ' A' ' 38' ' ' ILE . 21.0 p -143.66 143.76 31.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.928 -171.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.31 147.11 41.87 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 173.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.48 ' HA ' HG21 ' A' ' 38' ' ' ILE . 53.8 tt0 -64.81 127.51 31.87 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.249 0.547 . . . . 0.0 111.939 -173.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.2 0 CA-C-N 115.105 -0.952 . . . . 0.0 113.404 -167.661 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 24.6 ttt . . . . . 0 N--CA 1.448 -0.546 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.0 p -90.78 124.17 34.92 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.988 0.423 . . . . 0.0 110.697 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.6 m -118.73 150.17 21.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.891 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.459 ' OD2' ' HD2' ' A' ' 46' ' ' ARG . 35.7 t70 -102.15 125.66 48.91 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.44 ' HB ' ' HB ' ' A' ' 66' ' ' THR . 4.3 pt -119.09 130.07 74.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.043 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.594 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 1.5 tt -109.43 130.39 55.5 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -174.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.36 139.69 39.79 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.183 -174.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -85.96 -12.58 50.09 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.538 -1.21 . . . . 0.0 112.987 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -117.41 -51.09 2.52 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.4 p -86.29 -1.48 57.54 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 118.407 0.549 . . . . 0.0 112.432 -174.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.2 m120 54.91 82.5 0.09 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.821 1.248 . . . . 0.0 112.683 175.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 166.48 151.26 6.72 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -175.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.594 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 17.4 ptt180 -117.34 157.58 25.88 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -173.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.0 m -133.69 121.59 22.17 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.285 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.0 m -88.26 109.37 19.89 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 172.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.433 HG13 ' HE2' ' A' ' 59' ' ' LYS . 16.1 m -128.81 171.77 16.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.29 -1.323 . . . . 0.0 109.474 -172.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -75.8 138.59 41.27 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 174.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -66.29 121.1 14.49 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 123.859 0.725 . . . . 0.0 110.319 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -119.84 128.53 53.77 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.321 -1.309 . . . . 0.0 108.548 -176.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.7 mm -65.24 -36.4 77.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.122 0.569 . . . . 0.0 110.408 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -83.07 -6.94 59.68 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.582 -177.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.53 132.3 3.46 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.652 -0.785 . . . . 0.0 113.44 176.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -87.47 133.03 33.81 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 175.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -95.21 128.75 42.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.121 0.486 . . . . 0.0 110.682 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.8 t -66.35 127.4 32.11 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.857 172.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.433 ' HE2' HG13 ' A' ' 49' ' ' VAL . 67.8 mttm -89.03 26.96 1.45 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.18 0.514 . . . . 0.0 112.268 -176.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.3 mt -121.07 -43.19 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.5 p -125.32 0.69 7.73 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 59.69 28.24 17.64 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.5 t -116.31 160.63 20.21 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.243 -0.286 . . . . 0.0 110.234 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -97.88 27.92 4.2 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-O 122.883 1.325 . . . . 0.0 110.198 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -87.43 39.26 0.86 Allowed 'General case' 0 CA--C 1.551 0.982 0 O-C-N 121.019 -1.051 . . . . 0.0 111.279 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.44 ' HB ' ' HB ' ' A' ' 38' ' ' ILE . 22.7 p -114.48 144.11 43.86 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.276 -177.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.93 135.89 47.72 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.072 -0.967 . . . . 0.0 108.72 176.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.35 117.53 8.73 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.477 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.947 -175.3 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 58.5 ttp . . . . . 0 C--O 1.235 0.306 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.509 ' HB ' HG21 ' A' ' 48' ' ' THR . 12.0 p -91.65 125.84 36.52 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.242 0.544 . . . . 0.0 110.345 176.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.2 m -122.07 146.84 26.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.33 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.41 134.07 33.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.647 176.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.604 HD13 HG21 ' A' ' 66' ' ' THR . 2.6 pt -130.44 125.16 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.283 177.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 tt -109.95 119.57 39.73 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -175.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.46 ' HA ' HG23 ' A' ' 66' ' ' THR . 1.3 m -60.26 144.16 51.0 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -175.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -86.32 -10.66 54.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.984 169.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -101.92 -54.69 2.66 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.1 p -99.52 -3.3 33.77 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 118.687 0.676 . . . . 0.0 112.305 -175.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 52.99 31.52 11.15 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.77 1.228 . . . . 0.0 113.697 -176.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -117.82 136.01 12.13 Favored Glycine 0 N--CA 1.442 -0.928 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.461 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 18.5 ptt85 -94.59 150.4 20.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.313 0.578 . . . . 0.0 111.081 -179.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.9 m -135.59 127.37 29.23 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.344 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.509 HG21 ' HB ' ' A' ' 35' ' ' THR . 2.1 m -86.37 108.53 18.5 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 171.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.3 m -131.77 171.58 17.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.802 -173.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -72.95 147.01 45.64 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -71.64 108.9 5.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.456 -177.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -110.52 116.66 31.77 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.58 -1.191 . . . . 0.0 108.515 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mp -61.5 -36.23 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 123.345 0.658 . . . . 0.0 111.324 -173.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -90.3 38.09 0.92 Allowed 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 121.008 0.432 . . . . 0.0 111.618 177.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.83 114.33 3.46 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 116.314 -0.403 . . . . 0.0 113.233 173.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.2 mpp? -71.38 133.56 46.05 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 173.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -100.28 122.82 43.68 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.22 0.534 . . . . 0.0 111.682 -176.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.1 t -69.17 127.35 32.79 Favored 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.666 171.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -89.91 0.99 56.75 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -172.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.5 mt -84.41 -36.09 11.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-O 120.807 0.337 . . . . 0.0 110.238 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 16.1 p -131.76 -8.11 3.58 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -175.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 70.96 34.44 1.9 Allowed 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.66 1.184 . . . . 0.0 112.451 176.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.4 m -112.65 141.85 45.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.063 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -95.2 0.71 54.3 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.991 177.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -72.18 87.0 1.08 Allowed 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.689 0.757 . . . . 0.0 109.914 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.604 HG21 HD13 ' A' ' 38' ' ' ILE . 17.3 p -142.34 164.19 30.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.456 -171.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.26 122.97 40.35 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.24 -1.346 . . . . 0.0 108.099 173.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -65.85 117.09 7.74 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.633 0.583 . . . . 0.0 110.515 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.345 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.465 -177.067 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.465 0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.1 p -90.04 122.84 33.4 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.768 0.794 . . . . 0.0 110.772 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -126.62 157.52 37.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.29 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -103.07 124.05 47.8 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.921 0.867 . . . . 0.0 110.996 178.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.57 HD12 HG21 ' A' ' 66' ' ' THR . 5.3 pt -121.08 133.89 66.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.497 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.616 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 1.5 tt -109.26 121.32 44.92 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -173.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.484 ' HA ' HG23 ' A' ' 66' ' ' THR . 0.0 OUTLIER -65.2 146.19 55.28 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -175.869 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -91.54 -22.41 20.37 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.537 172.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -91.45 -54.39 3.93 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 -175.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 9.3 p -96.48 -1.79 46.58 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 117.628 0.195 . . . . 0.0 110.945 -177.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 54.43 30.89 13.59 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.229 1.412 . . . . 0.0 114.076 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.43 144.33 15.01 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.616 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 15.9 ptt180 -97.25 148.19 23.36 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.512 0.672 . . . . 0.0 111.88 -177.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.9 m -125.93 138.61 53.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.21 176.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.0 m -98.72 108.0 20.58 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 172.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.4 m -133.04 169.2 22.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.336 -172.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -74.93 153.12 38.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.991 174.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -71.57 98.64 1.91 Allowed 'General case' 0 CA--C 1.523 -0.094 0 CA-C-O 121.882 0.848 . . . . 0.0 110.447 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.43 ' CE1' ' HB2' ' A' ' 54' ' ' LEU . 7.8 t-80 -95.23 117.13 29.72 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 114.359 -1.291 . . . . 0.0 107.78 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.1 mp -67.91 -27.61 38.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.371 -176.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.43 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 55.0 mt -92.4 10.75 28.63 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.48 108.25 1.96 Allowed Glycine 0 C--N 1.335 0.487 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.577 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.425 ' HG2' ' H ' ' A' ' 52' ' ' HIS . 72.9 mtm -70.8 118.4 13.53 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.322 0.582 . . . . 0.0 111.439 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -90.45 112.03 23.52 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.608 -171.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.5 t -64.59 120.31 12.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.414 -1.266 . . . . 0.0 109.641 167.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -86.53 17.15 4.02 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -174.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.8 mt -99.83 -30.83 3.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.995 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.8 p -140.88 -7.91 1.06 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 72.37 20.76 3.94 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 125.28 1.432 . . . . 0.0 112.708 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.3 t -107.6 145.83 32.75 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.952 0.406 . . . . 0.0 110.154 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -96.84 7.17 47.22 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.521 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -77.91 89.58 4.1 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.976 0.893 . . . . 0.0 109.303 177.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.57 HG21 HD12 ' A' ' 38' ' ' ILE . 11.0 p -141.01 168.71 19.13 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.121 -173.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.18 132.46 51.79 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 171.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -70.19 119.06 13.82 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.072 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.337 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.138 -173.39 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 41.8 ttp . . . . . 0 C--O 1.24 0.558 0 CA-C-O 121.327 0.584 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.0 p -105.42 126.28 51.94 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.81 -175.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 m -112.82 141.59 27.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.484 -176.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -88.94 121.9 31.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.488 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.586 HD13 HG23 ' A' ' 66' ' ' THR . 20.7 pt -119.47 142.32 35.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.747 -172.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.514 ' HB2' ' HB1' ' A' ' 69' ' ' ALA . 0.6 OUTLIER -111.23 127.67 55.68 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.12 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.551 ' HA ' HG22 ' A' ' 66' ' ' THR . 0.5 OUTLIER -70.24 144.39 51.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.184 -0.916 . . . . 0.0 113.322 -172.415 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -91.69 -13.62 31.41 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.054 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -108.45 -53.45 2.63 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -177.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 p -96.41 -1.81 46.77 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 118.963 0.802 . . . . 0.0 112.83 -172.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 50.97 83.21 0.05 Allowed 'General case' 0 C--N 1.35 0.616 0 C-N-CA 124.496 1.119 . . . . 0.0 112.565 -174.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -179.91 142.93 5.36 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.149 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.447 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 15.2 ptt180 -98.83 154.14 18.25 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.392 0.615 . . . . 0.0 112.433 -175.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.9 m -141.44 133.65 27.91 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.244 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 m -97.58 108.25 20.93 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 171.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.8 m -138.97 173.58 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.886 -172.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -71.31 134.7 46.96 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.849 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -64.12 129.51 40.3 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.939 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -129.84 125.7 36.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.535 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mp -66.83 -30.96 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 122.582 0.353 . . . . 0.0 111.115 -175.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -86.94 16.12 5.25 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 176.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 107.31 123.86 5.1 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.161 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.431 ' HB3' HD12 ' A' ' 38' ' ' ILE . 4.5 mpp? -71.92 138.64 48.27 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 122.704 0.402 . . . . 0.0 110.886 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -85.07 106.41 16.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.256 0.551 . . . . 0.0 111.438 -174.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.4 t -64.74 125.02 23.48 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.591 171.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -88.16 8.72 25.66 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.5 mt -91.23 -35.78 7.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.388 176.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.0 p -133.91 -6.57 2.76 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -174.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 71.69 21.76 4.23 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 125.032 1.333 . . . . 0.0 112.608 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.5 t -102.16 146.1 28.44 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.275 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -91.1 -0.2 57.67 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.397 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -77.72 84.49 4.06 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.511 0.672 . . . . 0.0 109.734 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.586 HG23 HD13 ' A' ' 38' ' ' ILE . 17.8 p -144.27 145.47 32.05 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.042 -172.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -117.63 121.19 40.25 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 173.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.574 ' HA ' ' HA ' ' A' ' 38' ' ' ILE . 61.3 tt0 -52.17 118.18 3.32 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 124.583 1.177 . . . . 0.0 112.093 -174.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.514 ' HB1' ' HB2' ' A' ' 39' ' ' LEU . . . . . . . . 0 C--O 1.236 0.355 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -175.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 N--CA 1.449 -0.494 0 CA-C-O 120.681 0.277 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.1 p -124.5 144.06 50.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.005 173.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 m -137.67 158.93 34.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 124.013 0.925 . . . . 0.0 110.105 176.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -98.71 129.98 45.18 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 174.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.605 HD13 HG22 ' A' ' 66' ' ' THR . 4.6 pt -128.63 128.1 67.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 121.362 0.601 . . . . 0.0 111.33 -178.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 tt -111.56 121.98 46.61 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -176.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.407 ' HA ' HG21 ' A' ' 66' ' ' THR . 1.3 m -61.86 148.23 44.04 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -175.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -85.19 -21.62 29.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.106 -1.406 . . . . 0.0 109.385 170.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -94.64 -56.74 2.68 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -176.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.4 p -95.95 -5.07 42.19 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 117.83 0.286 . . . . 0.0 110.936 -174.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 53.73 31.45 12.89 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 125.454 1.502 . . . . 0.0 113.089 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.64 135.94 12.81 Favored Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.427 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.472 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 0.6 OUTLIER -103.35 146.41 28.51 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.584 0.707 . . . . 0.0 111.953 -177.278 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.4 m -142.55 131.82 23.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.857 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.2 m -89.22 109.07 19.99 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 173.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.4 HG13 ' O ' ' A' ' 57' ' ' LYS . 9.1 m -134.88 172.26 16.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.44 -174.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -74.13 149.45 41.01 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.402 ' HA ' ' HG2' ' A' ' 56' ' ' MET . 78.5 t80 -71.55 104.69 3.37 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.756 0.788 . . . . 0.0 109.99 177.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -89.18 124.4 34.32 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 169.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.517 HD13 ' H ' ' A' ' 53' ' ' ILE . 3.3 mp -68.94 -32.93 56.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.846 -172.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.4 mt -91.75 17.41 9.03 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.673 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.55 109.91 1.57 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.713 177.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.402 ' HG2' ' HA ' ' A' ' 51' ' ' PHE . 46.4 mtm -68.58 131.89 46.0 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.455 0.702 . . . . 0.0 111.773 -177.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.4 ' O ' HG13 ' A' ' 49' ' ' VAL . 24.1 ttmm -85.64 115.07 23.11 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.694 -169.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.5 t -77.44 118.15 19.61 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 168.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -85.7 29.46 0.7 Allowed 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 122.241 1.019 . . . . 0.0 111.347 -173.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 28.4 mt -118.88 -40.46 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 O-C-N 121.698 -0.626 . . . . 0.0 109.47 174.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.1 p -129.37 -6.62 4.76 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -175.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 66.96 27.44 8.85 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 124.634 1.174 . . . . 0.0 112.613 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.2 t -104.69 143.96 32.37 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 172.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -100.62 6.6 44.15 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.772 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -76.33 89.46 3.17 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.668 0.747 . . . . 0.0 109.554 174.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.605 HG22 HD13 ' A' ' 38' ' ' ILE . 22.4 p -140.6 179.46 6.67 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.207 -169.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.66 131.18 25.4 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 171.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -66.57 119.19 11.28 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.342 0.592 . . . . 0.0 111.19 -177.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.504 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.34 -177.92 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 15.1 ttt . . . . . 0 N--CA 1.471 0.591 0 CA-C-O 120.546 0.212 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.6 p -91.05 124.48 35.31 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.532 0.682 . . . . 0.0 111.957 -172.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.9 m -131.36 140.21 48.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.327 176.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -86.2 124.01 32.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.931 0.872 . . . . 0.0 110.003 175.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.497 HD11 HG22 ' A' ' 66' ' ' THR . 1.2 pp -120.33 132.65 69.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.369 -177.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.612 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 2.1 tt -107.1 120.92 43.39 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 -170.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.51 144.14 57.41 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-N 114.933 -1.03 . . . . 0.0 113.273 -177.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -86.0 -13.0 48.85 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 113.493 -1.685 . . . . 0.0 109.399 170.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -99.52 -54.16 3.01 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.48 0.918 . . . . 0.0 113.48 -177.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.4 p -98.03 -3.37 38.26 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.557 0.617 . . . . 0.0 112.279 -172.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.8 t30 52.42 80.75 0.09 Allowed 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.62 1.168 . . . . 0.0 111.581 -177.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.64 144.73 4.46 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.743 -176.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 28.1 ptt180 -105.29 149.71 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.497 0.665 . . . . 0.0 112.622 -173.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.4 m -134.63 128.86 33.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.99 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.0 m -86.15 109.98 19.26 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 57' ' ' LYS . 11.3 m -138.14 172.2 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.058 -175.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.31 150.39 41.93 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 120.799 0.333 . . . . 0.0 110.694 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -70.53 120.43 16.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.405 -175.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -122.64 129.51 51.94 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.582 -173.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.9 mt -65.33 -32.17 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.305 -177.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -94.61 25.13 4.14 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.097 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.46 126.99 5.54 Favored Glycine 0 C--N 1.339 0.744 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.677 177.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.413 ' CB ' HG12 ' A' ' 38' ' ' ILE . 4.8 mpp? -71.21 129.41 38.84 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.971 0.415 . . . . 0.0 110.819 179.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.416 ' O ' HG12 ' A' ' 49' ' ' VAL . 39.7 ttmt -92.78 109.47 20.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.569 0.7 . . . . 0.0 112.004 -170.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.62 127.56 31.89 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.871 173.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.01 -2.82 57.35 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -174.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.6 mt -79.04 -37.53 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.553 178.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.2 p -140.9 -4.54 1.19 Allowed 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -171.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 70.36 20.23 6.15 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 125.131 1.372 . . . . 0.0 112.806 176.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.7 t -102.05 135.77 43.03 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.471 176.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -97.34 7.17 47.07 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.434 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -72.14 87.21 1.08 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 122.003 0.906 . . . . 0.0 108.932 172.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.497 HG22 HD11 ' A' ' 38' ' ' ILE . 20.4 p -142.82 166.31 24.98 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.636 -1.165 . . . . 0.0 109.881 -169.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.7 145.18 50.98 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 170.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.452 ' HA ' HG21 ' A' ' 38' ' ' ILE . 65.2 tt0 -70.04 116.68 10.7 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.067 0.46 . . . . 0.0 110.384 -177.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.612 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . . . . . . . . 0 N--CA 1.448 -0.549 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.974 -176.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.3 ttp . . . . . 0 CA--C 1.524 -0.043 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.0 p -103.32 127.6 50.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.019 0.438 . . . . 0.0 110.991 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.9 m -122.86 140.81 45.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.642 174.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -87.21 123.69 32.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 176.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.602 HD13 HG21 ' A' ' 66' ' ' THR . 9.1 pt -115.97 129.28 72.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.438 0.637 . . . . 0.0 111.516 -177.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 tt -111.22 124.04 51.42 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.497 -0.774 . . . . 0.0 108.914 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.8 m -67.49 148.42 51.53 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -176.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -79.12 -25.59 42.96 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.105 -1.407 . . . . 0.0 109.453 169.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.71 -57.07 2.87 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -173.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.0 p -91.64 -10.58 39.84 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 117.942 0.337 . . . . 0.0 111.605 -174.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 55.97 41.5 29.75 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.044 0.938 . . . . 0.0 111.322 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.84 137.97 9.98 Favored Glycine 0 N--CA 1.44 -1.071 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.353 -177.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 16.2 ptt180 -100.55 149.4 23.76 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 124.376 0.692 . . . . 0.0 111.47 -174.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.0 m -147.86 123.76 10.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.939 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.2 m -81.8 107.2 14.34 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 176.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.505 HG11 ' O ' ' A' ' 57' ' ' LYS . 34.2 m -130.8 171.12 18.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.129 -172.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -83.54 146.95 28.06 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 176.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -69.02 106.8 2.9 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.801 0.688 . . . . 0.0 109.869 178.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.436 ' CE1' ' HB2' ' A' ' 54' ' ' LEU . 15.4 t-80 -108.48 128.37 54.74 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.164 -176.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.9 mm -65.29 -35.16 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.136 -176.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.436 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 5.0 mp -92.83 33.36 1.16 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.998 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.82 128.71 6.45 Favored Glycine 0 C--N 1.337 0.612 0 C-N-CA 121.591 -0.338 . . . . 0.0 113.268 176.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 71.6 mtm -85.98 121.94 29.32 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.263 0.554 . . . . 0.0 110.686 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.505 ' O ' HG11 ' A' ' 49' ' ' VAL . 22.8 ttmm -92.15 108.65 20.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.087 -170.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.49 133.17 53.43 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.63 168.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.451 ' HE3' HG13 ' A' ' 49' ' ' VAL . 35.6 mmtp -83.19 -9.18 59.3 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -170.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.2 mt -90.05 -30.94 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.426 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.9 p -144.2 -4.45 0.81 Allowed 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -176.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 63.98 21.34 12.57 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -178.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.4 t -88.23 144.93 26.16 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 121.198 0.523 . . . . 0.0 110.773 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -101.9 -2.22 30.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.499 -1.228 . . . . 0.0 110.162 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -78.73 86.83 4.65 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.933 0.873 . . . . 0.0 108.756 171.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.602 HG21 HD13 ' A' ' 38' ' ' ILE . 14.1 p -138.35 174.91 10.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.963 -171.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.32 163.3 31.32 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.57 -1.196 . . . . 0.0 108.021 170.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -77.78 144.32 37.23 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.609 -0.436 . . . . 0.0 109.998 175.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 121.72 0.771 . . . . 0.0 112.91 -171.576 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.4 tmt? . . . . . 0 N--CA 1.468 0.427 0 CA-C-O 121.046 0.45 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.491 ' HB ' HG21 ' A' ' 48' ' ' THR . 6.2 p -138.58 128.43 25.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.543 -176.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.4 m -119.24 144.13 28.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.902 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -79.46 128.32 33.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.631 0.729 . . . . 0.0 109.363 174.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.611 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 1.6 pp -124.24 131.81 72.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.463 -172.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.436 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -107.49 119.32 39.09 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.923 -166.398 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.1 m -62.1 141.79 57.94 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.713 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -86.67 -14.23 43.19 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.288 169.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -95.38 -54.34 3.43 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 4.6 p -101.8 -3.39 28.14 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.186 0.448 . . . . 0.0 112.132 -175.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 55.03 47.26 22.46 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.162 0.985 . . . . 0.0 112.552 -177.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.64 134.71 7.61 Favored Glycine 0 CA--C 1.506 -0.512 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.755 -177.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.611 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 36.8 ptt180 -95.87 145.36 25.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.467 0.651 . . . . 0.0 111.678 -179.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.7 m -136.46 135.68 38.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.523 177.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.491 HG21 ' HB ' ' A' ' 35' ' ' THR . 3.0 m -90.2 106.89 18.79 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.851 178.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.8 m -141.13 173.77 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 114.768 -1.105 . . . . 0.0 108.309 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -72.29 155.57 40.05 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 120.746 0.308 . . . . 0.0 110.48 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -75.35 94.29 3.03 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.881 0.848 . . . . 0.0 110.529 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.464 ' CE1' ' HB2' ' A' ' 54' ' ' LEU . 36.9 t-80 -92.54 113.25 25.48 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.182 174.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.4 mt -64.1 -26.01 39.46 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 O-C-N 123.796 0.685 . . . . 0.0 112.315 -167.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.464 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 6.0 mp -87.11 16.11 5.43 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.73 118.37 3.14 Favored Glycine 0 C--N 1.334 0.433 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.424 ' HG3' ' H ' ' A' ' 52' ' ' HIS . 4.5 mpp? -79.66 148.7 31.51 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.924 0.392 . . . . 0.0 111.131 -177.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -82.31 111.18 18.14 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 121.631 0.729 . . . . 0.0 111.782 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.9 t -82.0 118.24 22.83 Favored 'General case' 0 C--O 1.209 -1.064 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 164.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.436 ' HA ' ' OE2' ' A' ' 62' ' ' GLU . 50.9 mtpt -82.88 -5.44 59.01 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 122.376 0.27 . . . . 0.0 111.665 -172.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 43.2 mt -80.32 -33.26 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 122.759 0.424 . . . . 0.0 110.8 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.0 p -135.94 -9.8 2.06 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -177.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.436 ' OE2' ' HA ' ' A' ' 59' ' ' LYS . 20.9 mm-40 69.18 29.75 4.55 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.056 1.342 . . . . 0.0 112.742 178.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.2 t -98.98 145.73 26.75 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.467 173.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -104.59 6.26 34.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.584 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -80.97 82.57 6.91 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 122.367 1.08 . . . . 0.0 108.841 173.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.5 p -137.96 150.48 47.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.206 -171.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.34 153.11 23.24 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 171.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.572 ' HA ' HG22 ' A' ' 38' ' ' ILE . 58.2 tt0 -81.81 120.46 25.19 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.286 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.141 -175.658 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 60.6 ttp . . . . . 0 N--CA 1.462 0.142 0 CA-C-O 120.61 0.243 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.8 p -89.66 122.37 32.72 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.253 0.549 . . . . 0.0 111.113 -176.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.4 m -129.4 140.0 50.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.07 -176.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.573 ' HB3' ' HG1' ' A' ' 48' ' ' THR . 9.6 p-10 -94.59 121.53 36.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 122.021 0.915 . . . . 0.0 110.176 177.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.572 HD12 HG23 ' A' ' 66' ' ' THR . 1.9 pt -113.03 128.23 69.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.173 -176.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.523 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 3.3 tt -108.56 126.56 53.08 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.059 -169.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.454 ' HA ' HG22 ' A' ' 66' ' ' THR . 1.7 m -66.75 149.04 51.11 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -175.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -88.32 -12.2 44.15 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 113.648 -1.614 . . . . 0.0 109.418 169.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -101.31 -55.82 2.45 Favored 'General case' 0 C--N 1.351 0.637 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.6 p -97.62 -4.46 37.51 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.264 0.484 . . . . 0.0 111.398 -178.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 55.03 31.93 17.16 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 124.912 1.285 . . . . 0.0 113.673 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -125.69 146.41 16.18 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.468 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 25.6 ptt180 -104.6 150.99 24.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.333 0.587 . . . . 0.0 112.029 -172.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 51.1 m -137.15 126.14 24.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.206 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.573 ' HG1' ' HB3' ' A' ' 37' ' ' ASP . 6.0 m -87.18 110.62 20.27 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.701 0.762 . . . . 0.0 109.985 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.429 HG22 ' HB3' ' A' ' 56' ' ' MET . 4.3 m -128.82 173.05 14.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.755 -176.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -74.26 154.76 38.83 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 171.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -76.51 119.37 20.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.251 0.548 . . . . 0.0 110.833 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -113.86 126.74 55.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.209 177.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.6 mp -65.52 -34.61 71.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 122.613 0.365 . . . . 0.0 111.094 -173.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 54' ' ' LEU . 3.5 mm? -95.72 27.55 3.44 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.91 134.9 7.75 Favored Glycine 0 C--N 1.338 0.686 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.779 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.429 ' HB3' HG22 ' A' ' 49' ' ' VAL . 5.1 mpp? -95.5 172.77 7.87 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.779 0.324 . . . . 0.0 111.467 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -117.28 131.72 56.76 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.442 0.639 . . . . 0.0 112.547 -176.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.6 t -81.67 122.61 27.85 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 166.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -77.04 -15.35 59.63 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.681 0.392 . . . . 0.0 111.945 -175.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 20.4 mt -79.87 -35.77 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 123.084 0.554 . . . . 0.0 111.385 -174.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.0 p -140.31 4.97 2.04 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 65.82 30.32 10.09 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.394 1.078 . . . . 0.0 112.996 174.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.8 t -104.94 144.09 32.27 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.392 -175.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -96.66 -5.46 38.84 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.851 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -74.16 83.06 1.82 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.867 0.841 . . . . 0.0 109.439 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.572 HG23 HD12 ' A' ' 38' ' ' ILE . 22.3 p -144.93 161.67 38.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.702 -1.135 . . . . 0.0 110.495 -171.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.38 153.04 46.72 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 171.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -70.89 122.22 19.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 117.992 0.36 . . . . 0.0 110.218 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.523 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.28 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.902 -175.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 48.1 ttp . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.2 p -91.81 134.07 35.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.234 177.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.6 m -119.51 152.76 22.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.609 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -107.63 124.08 49.43 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.548 HD13 HG22 ' A' ' 66' ' ' THR . 11.5 pt -117.17 133.34 64.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 123.235 0.334 . . . . 0.0 110.97 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.572 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 1.1 tt -110.67 127.73 55.41 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -177.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.425 ' HA ' HG21 ' A' ' 66' ' ' THR . 1.3 m -66.44 145.33 55.79 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -96.28 16.59 17.91 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 114.288 -1.323 . . . . 0.0 110.356 169.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.406 ' H ' ' HB3' ' A' ' 40' ' ' CYS . 1.4 p30 -126.5 -54.56 1.45 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.422 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.6 p -98.1 -1.95 41.21 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -173.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 56.07 31.08 17.44 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.934 1.294 . . . . 0.0 112.299 -176.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.92 137.73 10.63 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.503 -177.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.572 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 13.5 ptp180 -100.48 152.29 20.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.169 0.509 . . . . 0.0 111.26 -176.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.1 m -136.46 118.66 15.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.618 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.8 m -84.32 108.87 17.41 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 171.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.6 m -120.87 172.11 8.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 114.532 -1.213 . . . . 0.0 109.27 -176.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -76.78 143.62 39.72 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 173.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -68.93 116.17 9.09 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.574 0.702 . . . . 0.0 109.853 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -133.24 116.68 16.48 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 114.364 -1.289 . . . . 0.0 108.712 -170.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.5 mm -61.49 -40.62 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 124.009 0.818 . . . . 0.0 110.931 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -90.82 37.4 0.92 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.468 -178.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.17 113.0 2.78 Favored Glycine 0 C--N 1.335 0.524 0 C-N-CA 120.464 -0.874 . . . . 0.0 114.298 168.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.418 ' H ' ' HE1' ' A' ' 64' ' ' TYR . 52.4 mtm -108.2 113.18 26.1 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 170.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -118.59 130.05 55.67 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.092 -169.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -62.89 123.03 17.45 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.342 175.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.418 ' HA ' ' OE1' ' A' ' 62' ' ' GLU . 64.5 mttm -87.2 1.93 51.58 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -172.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.1 mt -81.54 -35.06 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.053 177.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.6 p -138.78 -8.91 1.39 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -174.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.418 ' OE1' ' HA ' ' A' ' 59' ' ' LYS . 10.7 mm-40 69.67 30.75 3.81 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 124.746 1.218 . . . . 0.0 112.324 176.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.2 t -100.83 144.22 30.04 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.253 174.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.418 ' HE1' ' H ' ' A' ' 56' ' ' MET . 60.2 t80 -91.26 -14.84 30.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.74 178.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -71.14 89.25 0.83 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.789 0.804 . . . . 0.0 110.855 -177.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.548 HG22 HD13 ' A' ' 38' ' ' ILE . 21.0 p -141.44 156.61 45.76 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.799 -172.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.3 119.73 31.98 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.205 -1.361 . . . . 0.0 107.652 175.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.428 ' HA ' ' HA ' ' A' ' 38' ' ' ILE . 25.0 tt0 -64.63 103.41 0.68 Allowed 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.741 0.651 . . . . 0.0 111.085 -174.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.43 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . . . . . . 0 C--O 1.238 0.457 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.645 -169.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 . . . . . 0 N--CA 1.461 0.102 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 27.2 ttt -88.63 93.97 9.74 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 171.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 p -100.81 125.69 47.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.87 175.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.1 m -115.04 143.84 23.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.27 172.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -94.19 122.16 36.44 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.6 pt -115.51 146.66 19.64 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 O-C-N 123.387 0.429 . . . . 0.0 110.975 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.462 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -110.38 150.07 29.34 Favored 'General case' 0 C--O 1.211 -0.973 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.846 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.521 ' HA ' HG23 ' A' ' 66' ' ' THR . 1.9 t -94.28 147.74 22.9 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 120.901 0.382 . . . . 0.0 111.008 -175.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -89.74 -29.34 18.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.144 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -97.83 -42.52 7.54 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -176.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.3 p -103.48 -3.04 25.9 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 119.789 -0.764 . . . . 0.0 111.751 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 55.9 31.34 17.63 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 174.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -117.02 148.59 18.85 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.462 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 23.6 ptt180 -104.02 143.9 32.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.831 0.824 . . . . 0.0 112.105 -175.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.6 m -129.37 124.27 33.83 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 114.073 -1.421 . . . . 0.0 109.411 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.2 m -87.47 107.35 18.52 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 172.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 m -126.93 175.21 9.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 114.486 -1.234 . . . . 0.0 108.308 -176.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -74.05 157.45 36.06 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.842 171.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -77.63 110.48 12.48 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 173.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -122.33 112.02 17.61 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.706 -1.134 . . . . 0.0 108.374 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.5 mt -68.63 -30.23 46.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.054 -175.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.2 mt -81.91 -0.03 41.95 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.65 118.71 1.83 Allowed Glycine 0 C--N 1.339 0.723 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.472 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 64.4 mtm -98.28 109.04 21.86 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -79.31 123.51 27.53 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.481 0.658 . . . . 0.0 111.604 -174.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 44.8 t -72.27 118.63 15.4 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.303 168.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -78.06 -3.63 43.19 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.962 -175.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.1 mt -91.64 -33.47 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.078 -175.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 22.3 p -143.2 4.26 1.41 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -172.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 68.65 21.52 7.89 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 124.02 0.928 . . . . 0.0 113.152 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.6 t -107.67 145.82 32.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.334 0.588 . . . . 0.0 110.913 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -98.09 2.62 48.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.08 -0.963 . . . . 0.0 111.012 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -79.16 88.06 4.88 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.99 0.9 . . . . 0.0 109.382 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.521 HG23 ' HA ' ' A' ' 40' ' ' CYS . 7.2 p -141.0 151.6 44.26 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.888 -173.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -111.56 -179.71 3.78 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 173.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.479 ' HG2' ' H ' ' A' ' 70' ' ' GLY . 49.3 tt0 -96.15 130.11 43.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 118.777 0.717 . . . . 0.0 110.157 175.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.75 -4.44 57.68 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.816 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.479 ' H ' ' HG2' ' A' ' 68' ' ' GLN . . . -87.32 41.07 3.08 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 116.455 -0.338 . . . . 0.0 112.294 173.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.51 121.3 6.8 Favored Glycine 0 C--N 1.343 0.924 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -77.31 135.57 38.41 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 123.055 0.542 . . . . 0.0 110.738 -171.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -83.51 122.46 28.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.346 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.8 tt -115.65 140.9 35.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.908 173.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.2 t -87.88 113.65 23.74 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.599 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -145.56 136.61 24.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.447 174.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -90.53 113.14 25.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.174 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -129.87 124.21 32.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.825 -177.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 C--O 1.25 1.107 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.744 177.423 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 121.127 0.489 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.9 ttp -117.01 117.52 29.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.381 177.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.6 p -98.19 124.9 43.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.492 0.663 . . . . 0.0 111.911 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.1 m -115.89 158.82 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.845 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -97.68 127.86 43.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.106 174.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.649 HD13 HG22 ' A' ' 66' ' ' THR . 12.2 pt -119.38 131.49 71.86 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.85 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.963 177.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 tt -112.2 122.7 48.47 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.541 ' HA ' HG21 ' A' ' 66' ' ' THR . 1.4 m -66.53 151.86 46.39 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -177.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -95.03 -6.13 42.92 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 113.596 -1.638 . . . . 0.0 110.102 171.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.65 -56.82 2.22 Favored 'General case' 0 C--N 1.344 0.33 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -176.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 p -91.02 -9.99 43.86 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 117.971 0.35 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.1 m120 57.82 34.28 24.2 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 124.749 1.281 . . . . 0.0 111.805 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.36 148.08 16.68 Favored Glycine 0 N--CA 1.441 -1.03 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.573 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.437 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 11.3 ptm180 -98.02 156.97 16.39 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.402 0.62 . . . . 0.0 111.633 -175.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.2 m -142.99 128.29 18.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.348 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -87.5 108.46 19.04 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 171.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.48 HG21 ' HB3' ' A' ' 56' ' ' MET . 17.4 m -129.6 160.32 40.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.181 -171.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.9 136.39 41.45 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 172.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -64.36 110.0 2.11 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.955 0.883 . . . . 0.0 111.378 -176.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -104.57 120.88 42.31 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 114.187 -1.37 . . . . 0.0 108.606 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.5 mp -66.41 -30.21 49.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-O 121.221 0.534 . . . . 0.0 110.577 -175.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -88.09 11.19 16.81 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.525 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.96 121.18 3.33 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 121.437 -0.411 . . . . 0.0 113.208 175.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.48 ' HB3' HG21 ' A' ' 49' ' ' VAL . 4.6 mpp? -75.24 138.22 41.76 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 122.557 0.343 . . . . 0.0 110.465 176.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -108.26 123.63 49.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.361 0.6 . . . . 0.0 111.006 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.82 131.62 43.3 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.977 178.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -75.85 -16.22 60.1 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.6 mt -74.05 -45.97 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 122.76 0.424 . . . . 0.0 111.132 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 15.4 p -135.63 -0.72 2.59 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -168.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 67.47 23.31 9.08 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 124.61 1.164 . . . . 0.0 112.96 175.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.5 t -96.58 148.02 23.27 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.308 0.575 . . . . 0.0 110.448 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -98.14 -8.63 27.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.367 -1.288 . . . . 0.0 111.085 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -75.75 91.87 2.97 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-O 121.691 0.758 . . . . 0.0 110.253 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.649 HG22 HD13 ' A' ' 38' ' ' ILE . 17.7 p -144.48 170.41 16.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.202 -171.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -128.29 144.86 51.17 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 172.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -78.04 115.51 17.83 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 118.495 0.589 . . . . 0.0 110.004 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.13 107.27 11.76 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.675 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.09 -2.11 44.16 Favored Glycine 0 CA--C 1.522 0.479 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.479 -173.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.25 156.31 32.16 Favored Glycine 0 C--N 1.339 0.741 0 N-CA-C 112.211 -0.355 . . . . 0.0 112.211 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -77.63 148.78 34.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.176 0.512 . . . . 0.0 111.493 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -119.64 114.87 22.87 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.583 -177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.5 pt -86.24 155.24 3.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.626 171.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 42.0 m 59.29 77.59 0.3 Allowed 'General case' 0 N--CA 1.473 0.694 0 O-C-N 124.695 1.247 . . . . 0.0 111.353 -176.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 32.8 tp -118.65 104.1 10.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.941 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -99.93 1.51 42.79 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.7 176.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -88.24 133.45 34.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.113 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 . . . . . 0 C--O 1.241 0.61 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.135 -179.098 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.2 m120 . . . . . 0 C--O 1.235 0.336 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.1 ptm -74.75 127.71 33.82 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.014 0.435 . . . . 0.0 110.154 175.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 p -97.85 124.73 42.37 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.785 0.803 . . . . 0.0 110.817 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.43 ' HB ' HE21 ' A' ' 68' ' ' GLN . 35.5 m -118.15 157.03 19.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.071 -175.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.436 ' OD2' ' HD2' ' A' ' 46' ' ' ARG . 32.6 t70 -107.95 125.77 51.9 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.609 HD12 HG23 ' A' ' 66' ' ' THR . 3.4 pt -123.33 132.04 72.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.055 -178.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.533 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 2.4 tt -109.74 126.3 53.59 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -176.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.5 m -69.12 144.33 53.91 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -85.69 -20.1 29.89 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.244 -1.344 . . . . 0.0 109.671 167.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -91.58 -47.14 7.57 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -173.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 9.2 p -104.19 -2.87 25.13 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.483 0.583 . . . . 0.0 111.421 -178.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 57.92 31.47 20.62 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.387 1.075 . . . . 0.0 112.666 -177.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.2 142.34 13.78 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 121.131 -0.557 . . . . 0.0 111.995 -178.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.533 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 15.4 ptt180 -104.2 153.52 20.87 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.584 0.706 . . . . 0.0 111.903 -176.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 m -141.99 141.28 32.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.503 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.6 m -95.32 108.61 20.79 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.614 0.721 . . . . 0.0 109.112 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.479 HG13 ' O ' ' A' ' 57' ' ' LYS . 29.2 m -128.39 172.84 14.39 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.639 0 CA-C-N 114.521 -1.218 . . . . 0.0 108.999 -176.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -74.99 152.47 38.74 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 118.226 0.466 . . . . 0.0 110.41 175.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -70.05 110.51 5.14 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.458 0.647 . . . . 0.0 109.572 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -116.86 119.57 35.8 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.658 -1.155 . . . . 0.0 109.551 -172.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mp -69.99 -27.87 34.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.57 -176.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.9 mt -88.54 16.71 6.17 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.248 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.52 122.59 4.4 Favored Glycine 0 C--N 1.334 0.468 0 N-CA-C 111.964 -0.455 . . . . 0.0 111.964 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.495 ' HB3' HD11 ' A' ' 38' ' ' ILE . 65.0 mtm -88.71 127.21 35.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.411 0.624 . . . . 0.0 111.233 -177.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.479 ' O ' HG13 ' A' ' 49' ' ' VAL . 37.9 ttpt -103.74 113.52 27.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.452 -169.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 137.64 56.07 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.594 171.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -80.44 -11.24 59.71 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.997 0.739 . . . . 0.0 112.997 -171.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.7 mt -82.73 -35.41 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.988 -176.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.9 p -136.54 -11.42 1.84 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -173.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 67.39 26.84 8.3 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.68 1.192 . . . . 0.0 113.214 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.9 m -98.66 153.29 18.81 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.473 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -103.06 5.04 37.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.545 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -78.57 81.4 4.9 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.609 HG23 HD12 ' A' ' 38' ' ' ILE . 20.5 p -138.34 157.91 45.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.825 0.822 . . . . 0.0 112.039 -172.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.12 132.7 51.81 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 113.967 -1.469 . . . . 0.0 107.576 171.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.43 HE21 ' HB ' ' A' ' 36' ' ' VAL . 61.0 tt0 -69.16 118.43 12.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.09 0.471 . . . . 0.0 111.095 -175.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -93.14 -53.02 4.29 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.541 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.19 -122.64 9.89 Favored Glycine 0 C--N 1.336 0.565 0 O-C-N 123.826 0.704 . . . . 0.0 112.514 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -128.18 144.59 15.37 Favored Glycine 0 N--CA 1.442 -0.947 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 172.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -73.21 137.13 44.82 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 117.175 0.487 . . . . 0.0 111.454 -175.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -73.69 110.5 8.03 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.148 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.9 tt -96.29 117.09 39.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.291 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.4 t -88.11 97.79 11.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.491 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.4 tp -89.01 121.69 31.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.758 -173.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -138.18 25.12 2.73 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -175.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -67.43 -32.71 73.77 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.788 -0.625 . . . . 0.0 109.827 172.866 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.5 p30 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 122.1 0.952 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -119.02 104.54 10.58 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 174.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.517 HG23 HE21 ' A' ' 50' ' ' GLN . 24.8 p -115.72 126.78 54.52 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.694 -172.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.4 m -118.35 144.58 26.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.189 172.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.455 ' HB3' ' HB2' ' A' ' 69' ' ' ALA . 1.1 t70 -93.06 133.47 36.19 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 175.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.506 HD12 HG22 ' A' ' 66' ' ' THR . 8.3 pt -120.33 132.63 69.44 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 O-C-N 123.301 0.375 . . . . 0.0 110.586 178.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.61 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 1.3 tt -110.14 127.35 54.86 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -177.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.514 ' HA ' HG21 ' A' ' 66' ' ' THR . 0.1 OUTLIER -67.27 148.43 51.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.971 -1.013 . . . . 0.0 113.006 -175.823 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -93.29 -19.26 21.55 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.846 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -100.9 -54.89 2.7 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -176.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.1 p -95.04 -2.32 50.45 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.14 0.427 . . . . 0.0 112.115 -174.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 51.04 43.58 28.94 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 124.488 1.115 . . . . 0.0 112.954 -175.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -127.03 129.71 6.63 Favored Glycine 0 N--CA 1.436 -1.359 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.444 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.61 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 12.7 ptm180 -96.49 154.68 17.13 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.507 0.67 . . . . 0.0 111.967 -178.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.5 m -139.72 121.66 15.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.611 -177.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 m -80.44 109.01 14.53 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.0 m -129.13 171.59 16.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.065 -171.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.517 HE21 HG23 ' A' ' 35' ' ' THR . 2.2 mp0 -85.78 147.25 26.41 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 172.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -66.63 117.48 8.85 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.36 0.6 . . . . 0.0 110.644 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -108.29 128.15 54.49 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.594 -1.185 . . . . 0.0 108.733 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 mp -63.51 -34.75 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.515 0.726 . . . . 0.0 110.852 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.66 12.17 11.26 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.722 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.591 ' HA3' ' HE1' ' A' ' 64' ' ' TYR . . . 100.66 134.02 8.36 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.441 -0.409 . . . . 0.0 112.333 177.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -78.67 146.45 34.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.025 0.441 . . . . 0.0 110.434 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -111.46 127.68 55.76 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.04 -174.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 18.5 t -65.42 124.1 21.39 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.345 172.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -86.96 13.6 8.83 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -173.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 21.4 mt -114.96 -42.66 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.67 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.0 p -126.26 -2.99 6.9 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 120.362 -0.535 . . . . 0.0 112.136 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 59.11 54.59 4.83 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.476 1.11 . . . . 0.0 112.979 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 99.2 p -116.47 154.94 29.47 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.951 176.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.591 ' HE1' ' HA3' ' A' ' 55' ' ' GLY . 77.9 t80 -89.21 -13.64 37.79 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.961 173.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -73.62 80.8 1.51 Allowed 'General case' 0 C--O 1.24 0.582 0 CA-C-O 122.125 0.964 . . . . 0.0 110.666 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.514 HG21 ' HA ' ' A' ' 40' ' ' CYS . 9.5 p -145.42 151.07 37.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.313 -1.312 . . . . 0.0 109.873 -174.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.46 177.81 4.57 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 107.529 -1.285 . . . . 0.0 107.529 168.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -88.5 133.48 34.13 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 172.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.455 ' HB2' ' HB3' ' A' ' 37' ' ' ASP . . . -79.04 97.8 6.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.264 0.554 . . . . 0.0 110.996 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.2 -30.45 7.01 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 114.979 -1.009 . . . . 0.0 111.072 174.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -153.72 -100.33 0.19 Allowed Glycine 0 N--CA 1.44 -1.066 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 175.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -121.45 135.46 55.05 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.499 ' HB2' HD13 ' A' ' 39' ' ' LEU . 1.3 tmt_? -89.35 84.49 6.45 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.6 pt -128.42 158.38 40.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.006 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.4 m -113.14 55.87 0.69 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.455 0.645 . . . . 0.0 109.804 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.1 tt -87.76 100.64 13.0 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -98.69 103.55 15.51 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.222 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -108.45 -56.33 2.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.273 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 . . . . . 0 C--O 1.242 0.695 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.123 -177.574 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.7 m120 . . . . . 0 N--CA 1.47 0.546 0 CA-C-O 121.059 0.457 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.8 ttt -150.51 120.93 7.37 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 176.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.1 p -108.06 126.45 52.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.793 0.33 . . . . 0.0 111.328 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.7 m -123.4 147.02 27.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.484 175.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -96.38 129.52 43.71 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 174.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.565 HD11 HG21 ' A' ' 66' ' ' THR . 1.4 pp -129.12 146.81 33.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.734 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -173.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.0 mt -109.21 133.68 52.71 Favored 'General case' 0 CA--C 1.512 -0.505 0 O-C-N 123.762 0.664 . . . . 0.0 109.364 177.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.454 ' HA ' HG23 ' A' ' 66' ' ' THR . 0.1 OUTLIER -72.07 145.28 48.33 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.619 -176.716 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -97.11 8.9 43.55 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.701 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -127.43 -55.56 1.33 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.229 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 8.8 p -96.74 -5.28 39.01 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 118.475 0.579 . . . . 0.0 110.718 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 57.8 30.52 19.13 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.435 1.494 . . . . 0.0 113.988 175.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.21 151.05 18.53 Favored Glycine 0 C--N 1.336 0.551 0 C-N-CA 121.271 -0.49 . . . . 0.0 111.993 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 8.6 ptp180 -94.51 154.77 17.24 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.313 0.578 . . . . 0.0 112.082 -176.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.4 m -147.82 126.45 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.605 175.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 m -85.95 108.11 18.05 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 173.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.5 m -142.46 175.11 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.102 -171.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -73.46 138.43 45.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.715 178.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -67.37 121.15 15.13 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.785 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -132.15 121.94 24.53 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 113.836 -1.529 . . . . 0.0 108.086 -173.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.1 mp -67.63 -27.59 38.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 123.031 0.532 . . . . 0.0 110.954 -173.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -89.59 28.66 1.26 Allowed 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.42 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.789 ' HA3' ' HB3' ' A' ' 64' ' ' TYR . . . 98.7 132.64 7.72 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 116.152 -0.477 . . . . 0.0 112.178 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -80.23 135.49 36.27 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.787 0.327 . . . . 0.0 110.291 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.02 110.53 6.57 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 121.731 0.777 . . . . 0.0 111.374 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.5 t -81.02 124.21 28.99 Favored 'General case' 0 C--O 1.212 -0.892 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 169.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -82.86 -0.51 48.51 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -173.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.9 mt -91.06 -33.21 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.2 p -141.97 0.02 1.35 Allowed 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -175.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 65.11 20.95 12.13 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 125.155 1.382 . . . . 0.0 113.301 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.4 t -90.82 147.38 23.23 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.04 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.789 ' HB3' ' HA3' ' A' ' 55' ' ' GLY . 81.6 m-85 -101.11 -3.43 29.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.451 -178.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -77.79 90.62 4.06 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.515 0.674 . . . . 0.0 109.588 178.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.565 HG21 HD11 ' A' ' 38' ' ' ILE . 21.0 p -143.66 143.76 31.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.928 -171.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.31 147.11 41.87 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 173.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.48 ' HA ' HG21 ' A' ' 38' ' ' ILE . 53.8 tt0 -64.81 127.51 31.87 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.249 0.547 . . . . 0.0 111.939 -173.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.19 -179.77 6.22 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.105 -0.952 . . . . 0.0 113.404 -167.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 164.57 -167.95 38.65 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 114.671 -1.149 . . . . 0.0 110.321 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.63 64.98 1.04 Allowed Glycine 0 C--N 1.329 0.163 0 C-N-CA 121.189 -0.529 . . . . 0.0 111.889 177.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -116.99 106.64 13.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.849 0.357 . . . . 0.0 110.683 -175.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -106.52 129.59 54.44 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.491 -1.299 . . . . 0.0 107.491 171.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.0 pt -74.79 112.35 12.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 122.368 1.08 . . . . 0.0 112.103 -175.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.1 m -114.0 101.61 9.41 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.521 -1.218 . . . . 0.0 108.742 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.402 HD23 ' H ' ' A' ' 76' ' ' LEU . 2.1 pt? -90.28 149.49 22.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.661 -175.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -99.61 154.17 18.48 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 173.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -161.78 171.42 17.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.06 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? . . . . . 0 C--O 1.244 0.794 0 CA-C-O 118.311 -0.852 . . . . 0.0 109.965 169.296 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 . . . . . 0 N--CA 1.466 0.342 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 24.6 ttt -131.9 94.72 3.55 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 174.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.0 p -90.78 124.17 34.92 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.988 0.423 . . . . 0.0 110.697 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.6 m -118.73 150.17 21.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.891 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.459 ' OD2' ' HD2' ' A' ' 46' ' ' ARG . 35.7 t70 -102.15 125.66 48.91 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.44 ' HB ' ' HB ' ' A' ' 66' ' ' THR . 4.3 pt -119.09 130.07 74.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.043 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.594 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 1.5 tt -109.43 130.39 55.5 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -174.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.36 139.69 39.79 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.183 -174.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -85.96 -12.58 50.09 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.538 -1.21 . . . . 0.0 112.987 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -117.41 -51.09 2.52 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.4 p -86.29 -1.48 57.54 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 118.407 0.549 . . . . 0.0 112.432 -174.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.2 m120 54.91 82.5 0.09 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.821 1.248 . . . . 0.0 112.683 175.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 166.48 151.26 6.72 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -175.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.594 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 17.4 ptt180 -117.34 157.58 25.88 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -173.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.0 m -133.69 121.59 22.17 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.285 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.0 m -88.26 109.37 19.89 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 172.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.433 HG13 ' HE2' ' A' ' 59' ' ' LYS . 16.1 m -128.81 171.77 16.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.29 -1.323 . . . . 0.0 109.474 -172.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -75.8 138.59 41.27 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 174.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -66.29 121.1 14.49 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 123.859 0.725 . . . . 0.0 110.319 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -119.84 128.53 53.77 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.321 -1.309 . . . . 0.0 108.548 -176.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.7 mm -65.24 -36.4 77.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.122 0.569 . . . . 0.0 110.408 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -83.07 -6.94 59.68 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.582 -177.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.53 132.3 3.46 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.652 -0.785 . . . . 0.0 113.44 176.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -87.47 133.03 33.81 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 175.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -95.21 128.75 42.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.121 0.486 . . . . 0.0 110.682 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.8 t -66.35 127.4 32.11 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.857 172.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.433 ' HE2' HG13 ' A' ' 49' ' ' VAL . 67.8 mttm -89.03 26.96 1.45 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.18 0.514 . . . . 0.0 112.268 -176.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.3 mt -121.07 -43.19 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.5 p -125.32 0.69 7.73 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 59.69 28.24 17.64 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.5 t -116.31 160.63 20.21 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.243 -0.286 . . . . 0.0 110.234 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -97.88 27.92 4.2 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-O 122.883 1.325 . . . . 0.0 110.198 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -87.43 39.26 0.86 Allowed 'General case' 0 CA--C 1.551 0.982 0 O-C-N 121.019 -1.051 . . . . 0.0 111.279 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.44 ' HB ' ' HB ' ' A' ' 38' ' ' ILE . 22.7 p -114.48 144.11 43.86 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.276 -177.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.93 135.89 47.72 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.072 -0.967 . . . . 0.0 108.72 176.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.35 117.53 8.73 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.66 98.3 10.6 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.947 -175.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -133.23 48.33 0.96 Allowed Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.609 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -178.73 -117.48 0.54 Allowed Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.947 -0.461 . . . . 0.0 111.947 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -130.67 160.33 34.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.859 0.361 . . . . 0.0 110.902 178.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -133.5 149.48 51.71 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 172.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 42.3 mm -75.34 127.99 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.897 0.38 . . . . 0.0 110.659 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 t -91.15 100.5 13.32 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.337 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.3 tp -123.1 98.47 5.9 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.773 0.797 . . . . 0.0 110.124 175.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -127.02 -2.52 6.46 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.21 175.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -72.88 -54.83 7.72 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.161 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 . . . . . 0 C--O 1.242 0.683 0 CA-C-O 118.32 -0.848 . . . . 0.0 109.325 175.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 . . . . . 0 CA--C 1.518 -0.259 0 CA-C-O 120.788 0.328 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 58.5 ttp -77.95 117.01 18.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.105 175.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.509 ' HB ' HG21 ' A' ' 48' ' ' THR . 12.0 p -91.65 125.84 36.52 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.242 0.544 . . . . 0.0 110.345 176.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.2 m -122.07 146.84 26.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.33 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.41 134.07 33.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.647 176.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.604 HD13 HG21 ' A' ' 66' ' ' THR . 2.6 pt -130.44 125.16 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.283 177.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 tt -109.95 119.57 39.73 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -175.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.46 ' HA ' HG23 ' A' ' 66' ' ' THR . 1.3 m -60.26 144.16 51.0 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -175.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -86.32 -10.66 54.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.984 169.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -101.92 -54.69 2.66 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.1 p -99.52 -3.3 33.77 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 118.687 0.676 . . . . 0.0 112.305 -175.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 52.99 31.52 11.15 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.77 1.228 . . . . 0.0 113.697 -176.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -117.82 136.01 12.13 Favored Glycine 0 N--CA 1.442 -0.928 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.461 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 18.5 ptt85 -94.59 150.4 20.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.313 0.578 . . . . 0.0 111.081 -179.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.9 m -135.59 127.37 29.23 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.344 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.509 HG21 ' HB ' ' A' ' 35' ' ' THR . 2.1 m -86.37 108.53 18.5 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 171.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.3 m -131.77 171.58 17.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.802 -173.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -72.95 147.01 45.64 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -71.64 108.9 5.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.456 -177.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -110.52 116.66 31.77 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.58 -1.191 . . . . 0.0 108.515 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mp -61.5 -36.23 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 123.345 0.658 . . . . 0.0 111.324 -173.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -90.3 38.09 0.92 Allowed 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 121.008 0.432 . . . . 0.0 111.618 177.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.83 114.33 3.46 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 116.314 -0.403 . . . . 0.0 113.233 173.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.2 mpp? -71.38 133.56 46.05 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 173.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -100.28 122.82 43.68 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.22 0.534 . . . . 0.0 111.682 -176.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.1 t -69.17 127.35 32.79 Favored 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.666 171.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -89.91 0.99 56.75 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -172.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.5 mt -84.41 -36.09 11.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-O 120.807 0.337 . . . . 0.0 110.238 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 16.1 p -131.76 -8.11 3.58 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -175.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 70.96 34.44 1.9 Allowed 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.66 1.184 . . . . 0.0 112.451 176.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.4 m -112.65 141.85 45.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.063 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -95.2 0.71 54.3 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.991 177.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -72.18 87.0 1.08 Allowed 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.689 0.757 . . . . 0.0 109.914 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.604 HG21 HD13 ' A' ' 38' ' ' ILE . 17.3 p -142.34 164.19 30.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.456 -171.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.26 122.97 40.35 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.24 -1.346 . . . . 0.0 108.099 173.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -65.85 117.09 7.74 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.633 0.583 . . . . 0.0 110.515 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.1 116.21 13.36 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.465 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.75 -49.83 5.91 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.214 -178.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 140.75 146.6 4.81 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 121.409 -0.424 . . . . 0.0 112.101 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -89.19 107.29 18.97 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -110.24 84.8 1.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 37.4 mm -127.48 95.33 2.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 174.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.1 p -92.59 -46.93 7.37 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.063 177.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 25.7 tp -148.61 104.05 3.45 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.725 174.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -102.09 87.2 3.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.212 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -150.81 130.4 13.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.581 -173.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 . . . . . 0 C--O 1.243 0.73 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.619 174.672 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.882 ' HB2' ' HB3' ' A' ' 50' ' ' GLN . 7.7 m120 . . . . . 0 C--O 1.236 0.352 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -65.93 132.99 49.94 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.477 0.486 . . . . 0.0 110.719 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.1 p -90.04 122.84 33.4 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.768 0.794 . . . . 0.0 110.772 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -126.62 157.52 37.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.29 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -103.07 124.05 47.8 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.921 0.867 . . . . 0.0 110.996 178.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.57 HD12 HG21 ' A' ' 66' ' ' THR . 5.3 pt -121.08 133.89 66.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.497 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.616 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 1.5 tt -109.26 121.32 44.92 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -173.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.484 ' HA ' HG23 ' A' ' 66' ' ' THR . 0.0 OUTLIER -65.2 146.19 55.28 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -175.869 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -91.54 -22.41 20.37 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.537 172.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -91.45 -54.39 3.93 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 -175.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 9.3 p -96.48 -1.79 46.58 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 117.628 0.195 . . . . 0.0 110.945 -177.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 54.43 30.89 13.59 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.229 1.412 . . . . 0.0 114.076 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.43 144.33 15.01 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.616 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 15.9 ptt180 -97.25 148.19 23.36 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.512 0.672 . . . . 0.0 111.88 -177.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.9 m -125.93 138.61 53.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.21 176.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.0 m -98.72 108.0 20.58 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 172.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.4 m -133.04 169.2 22.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.336 -172.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.882 ' HB3' ' HB2' ' A' ' 33' ' ' ASN . 26.2 mt-30 -74.93 153.12 38.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.991 174.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -71.57 98.64 1.91 Allowed 'General case' 0 CA--C 1.523 -0.094 0 CA-C-O 121.882 0.848 . . . . 0.0 110.447 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.43 ' CE1' ' HB2' ' A' ' 54' ' ' LEU . 7.8 t-80 -95.23 117.13 29.72 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 114.359 -1.291 . . . . 0.0 107.78 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.1 mp -67.91 -27.61 38.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.371 -176.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.43 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 55.0 mt -92.4 10.75 28.63 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.48 108.25 1.96 Allowed Glycine 0 C--N 1.335 0.487 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.577 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.425 ' HG2' ' H ' ' A' ' 52' ' ' HIS . 72.9 mtm -70.8 118.4 13.53 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.322 0.582 . . . . 0.0 111.439 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -90.45 112.03 23.52 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.608 -171.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.5 t -64.59 120.31 12.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.414 -1.266 . . . . 0.0 109.641 167.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -86.53 17.15 4.02 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -174.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.8 mt -99.83 -30.83 3.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.995 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.8 p -140.88 -7.91 1.06 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 72.37 20.76 3.94 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 125.28 1.432 . . . . 0.0 112.708 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.3 t -107.6 145.83 32.75 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.952 0.406 . . . . 0.0 110.154 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -96.84 7.17 47.22 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.521 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -77.91 89.58 4.1 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.976 0.893 . . . . 0.0 109.303 177.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.57 HG21 HD12 ' A' ' 38' ' ' ILE . 11.0 p -141.01 168.71 19.13 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.121 -173.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.18 132.46 51.79 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 171.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -70.19 119.06 13.82 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.072 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.97 152.47 24.45 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.138 -173.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.31 -112.18 2.86 Favored Glycine 0 C--N 1.332 0.336 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.601 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.52 -146.77 18.33 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 121.247 -0.501 . . . . 0.0 112.096 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -129.97 99.26 5.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.587 0.708 . . . . 0.0 111.143 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -119.68 95.79 4.92 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 172.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.2 pt -131.74 152.46 37.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.801 176.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.4 m -89.24 75.97 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.38 0.609 . . . . 0.0 109.64 172.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.1 tp -92.53 94.54 9.12 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.928 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -156.28 98.62 1.86 Allowed 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.293 -1.321 . . . . 0.0 107.528 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -123.75 103.69 8.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.8 0.81 . . . . 0.0 110.683 -177.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 . . . . . 0 C--O 1.243 0.719 0 CA-C-O 117.494 -1.241 . . . . 0.0 110.869 -177.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 . . . . . 0 CA--C 1.536 0.417 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 41.8 ttp -72.45 100.45 2.7 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.327 0.584 . . . . 0.0 109.547 173.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.0 p -105.42 126.28 51.94 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.81 -175.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 m -112.82 141.59 27.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.484 -176.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -88.94 121.9 31.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.488 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.586 HD13 HG23 ' A' ' 66' ' ' THR . 20.7 pt -119.47 142.32 35.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.747 -172.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.514 ' HB2' ' HB1' ' A' ' 69' ' ' ALA . 0.6 OUTLIER -111.23 127.67 55.68 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.12 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.551 ' HA ' HG22 ' A' ' 66' ' ' THR . 0.5 OUTLIER -70.24 144.39 51.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.184 -0.916 . . . . 0.0 113.322 -172.415 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -91.69 -13.62 31.41 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.054 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -108.45 -53.45 2.63 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -177.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 p -96.41 -1.81 46.77 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 118.963 0.802 . . . . 0.0 112.83 -172.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 50.97 83.21 0.05 Allowed 'General case' 0 C--N 1.35 0.616 0 C-N-CA 124.496 1.119 . . . . 0.0 112.565 -174.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -179.91 142.93 5.36 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.149 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.447 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 15.2 ptt180 -98.83 154.14 18.25 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.392 0.615 . . . . 0.0 112.433 -175.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.9 m -141.44 133.65 27.91 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.244 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 m -97.58 108.25 20.93 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 171.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.8 m -138.97 173.58 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.886 -172.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -71.31 134.7 46.96 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.849 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -64.12 129.51 40.3 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.939 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -129.84 125.7 36.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.535 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mp -66.83 -30.96 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 122.582 0.353 . . . . 0.0 111.115 -175.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -86.94 16.12 5.25 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 176.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 107.31 123.86 5.1 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.161 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.431 ' HB3' HD12 ' A' ' 38' ' ' ILE . 4.5 mpp? -71.92 138.64 48.27 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 122.704 0.402 . . . . 0.0 110.886 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -85.07 106.41 16.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.256 0.551 . . . . 0.0 111.438 -174.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.4 t -64.74 125.02 23.48 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.591 171.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -88.16 8.72 25.66 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.5 mt -91.23 -35.78 7.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.388 176.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.0 p -133.91 -6.57 2.76 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -174.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 71.69 21.76 4.23 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 125.032 1.333 . . . . 0.0 112.608 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.5 t -102.16 146.1 28.44 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.275 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -91.1 -0.2 57.67 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.397 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -77.72 84.49 4.06 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.511 0.672 . . . . 0.0 109.734 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.586 HG23 HD13 ' A' ' 38' ' ' ILE . 17.8 p -144.27 145.47 32.05 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.042 -172.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -117.63 121.19 40.25 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 173.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.574 ' HA ' ' HA ' ' A' ' 38' ' ' ILE . 61.3 tt0 -52.17 118.18 3.32 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 124.583 1.177 . . . . 0.0 112.093 -174.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.514 ' HB1' ' HB2' ' A' ' 39' ' ' LEU . . . -67.2 111.07 3.74 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -175.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 159.82 130.87 1.18 Allowed Glycine 0 N--CA 1.443 -0.882 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.149 -177.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.64 -32.55 7.18 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.226 -0.512 . . . . 0.0 112.349 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.59 146.71 27.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.144 0.497 . . . . 0.0 110.557 179.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -117.28 111.85 19.96 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.792 175.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.404 HD12 HD13 ' A' ' 76' ' ' LEU . 8.8 tt -85.94 101.42 10.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 CA-C-O 122.427 1.108 . . . . 0.0 109.054 170.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.5 m -91.55 71.21 5.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.825 -1.079 . . . . 0.0 109.676 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.404 HD13 HD12 ' A' ' 74' ' ' ILE . 5.5 tt -78.03 114.27 16.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.104 -0.953 . . . . 0.0 108.769 -177.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -74.45 103.99 5.01 Favored 'General case' 0 C--N 1.332 -0.164 0 O-C-N 123.705 0.628 . . . . 0.0 109.784 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -117.31 141.37 48.39 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.398 -178.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 . . . . . 0 C--O 1.247 0.972 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 175.714 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 63.9 t30 . . . . . 0 N--CA 1.456 -0.163 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 15.1 tpt -101.53 107.53 18.85 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.681 0.277 . . . . 0.0 110.8 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.1 p -124.5 144.06 50.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.005 173.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 m -137.67 158.93 34.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 124.013 0.925 . . . . 0.0 110.105 176.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -98.71 129.98 45.18 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 174.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.605 HD13 HG22 ' A' ' 66' ' ' THR . 4.6 pt -128.63 128.1 67.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 121.362 0.601 . . . . 0.0 111.33 -178.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 tt -111.56 121.98 46.61 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -176.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.407 ' HA ' HG21 ' A' ' 66' ' ' THR . 1.3 m -61.86 148.23 44.04 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -175.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -85.19 -21.62 29.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.106 -1.406 . . . . 0.0 109.385 170.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -94.64 -56.74 2.68 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -176.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.4 p -95.95 -5.07 42.19 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 117.83 0.286 . . . . 0.0 110.936 -174.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 53.73 31.45 12.89 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 125.454 1.502 . . . . 0.0 113.089 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.64 135.94 12.81 Favored Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.427 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.472 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 0.6 OUTLIER -103.35 146.41 28.51 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.584 0.707 . . . . 0.0 111.953 -177.278 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.4 m -142.55 131.82 23.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.857 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.2 m -89.22 109.07 19.99 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 173.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.4 HG13 ' O ' ' A' ' 57' ' ' LYS . 9.1 m -134.88 172.26 16.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.44 -174.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -74.13 149.45 41.01 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.402 ' HA ' ' HG2' ' A' ' 56' ' ' MET . 78.5 t80 -71.55 104.69 3.37 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.756 0.788 . . . . 0.0 109.99 177.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -89.18 124.4 34.32 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 169.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.517 HD13 ' H ' ' A' ' 53' ' ' ILE . 3.3 mp -68.94 -32.93 56.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.846 -172.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.4 mt -91.75 17.41 9.03 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.673 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.55 109.91 1.57 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.713 177.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.402 ' HG2' ' HA ' ' A' ' 51' ' ' PHE . 46.4 mtm -68.58 131.89 46.0 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.455 0.702 . . . . 0.0 111.773 -177.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' O ' HG13 ' A' ' 49' ' ' VAL . 24.1 ttmm -85.64 115.07 23.11 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.694 -169.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.5 t -77.44 118.15 19.61 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 168.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -85.7 29.46 0.7 Allowed 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 122.241 1.019 . . . . 0.0 111.347 -173.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 28.4 mt -118.88 -40.46 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 O-C-N 121.698 -0.626 . . . . 0.0 109.47 174.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.1 p -129.37 -6.62 4.76 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -175.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 66.96 27.44 8.85 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 124.634 1.174 . . . . 0.0 112.613 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.2 t -104.69 143.96 32.37 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 172.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -100.62 6.6 44.15 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.772 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -76.33 89.46 3.17 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.668 0.747 . . . . 0.0 109.554 174.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.605 HG22 HD13 ' A' ' 38' ' ' ILE . 22.4 p -140.6 179.46 6.67 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.207 -169.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.66 131.18 25.4 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 171.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -66.57 119.19 11.28 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.342 0.592 . . . . 0.0 111.19 -177.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.71 85.38 7.29 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.34 -177.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.7 126.0 0.86 Allowed Glycine 0 N--CA 1.442 -0.966 0 N-CA-C 110.166 -1.174 . . . . 0.0 110.166 -176.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.67 -61.46 3.82 Favored Glycine 0 N--CA 1.454 -0.16 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 -170.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -107.04 97.3 7.09 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 166.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.0 tpt85 -88.43 97.49 11.09 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.5 pt -120.22 148.88 23.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.155 -177.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.2 p -84.37 -56.13 3.8 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 170.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.573 ' HB2' ' HG2' ' A' ' 79' ' ' GLN . 6.2 mp -128.43 165.83 19.89 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 170.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -70.91 -39.37 72.77 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -175.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -90.93 2.61 56.09 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.573 ' HG2' ' HB2' ' A' ' 76' ' ' LEU . 14.7 mm100 . . . . . 0 C--O 1.243 0.713 0 CA-C-O 119.062 -0.494 . . . . 0.0 109.864 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 p30 . . . . . 0 CA--C 1.534 0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 110.08 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 15.1 ttt -56.34 112.24 1.19 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.366 1.066 . . . . 0.0 111.2 177.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.6 p -91.05 124.48 35.31 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.532 0.682 . . . . 0.0 111.957 -172.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.9 m -131.36 140.21 48.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.327 176.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -86.2 124.01 32.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.931 0.872 . . . . 0.0 110.003 175.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.497 HD11 HG22 ' A' ' 66' ' ' THR . 1.2 pp -120.33 132.65 69.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.369 -177.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.612 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 2.1 tt -107.1 120.92 43.39 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 -170.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.51 144.14 57.41 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-N 114.933 -1.03 . . . . 0.0 113.273 -177.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -86.0 -13.0 48.85 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 113.493 -1.685 . . . . 0.0 109.399 170.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -99.52 -54.16 3.01 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.48 0.918 . . . . 0.0 113.48 -177.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.4 p -98.03 -3.37 38.26 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.557 0.617 . . . . 0.0 112.279 -172.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.8 t30 52.42 80.75 0.09 Allowed 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.62 1.168 . . . . 0.0 111.581 -177.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.64 144.73 4.46 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.743 -176.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 28.1 ptt180 -105.29 149.71 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.497 0.665 . . . . 0.0 112.622 -173.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.4 m -134.63 128.86 33.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.99 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.0 m -86.15 109.98 19.26 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 57' ' ' LYS . 11.3 m -138.14 172.2 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.058 -175.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.31 150.39 41.93 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 120.799 0.333 . . . . 0.0 110.694 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -70.53 120.43 16.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.405 -175.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -122.64 129.51 51.94 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.582 -173.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.9 mt -65.33 -32.17 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.305 -177.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -94.61 25.13 4.14 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.097 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.46 126.99 5.54 Favored Glycine 0 C--N 1.339 0.744 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.677 177.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.413 ' CB ' HG12 ' A' ' 38' ' ' ILE . 4.8 mpp? -71.21 129.41 38.84 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.971 0.415 . . . . 0.0 110.819 179.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.416 ' O ' HG12 ' A' ' 49' ' ' VAL . 39.7 ttmt -92.78 109.47 20.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.569 0.7 . . . . 0.0 112.004 -170.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.62 127.56 31.89 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.871 173.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.01 -2.82 57.35 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -174.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.6 mt -79.04 -37.53 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.553 178.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.2 p -140.9 -4.54 1.19 Allowed 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -171.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 70.36 20.23 6.15 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 125.131 1.372 . . . . 0.0 112.806 176.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.7 t -102.05 135.77 43.03 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.471 176.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -97.34 7.17 47.07 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.434 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -72.14 87.21 1.08 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 122.003 0.906 . . . . 0.0 108.932 172.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.497 HG22 HD11 ' A' ' 38' ' ' ILE . 20.4 p -142.82 166.31 24.98 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.636 -1.165 . . . . 0.0 109.881 -169.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.7 145.18 50.98 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 170.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.452 ' HA ' HG21 ' A' ' 38' ' ' ILE . 65.2 tt0 -70.04 116.68 10.7 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.067 0.46 . . . . 0.0 110.384 -177.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.612 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . . . -81.7 140.5 34.29 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.974 -176.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -136.69 112.54 0.96 Allowed Glycine 0 N--CA 1.432 -1.568 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.155 176.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.01 67.97 3.61 Favored Glycine 0 C--N 1.334 0.421 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 175.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -85.52 118.54 25.11 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.073 0.463 . . . . 0.0 110.716 -173.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -88.36 103.72 16.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.413 -0.812 . . . . 0.0 108.816 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.0 mt -92.06 124.06 44.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.475 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.7 m -80.79 114.82 19.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.49 97.24 7.5 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -90.85 -43.66 9.89 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.038 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 59.43 47.13 11.5 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 124.903 1.377 . . . . 0.0 110.245 -175.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.432 178.923 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 . . . . . 0 C--O 1.234 0.269 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.3 ttp -151.96 123.94 8.08 Favored 'General case' 0 CA--C 1.524 -0.043 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.0 p -103.32 127.6 50.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.019 0.438 . . . . 0.0 110.991 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.9 m -122.86 140.81 45.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.642 174.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -87.21 123.69 32.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 176.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.602 HD13 HG21 ' A' ' 66' ' ' THR . 9.1 pt -115.97 129.28 72.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.438 0.637 . . . . 0.0 111.516 -177.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 tt -111.22 124.04 51.42 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.497 -0.774 . . . . 0.0 108.914 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.8 m -67.49 148.42 51.53 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -176.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -79.12 -25.59 42.96 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.105 -1.407 . . . . 0.0 109.453 169.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.71 -57.07 2.87 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -173.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.0 p -91.64 -10.58 39.84 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 117.942 0.337 . . . . 0.0 111.605 -174.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 55.97 41.5 29.75 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.044 0.938 . . . . 0.0 111.322 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.84 137.97 9.98 Favored Glycine 0 N--CA 1.44 -1.071 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.353 -177.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 16.2 ptt180 -100.55 149.4 23.76 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 124.376 0.692 . . . . 0.0 111.47 -174.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.0 m -147.86 123.76 10.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.939 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.2 m -81.8 107.2 14.34 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 176.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.505 HG11 ' O ' ' A' ' 57' ' ' LYS . 34.2 m -130.8 171.12 18.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.129 -172.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -83.54 146.95 28.06 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 176.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -69.02 106.8 2.9 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.801 0.688 . . . . 0.0 109.869 178.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.436 ' CE1' ' HB2' ' A' ' 54' ' ' LEU . 15.4 t-80 -108.48 128.37 54.74 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.164 -176.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.9 mm -65.29 -35.16 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.136 -176.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.436 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 5.0 mp -92.83 33.36 1.16 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.998 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.82 128.71 6.45 Favored Glycine 0 C--N 1.337 0.612 0 C-N-CA 121.591 -0.338 . . . . 0.0 113.268 176.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 71.6 mtm -85.98 121.94 29.32 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.263 0.554 . . . . 0.0 110.686 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.505 ' O ' HG11 ' A' ' 49' ' ' VAL . 22.8 ttmm -92.15 108.65 20.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.087 -170.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.49 133.17 53.43 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.63 168.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.451 ' HE3' HG13 ' A' ' 49' ' ' VAL . 35.6 mmtp -83.19 -9.18 59.3 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -170.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.2 mt -90.05 -30.94 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.426 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.9 p -144.2 -4.45 0.81 Allowed 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -176.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 63.98 21.34 12.57 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -178.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.4 t -88.23 144.93 26.16 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 121.198 0.523 . . . . 0.0 110.773 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -101.9 -2.22 30.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.499 -1.228 . . . . 0.0 110.162 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -78.73 86.83 4.65 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.933 0.873 . . . . 0.0 108.756 171.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.602 HG21 HD13 ' A' ' 38' ' ' ILE . 14.1 p -138.35 174.91 10.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.963 -171.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.32 163.3 31.32 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.57 -1.196 . . . . 0.0 108.021 170.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -77.78 144.32 37.23 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.609 -0.436 . . . . 0.0 109.998 175.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.94 166.24 23.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.72 0.771 . . . . 0.0 112.91 -171.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 102.99 -57.39 0.58 Allowed Glycine 0 N--CA 1.442 -0.959 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -168.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.19 -100.83 1.07 Allowed Glycine 0 C--N 1.341 0.809 0 O-C-N 124.192 0.584 . . . . 0.0 112.54 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -92.84 123.97 36.5 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 176.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.69 98.79 7.87 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 174.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.3 mt -94.19 146.03 7.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.235 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.3 m -67.16 96.47 0.46 Allowed 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.161 0.505 . . . . 0.0 110.128 172.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.0 tp -156.66 117.58 3.71 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.917 -171.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -91.05 95.12 9.93 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 173.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -147.6 112.48 5.42 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.637 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 . . . . . 0 C--O 1.252 1.214 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.594 178.097 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 . . . . . 0 C--O 1.241 0.618 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -67.42 104.28 1.5 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.046 0.45 . . . . 0.0 109.864 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.491 ' HB ' HG21 ' A' ' 48' ' ' THR . 6.2 p -138.58 128.43 25.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.543 -176.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.4 m -119.24 144.13 28.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.902 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -79.46 128.32 33.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.631 0.729 . . . . 0.0 109.363 174.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.611 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 1.6 pp -124.24 131.81 72.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.463 -172.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.436 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -107.49 119.32 39.09 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.923 -166.398 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.1 m -62.1 141.79 57.94 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.713 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -86.67 -14.23 43.19 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.288 169.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -95.38 -54.34 3.43 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 4.6 p -101.8 -3.39 28.14 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.186 0.448 . . . . 0.0 112.132 -175.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 55.03 47.26 22.46 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.162 0.985 . . . . 0.0 112.552 -177.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.64 134.71 7.61 Favored Glycine 0 CA--C 1.506 -0.512 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.755 -177.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.611 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 36.8 ptt180 -95.87 145.36 25.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.467 0.651 . . . . 0.0 111.678 -179.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.7 m -136.46 135.68 38.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.523 177.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.491 HG21 ' HB ' ' A' ' 35' ' ' THR . 3.0 m -90.2 106.89 18.79 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.851 178.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.8 m -141.13 173.77 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 114.768 -1.105 . . . . 0.0 108.309 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -72.29 155.57 40.05 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 120.746 0.308 . . . . 0.0 110.48 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -75.35 94.29 3.03 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.881 0.848 . . . . 0.0 110.529 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.464 ' CE1' ' HB2' ' A' ' 54' ' ' LEU . 36.9 t-80 -92.54 113.25 25.48 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.182 174.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.4 mt -64.1 -26.01 39.46 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 O-C-N 123.796 0.685 . . . . 0.0 112.315 -167.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.464 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 6.0 mp -87.11 16.11 5.43 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.73 118.37 3.14 Favored Glycine 0 C--N 1.334 0.433 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.424 ' HG3' ' H ' ' A' ' 52' ' ' HIS . 4.5 mpp? -79.66 148.7 31.51 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.924 0.392 . . . . 0.0 111.131 -177.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -82.31 111.18 18.14 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 121.631 0.729 . . . . 0.0 111.782 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.9 t -82.0 118.24 22.83 Favored 'General case' 0 C--O 1.209 -1.064 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 164.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.436 ' HA ' ' OE2' ' A' ' 62' ' ' GLU . 50.9 mtpt -82.88 -5.44 59.01 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 122.376 0.27 . . . . 0.0 111.665 -172.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 43.2 mt -80.32 -33.26 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 122.759 0.424 . . . . 0.0 110.8 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.0 p -135.94 -9.8 2.06 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -177.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.436 ' OE2' ' HA ' ' A' ' 59' ' ' LYS . 20.9 mm-40 69.18 29.75 4.55 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.056 1.342 . . . . 0.0 112.742 178.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.2 t -98.98 145.73 26.75 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.467 173.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -104.59 6.26 34.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.584 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -80.97 82.57 6.91 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 122.367 1.08 . . . . 0.0 108.841 173.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.5 p -137.96 150.48 47.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.206 -171.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.34 153.11 23.24 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 171.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.572 ' HA ' HG22 ' A' ' 38' ' ' ILE . 58.2 tt0 -81.81 120.46 25.19 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.8 -71.18 0.56 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.141 -175.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.44 87.94 0.86 Allowed Glycine 0 C--N 1.337 0.617 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.736 -178.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.13 -48.11 78.49 Favored Glycine 0 C--N 1.334 0.418 0 N-CA-C 114.47 0.548 . . . . 0.0 114.47 -175.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -118.0 126.9 53.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.983 0.42 . . . . 0.0 111.259 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -108.37 117.4 34.07 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.727 175.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.0 pt -110.81 95.5 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.776 0.798 . . . . 0.0 111.354 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 m -95.83 121.77 37.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.029 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.6 tt -121.79 110.01 15.39 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.358 0.599 . . . . 0.0 111.286 -171.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -118.53 121.02 39.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.903 170.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -105.52 97.67 7.48 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.246 -168.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.186 -0.911 . . . . 0.0 109.685 173.091 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 . . . . . 0 C--O 1.237 0.437 0 CA-C-O 120.628 0.252 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 60.6 ttp -64.73 121.34 14.3 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.283 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.8 p -89.66 122.37 32.72 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.253 0.549 . . . . 0.0 111.113 -176.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.4 m -129.4 140.0 50.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.07 -176.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.573 ' HB3' ' HG1' ' A' ' 48' ' ' THR . 9.6 p-10 -94.59 121.53 36.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 122.021 0.915 . . . . 0.0 110.176 177.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.572 HD12 HG23 ' A' ' 66' ' ' THR . 1.9 pt -113.03 128.23 69.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.173 -176.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.523 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 3.3 tt -108.56 126.56 53.08 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.059 -169.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.454 ' HA ' HG22 ' A' ' 66' ' ' THR . 1.7 m -66.75 149.04 51.11 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -175.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -88.32 -12.2 44.15 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 113.648 -1.614 . . . . 0.0 109.418 169.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -101.31 -55.82 2.45 Favored 'General case' 0 C--N 1.351 0.637 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.6 p -97.62 -4.46 37.51 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.264 0.484 . . . . 0.0 111.398 -178.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 55.03 31.93 17.16 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 124.912 1.285 . . . . 0.0 113.673 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -125.69 146.41 16.18 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.468 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 25.6 ptt180 -104.6 150.99 24.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.333 0.587 . . . . 0.0 112.029 -172.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 51.1 m -137.15 126.14 24.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.206 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.573 ' HG1' ' HB3' ' A' ' 37' ' ' ASP . 6.0 m -87.18 110.62 20.27 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.701 0.762 . . . . 0.0 109.985 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.429 HG22 ' HB3' ' A' ' 56' ' ' MET . 4.3 m -128.82 173.05 14.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.755 -176.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -74.26 154.76 38.83 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 171.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -76.51 119.37 20.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.251 0.548 . . . . 0.0 110.833 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -113.86 126.74 55.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.209 177.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.6 mp -65.52 -34.61 71.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 122.613 0.365 . . . . 0.0 111.094 -173.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 54' ' ' LEU . 3.5 mm? -95.72 27.55 3.44 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.91 134.9 7.75 Favored Glycine 0 C--N 1.338 0.686 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.779 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.429 ' HB3' HG22 ' A' ' 49' ' ' VAL . 5.1 mpp? -95.5 172.77 7.87 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.779 0.324 . . . . 0.0 111.467 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -117.28 131.72 56.76 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.442 0.639 . . . . 0.0 112.547 -176.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.6 t -81.67 122.61 27.85 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 166.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -77.04 -15.35 59.63 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.681 0.392 . . . . 0.0 111.945 -175.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 20.4 mt -79.87 -35.77 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 123.084 0.554 . . . . 0.0 111.385 -174.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.0 p -140.31 4.97 2.04 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 65.82 30.32 10.09 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.394 1.078 . . . . 0.0 112.996 174.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.8 t -104.94 144.09 32.27 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.392 -175.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -96.66 -5.46 38.84 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.851 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -74.16 83.06 1.82 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.867 0.841 . . . . 0.0 109.439 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.572 HG23 HD12 ' A' ' 38' ' ' ILE . 22.3 p -144.93 161.67 38.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.702 -1.135 . . . . 0.0 110.495 -171.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.38 153.04 46.72 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 171.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -70.89 122.22 19.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 117.992 0.36 . . . . 0.0 110.218 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.523 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . -77.18 116.79 18.11 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.902 -175.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -175.36 -51.05 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.66 133.33 1.74 Allowed Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.562 177.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -93.65 108.86 20.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 174.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 73' ' ' ARG . 13.5 tpt180 -80.93 100.8 9.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.89 0.852 . . . . 0.0 110.532 -178.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.6 pt -125.9 108.69 19.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 114.257 -1.338 . . . . 0.0 109.134 177.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.2 m -77.77 102.7 7.3 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.234 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.0 tp -105.4 142.96 34.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.633 -177.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -84.89 68.75 10.62 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.728 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -133.27 128.58 36.12 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.612 176.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 C--O 1.249 1.076 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -176.561 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 . . . . . 0 C--O 1.236 0.383 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 48.1 ttp -64.09 118.79 9.03 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 172.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.2 p -91.81 134.07 35.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.234 177.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.6 m -119.51 152.76 22.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.609 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -107.63 124.08 49.43 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.548 HD13 HG22 ' A' ' 66' ' ' THR . 11.5 pt -117.17 133.34 64.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 123.235 0.334 . . . . 0.0 110.97 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.572 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 1.1 tt -110.67 127.73 55.41 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -177.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.425 ' HA ' HG21 ' A' ' 66' ' ' THR . 1.3 m -66.44 145.33 55.79 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -96.28 16.59 17.91 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 114.288 -1.323 . . . . 0.0 110.356 169.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.406 ' H ' ' HB3' ' A' ' 40' ' ' CYS . 1.4 p30 -126.5 -54.56 1.45 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.422 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.6 p -98.1 -1.95 41.21 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -173.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 56.07 31.08 17.44 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.934 1.294 . . . . 0.0 112.299 -176.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.92 137.73 10.63 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.503 -177.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.572 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 13.5 ptp180 -100.48 152.29 20.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.169 0.509 . . . . 0.0 111.26 -176.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.1 m -136.46 118.66 15.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.618 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.8 m -84.32 108.87 17.41 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 171.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.6 m -120.87 172.11 8.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 114.532 -1.213 . . . . 0.0 109.27 -176.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -76.78 143.62 39.72 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 173.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -68.93 116.17 9.09 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.574 0.702 . . . . 0.0 109.853 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -133.24 116.68 16.48 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 114.364 -1.289 . . . . 0.0 108.712 -170.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.5 mm -61.49 -40.62 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 124.009 0.818 . . . . 0.0 110.931 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -90.82 37.4 0.92 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.468 -178.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.17 113.0 2.78 Favored Glycine 0 C--N 1.335 0.524 0 C-N-CA 120.464 -0.874 . . . . 0.0 114.298 168.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.418 ' H ' ' HE1' ' A' ' 64' ' ' TYR . 52.4 mtm -108.2 113.18 26.1 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 170.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -118.59 130.05 55.67 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.092 -169.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -62.89 123.03 17.45 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.342 175.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.418 ' HA ' ' OE1' ' A' ' 62' ' ' GLU . 64.5 mttm -87.2 1.93 51.58 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -172.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.1 mt -81.54 -35.06 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.053 177.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.6 p -138.78 -8.91 1.39 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -174.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.418 ' OE1' ' HA ' ' A' ' 59' ' ' LYS . 10.7 mm-40 69.67 30.75 3.81 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 124.746 1.218 . . . . 0.0 112.324 176.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.2 t -100.83 144.22 30.04 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.253 174.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.418 ' HE1' ' H ' ' A' ' 56' ' ' MET . 60.2 t80 -91.26 -14.84 30.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.74 178.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -71.14 89.25 0.83 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.789 0.804 . . . . 0.0 110.855 -177.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.548 HG22 HD13 ' A' ' 38' ' ' ILE . 21.0 p -141.44 156.61 45.76 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.799 -172.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.3 119.73 31.98 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.205 -1.361 . . . . 0.0 107.652 175.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.428 ' HA ' ' HA ' ' A' ' 38' ' ' ILE . 25.0 tt0 -64.63 103.41 0.68 Allowed 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.741 0.651 . . . . 0.0 111.085 -174.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.43 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . -87.38 149.48 24.45 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.645 -169.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 75.43 -99.77 1.23 Allowed Glycine 0 CA--C 1.506 -0.478 0 CA-C-N 115.461 -0.791 . . . . 0.0 112.191 178.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.61 82.18 1.43 Allowed Glycine 0 N--CA 1.443 -0.895 0 O-C-N 124.132 0.548 . . . . 0.0 111.878 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -77.86 124.65 28.26 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.7 0.762 . . . . 0.0 109.776 174.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.46 107.34 18.02 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.795 -174.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.8 mt -91.69 94.41 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-N 114.44 -1.254 . . . . 0.0 108.587 173.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.2 m -101.43 -58.09 1.95 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.977 -1.01 . . . . 0.0 108.371 173.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.5 tp -120.5 100.49 7.17 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.148 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -154.39 18.07 0.48 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.529 1.156 . . . . 0.0 108.685 177.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -113.02 172.79 6.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.161 -171.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 . . . . . 0 C--O 1.244 0.77 0 CA-C-O 118.981 -0.533 . . . . 0.0 110.056 178.691 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.451 -0.403 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 p -100.81 125.69 47.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.87 175.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.1 m -115.04 143.84 23.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.27 172.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.41 ' OD2' ' HD2' ' A' ' 46' ' ' ARG . 37.7 t70 -94.19 122.16 36.44 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.6 pt -115.51 146.66 19.64 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 O-C-N 123.387 0.429 . . . . 0.0 110.975 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.487 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -110.38 150.07 29.34 Favored 'General case' 0 C--O 1.211 -0.973 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.846 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.525 ' HA ' HG22 ' A' ' 66' ' ' THR . 1.9 t -94.28 147.74 22.9 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 120.901 0.382 . . . . 0.0 111.008 -175.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -89.74 -29.34 18.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.144 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -97.83 -42.52 7.54 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -176.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.3 p -103.48 -3.04 25.9 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 119.789 -0.764 . . . . 0.0 111.751 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 55.9 31.34 17.63 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 174.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -117.02 148.59 18.85 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.487 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 23.6 ptt180 -104.02 143.9 32.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.831 0.824 . . . . 0.0 112.105 -175.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.6 m -129.37 124.27 33.83 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 114.073 -1.421 . . . . 0.0 109.411 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.2 m -87.47 107.35 18.52 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 172.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 m -126.93 175.21 9.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 114.486 -1.234 . . . . 0.0 108.308 -176.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -74.05 157.45 36.06 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.842 171.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -77.63 110.48 12.48 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 173.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -122.33 112.02 17.61 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.706 -1.134 . . . . 0.0 108.374 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.5 mt -68.63 -30.23 46.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.054 -175.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.2 mt -81.91 -0.03 41.95 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.65 118.71 1.83 Allowed Glycine 0 C--N 1.339 0.723 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.472 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 64.4 mtm -98.28 109.04 21.86 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -79.31 123.51 27.53 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.481 0.658 . . . . 0.0 111.604 -174.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 44.8 t -72.27 118.63 15.4 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.303 168.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -78.06 -3.63 43.19 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.962 -175.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.1 mt -91.64 -33.47 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.078 -175.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 22.3 p -143.2 4.26 1.41 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -172.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 68.65 21.52 7.89 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 124.02 0.928 . . . . 0.0 113.152 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.6 t -107.67 145.82 32.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.334 0.588 . . . . 0.0 110.913 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -98.09 2.62 48.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.08 -0.963 . . . . 0.0 111.012 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -79.16 88.06 4.88 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.99 0.9 . . . . 0.0 109.382 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.525 HG22 ' HA ' ' A' ' 40' ' ' CYS . 7.2 p -141.0 151.6 44.26 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.888 -173.256 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -111.56 -179.71 3.78 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 173.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -96.15 130.11 43.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 118.777 0.717 . . . . 0.0 110.157 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.252 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.816 179.091 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.49 ' N ' HE21 ' A' ' 50' ' ' GLN . 61.9 ttp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.6 p -98.19 124.9 43.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.492 0.663 . . . . 0.0 111.911 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.1 m -115.89 158.82 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.845 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -97.68 127.86 43.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.106 174.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.678 HD12 HG21 ' A' ' 66' ' ' THR . 12.2 pt -119.38 131.49 71.86 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.85 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.963 177.146 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.411 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 1.6 tt -112.2 122.7 48.47 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -177.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.553 ' HA ' HG22 ' A' ' 66' ' ' THR . 1.4 m -66.53 151.86 46.39 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -177.073 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -95.03 -6.13 42.92 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 113.596 -1.638 . . . . 0.0 110.102 171.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.65 -56.82 2.22 Favored 'General case' 0 C--N 1.344 0.33 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -176.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 p -91.02 -9.99 43.86 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 117.971 0.35 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.1 m120 57.82 34.28 24.2 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 124.749 1.281 . . . . 0.0 111.805 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.36 148.08 16.68 Favored Glycine 0 N--CA 1.441 -1.03 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.573 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.449 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 11.3 ptm180 -98.02 156.97 16.39 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.402 0.62 . . . . 0.0 111.633 -175.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.2 m -142.99 128.29 18.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.348 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -87.5 108.46 19.04 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 171.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.517 HG21 ' HB3' ' A' ' 56' ' ' MET . 17.4 m -129.6 160.32 40.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.181 -171.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.49 HE21 ' N ' ' A' ' 34' ' ' MET . 12.5 tm0? -74.9 136.39 41.45 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 172.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -64.36 110.0 2.11 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.955 0.883 . . . . 0.0 111.378 -176.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -104.57 120.88 42.31 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 114.187 -1.37 . . . . 0.0 108.606 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.5 mp -66.41 -30.21 49.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-O 121.221 0.534 . . . . 0.0 110.577 -175.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -88.09 11.19 16.81 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.525 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.96 121.18 3.33 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 121.437 -0.411 . . . . 0.0 113.208 175.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.517 ' HB3' HG21 ' A' ' 49' ' ' VAL . 4.6 mpp? -75.24 138.22 41.76 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 122.557 0.343 . . . . 0.0 110.465 176.336 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -108.26 123.63 49.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.361 0.6 . . . . 0.0 111.006 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.82 131.62 43.3 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.977 178.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -75.85 -16.22 60.1 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.6 mt -74.05 -45.97 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 122.76 0.424 . . . . 0.0 111.132 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 15.4 p -135.63 -0.72 2.59 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -168.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 67.47 23.31 9.08 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 124.61 1.164 . . . . 0.0 112.96 175.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.5 t -96.58 148.02 23.27 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.308 0.575 . . . . 0.0 110.448 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -98.14 -8.63 27.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.367 -1.288 . . . . 0.0 111.085 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -75.75 91.87 2.97 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-O 121.691 0.758 . . . . 0.0 110.253 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.678 HG21 HD12 ' A' ' 38' ' ' ILE . 17.7 p -144.48 170.41 16.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.202 -171.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -128.29 144.86 51.17 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 172.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -78.04 115.51 17.83 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 118.495 0.589 . . . . 0.0 110.004 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . . . . . . 0 C--O 1.238 0.484 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.675 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.1 ptm . . . . . 0 C--O 1.234 0.284 0 CA-C-O 121.014 0.435 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 p -97.85 124.73 42.37 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.785 0.803 . . . . 0.0 110.817 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.5 m -118.15 157.03 19.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.071 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.447 ' OD2' ' HD2' ' A' ' 46' ' ' ARG . 32.6 t70 -107.95 125.77 51.9 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.654 HD12 HG21 ' A' ' 66' ' ' THR . 3.4 pt -123.33 132.04 72.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.055 -178.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.544 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 2.4 tt -109.74 126.3 53.59 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -176.192 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.412 ' HB3' ' H ' ' A' ' 43' ' ' CYS . 4.5 m -69.12 144.33 53.91 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -85.69 -20.1 29.89 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.244 -1.344 . . . . 0.0 109.671 167.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -91.58 -47.14 7.57 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -173.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.412 ' H ' ' HB3' ' A' ' 40' ' ' CYS . 9.2 p -104.19 -2.87 25.13 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.483 0.583 . . . . 0.0 111.421 -178.233 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 57.92 31.47 20.62 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.387 1.075 . . . . 0.0 112.666 -177.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.2 142.34 13.78 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 121.131 -0.557 . . . . 0.0 111.995 -178.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.544 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 15.4 ptt180 -104.2 153.52 20.87 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.584 0.706 . . . . 0.0 111.903 -176.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 m -141.99 141.28 32.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.503 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.6 m -95.32 108.61 20.79 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.614 0.721 . . . . 0.0 109.112 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.483 HG11 ' O ' ' A' ' 57' ' ' LYS . 29.2 m -128.39 172.84 14.39 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.639 0 CA-C-N 114.521 -1.218 . . . . 0.0 108.999 -176.056 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -74.99 152.47 38.74 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 118.226 0.466 . . . . 0.0 110.41 175.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -70.05 110.51 5.14 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.458 0.647 . . . . 0.0 109.572 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -116.86 119.57 35.8 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.658 -1.155 . . . . 0.0 109.551 -172.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mp -69.99 -27.87 34.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.57 -176.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.9 mt -88.54 16.71 6.17 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.248 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.52 122.59 4.4 Favored Glycine 0 C--N 1.334 0.468 0 N-CA-C 111.964 -0.455 . . . . 0.0 111.964 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.402 ' HB3' HD13 ' A' ' 38' ' ' ILE . 65.0 mtm -88.71 127.21 35.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.411 0.624 . . . . 0.0 111.233 -177.182 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.483 ' O ' HG11 ' A' ' 49' ' ' VAL . 37.9 ttpt -103.74 113.52 27.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.452 -169.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 137.64 56.07 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.594 171.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -80.44 -11.24 59.71 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.997 0.739 . . . . 0.0 112.997 -171.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.7 mt -82.73 -35.41 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.988 -176.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.9 p -136.54 -11.42 1.84 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -173.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 67.39 26.84 8.3 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.68 1.192 . . . . 0.0 113.214 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.9 m -98.66 153.29 18.81 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.473 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -103.06 5.04 37.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.545 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -78.57 81.4 4.9 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.654 HG21 HD12 ' A' ' 38' ' ' ILE . 20.5 p -138.34 157.91 45.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.825 0.822 . . . . 0.0 112.039 -172.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.12 132.7 51.81 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 113.967 -1.469 . . . . 0.0 107.576 171.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -69.16 118.43 12.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.09 0.471 . . . . 0.0 111.095 -175.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.253 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.541 179.232 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.8 p -115.72 126.78 54.52 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.694 -172.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.4 m -118.35 144.58 26.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.189 172.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.469 ' HB3' ' HB3' ' A' ' 69' ' ' ALA . 1.1 t70 -93.06 133.47 36.19 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 175.193 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.545 HD12 HG21 ' A' ' 66' ' ' THR . 8.3 pt -120.33 132.63 69.44 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 O-C-N 123.301 0.375 . . . . 0.0 110.586 178.191 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.636 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 1.3 tt -110.14 127.35 54.86 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -177.113 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.556 ' HA ' HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -67.27 148.43 51.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.971 -1.013 . . . . 0.0 113.006 -175.823 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -93.29 -19.26 21.55 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.846 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -100.9 -54.89 2.7 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -176.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.1 p -95.04 -2.32 50.45 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.14 0.427 . . . . 0.0 112.115 -174.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 51.04 43.58 28.94 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 124.488 1.115 . . . . 0.0 112.954 -175.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -127.03 129.71 6.63 Favored Glycine 0 N--CA 1.436 -1.359 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.444 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.636 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 12.7 ptm180 -96.49 154.68 17.13 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.507 0.67 . . . . 0.0 111.967 -178.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.5 m -139.72 121.66 15.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.611 -177.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 m -80.44 109.01 14.53 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.0 m -129.13 171.59 16.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.065 -171.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -85.78 147.25 26.41 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 172.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -66.63 117.48 8.85 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.36 0.6 . . . . 0.0 110.644 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -108.29 128.15 54.49 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.594 -1.185 . . . . 0.0 108.733 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 mp -63.51 -34.75 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.515 0.726 . . . . 0.0 110.852 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.66 12.17 11.26 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.722 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.616 ' HA3' ' HE1' ' A' ' 64' ' ' TYR . . . 100.66 134.02 8.36 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.441 -0.409 . . . . 0.0 112.333 177.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -78.67 146.45 34.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.025 0.441 . . . . 0.0 110.434 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -111.46 127.68 55.76 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.04 -174.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 18.5 t -65.42 124.1 21.39 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.345 172.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -86.96 13.6 8.83 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -173.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 21.4 mt -114.96 -42.66 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.67 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.0 p -126.26 -2.99 6.9 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 120.362 -0.535 . . . . 0.0 112.136 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 59.11 54.59 4.83 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.476 1.11 . . . . 0.0 112.979 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 99.2 p -116.47 154.94 29.47 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.951 176.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.616 ' HE1' ' HA3' ' A' ' 55' ' ' GLY . 77.9 t80 -89.21 -13.64 37.79 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.961 173.255 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -73.62 80.8 1.51 Allowed 'General case' 0 C--O 1.24 0.582 0 CA-C-O 122.125 0.964 . . . . 0.0 110.666 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.556 HG22 ' HA ' ' A' ' 40' ' ' CYS . 9.5 p -145.42 151.07 37.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.313 -1.312 . . . . 0.0 109.873 -174.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.46 177.81 4.57 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 107.529 -1.285 . . . . 0.0 107.529 168.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -88.5 133.48 34.13 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 172.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.514 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.264 0.554 . . . . 0.0 110.996 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 C--O 1.22 -0.493 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.1 p -108.06 126.45 52.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.793 0.33 . . . . 0.0 111.328 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.7 m -123.4 147.02 27.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.484 175.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -96.38 129.52 43.71 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 174.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.613 HD13 HG21 ' A' ' 66' ' ' THR . 1.4 pp -129.12 146.81 33.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.734 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -173.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.0 mt -109.21 133.68 52.71 Favored 'General case' 0 CA--C 1.512 -0.505 0 O-C-N 123.762 0.664 . . . . 0.0 109.364 177.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.507 ' HA ' HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -72.07 145.28 48.33 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.619 -176.716 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -97.11 8.9 43.55 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.701 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -127.43 -55.56 1.33 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.229 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 8.8 p -96.74 -5.28 39.01 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 118.475 0.579 . . . . 0.0 110.718 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.419 ' H ' ' HB3' ' A' ' 40' ' ' CYS . 3.3 m-20 57.8 30.52 19.13 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.435 1.494 . . . . 0.0 113.988 175.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.21 151.05 18.53 Favored Glycine 0 C--N 1.336 0.551 0 C-N-CA 121.271 -0.49 . . . . 0.0 111.993 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.498 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 8.6 ptp180 -94.51 154.77 17.24 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.313 0.578 . . . . 0.0 112.082 -176.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.4 m -147.82 126.45 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.605 175.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 m -85.95 108.11 18.05 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 173.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.5 m -142.46 175.11 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.102 -171.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -73.46 138.43 45.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.715 178.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -67.37 121.15 15.13 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.785 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -132.15 121.94 24.53 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 113.836 -1.529 . . . . 0.0 108.086 -173.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.1 mp -67.63 -27.59 38.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 123.031 0.532 . . . . 0.0 110.954 -173.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -89.59 28.66 1.26 Allowed 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.42 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.813 ' HA3' ' HB3' ' A' ' 64' ' ' TYR . . . 98.7 132.64 7.72 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 116.152 -0.477 . . . . 0.0 112.178 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -80.23 135.49 36.27 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.787 0.327 . . . . 0.0 110.291 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.02 110.53 6.57 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 121.731 0.777 . . . . 0.0 111.374 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.5 t -81.02 124.21 28.99 Favored 'General case' 0 C--O 1.212 -0.892 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 169.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -82.86 -0.51 48.51 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -173.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.9 mt -91.06 -33.21 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.2 p -141.97 0.02 1.35 Allowed 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -175.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 65.11 20.95 12.13 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 125.155 1.382 . . . . 0.0 113.301 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.4 t -90.82 147.38 23.23 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.04 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.813 ' HB3' ' HA3' ' A' ' 55' ' ' GLY . 81.6 m-85 -101.11 -3.43 29.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.451 -178.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -77.79 90.62 4.06 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.515 0.674 . . . . 0.0 109.588 178.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.613 HG21 HD13 ' A' ' 38' ' ' ILE . 21.0 p -143.66 143.76 31.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.928 -171.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.31 147.11 41.87 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 173.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.509 ' HA ' HG22 ' A' ' 38' ' ' ILE . 53.8 tt0 -64.81 127.51 31.87 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.249 0.547 . . . . 0.0 111.939 -173.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.2 0 CA-C-N 115.105 -0.952 . . . . 0.0 113.404 -167.661 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 24.6 ttt . . . . . 0 N--CA 1.448 -0.546 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.0 p -90.78 124.17 34.92 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.988 0.423 . . . . 0.0 110.697 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.6 m -118.73 150.17 21.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.891 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.473 ' OD2' ' HD2' ' A' ' 46' ' ' ARG . 35.7 t70 -102.15 125.66 48.91 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.384 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.459 ' HB ' ' HB ' ' A' ' 66' ' ' THR . 4.3 pt -119.09 130.07 74.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.043 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.623 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 1.5 tt -109.43 130.39 55.5 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -174.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.36 139.69 39.79 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.183 -174.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -85.96 -12.58 50.09 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.538 -1.21 . . . . 0.0 112.987 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -117.41 -51.09 2.52 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.4 p -86.29 -1.48 57.54 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 118.407 0.549 . . . . 0.0 112.432 -174.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.2 m120 54.91 82.5 0.09 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.821 1.248 . . . . 0.0 112.683 175.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 166.48 151.26 6.72 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -175.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.623 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 17.4 ptt180 -117.34 157.58 25.88 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -173.175 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.0 m -133.69 121.59 22.17 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.285 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.0 m -88.26 109.37 19.89 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 172.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.481 HG12 ' HE2' ' A' ' 59' ' ' LYS . 16.1 m -128.81 171.77 16.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.29 -1.323 . . . . 0.0 109.474 -172.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -75.8 138.59 41.27 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 174.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -66.29 121.1 14.49 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 123.859 0.725 . . . . 0.0 110.319 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -119.84 128.53 53.77 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.321 -1.309 . . . . 0.0 108.548 -176.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.7 mm -65.24 -36.4 77.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.122 0.569 . . . . 0.0 110.408 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -83.07 -6.94 59.68 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.582 -177.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.53 132.3 3.46 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.652 -0.785 . . . . 0.0 113.44 176.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -87.47 133.03 33.81 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 175.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -95.21 128.75 42.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.121 0.486 . . . . 0.0 110.682 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.8 t -66.35 127.4 32.11 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.857 172.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.481 ' HE2' HG12 ' A' ' 49' ' ' VAL . 67.8 mttm -89.03 26.96 1.45 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.18 0.514 . . . . 0.0 112.268 -176.083 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.3 mt -121.07 -43.19 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.5 p -125.32 0.69 7.73 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 59.69 28.24 17.64 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.5 t -116.31 160.63 20.21 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.243 -0.286 . . . . 0.0 110.234 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -97.88 27.92 4.2 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-O 122.883 1.325 . . . . 0.0 110.198 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -87.43 39.26 0.86 Allowed 'General case' 0 CA--C 1.551 0.982 0 O-C-N 121.019 -1.051 . . . . 0.0 111.279 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.459 ' HB ' ' HB ' ' A' ' 38' ' ' ILE . 22.7 p -114.48 144.11 43.86 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.276 -177.086 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.93 135.89 47.72 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.072 -0.967 . . . . 0.0 108.72 176.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.35 117.53 8.73 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.477 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.947 -175.3 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 58.5 ttp . . . . . 0 C--O 1.235 0.306 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.526 ' HB ' HG22 ' A' ' 48' ' ' THR . 12.0 p -91.65 125.84 36.52 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.242 0.544 . . . . 0.0 110.345 176.113 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.2 m -122.07 146.84 26.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.33 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.41 134.07 33.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.647 176.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.673 HD12 HG21 ' A' ' 66' ' ' THR . 2.6 pt -130.44 125.16 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.283 177.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 tt -109.95 119.57 39.73 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -175.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.417 ' HB3' ' H ' ' A' ' 43' ' ' CYS . 1.3 m -60.26 144.16 51.0 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -175.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -86.32 -10.66 54.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.984 169.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -101.92 -54.69 2.66 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.417 ' H ' ' HB3' ' A' ' 40' ' ' CYS . 6.1 p -99.52 -3.3 33.77 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 118.687 0.676 . . . . 0.0 112.305 -175.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 52.99 31.52 11.15 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.77 1.228 . . . . 0.0 113.697 -176.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -117.82 136.01 12.13 Favored Glycine 0 N--CA 1.442 -0.928 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 18.5 ptt85 -94.59 150.4 20.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.313 0.578 . . . . 0.0 111.081 -179.189 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.9 m -135.59 127.37 29.23 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.344 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.526 HG22 ' HB ' ' A' ' 35' ' ' THR . 2.1 m -86.37 108.53 18.5 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 171.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.3 m -131.77 171.58 17.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.802 -173.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -72.95 147.01 45.64 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -71.64 108.9 5.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.456 -177.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -110.52 116.66 31.77 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.58 -1.191 . . . . 0.0 108.515 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mp -61.5 -36.23 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 123.345 0.658 . . . . 0.0 111.324 -173.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -90.3 38.09 0.92 Allowed 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 121.008 0.432 . . . . 0.0 111.618 177.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.83 114.33 3.46 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 116.314 -0.403 . . . . 0.0 113.233 173.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.2 mpp? -71.38 133.56 46.05 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 173.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -100.28 122.82 43.68 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.22 0.534 . . . . 0.0 111.682 -176.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.1 t -69.17 127.35 32.79 Favored 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.666 171.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.409 ' HA ' ' OE1' ' A' ' 62' ' ' GLU . 52.6 mtmt -89.91 0.99 56.75 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -172.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.5 mt -84.41 -36.09 11.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-O 120.807 0.337 . . . . 0.0 110.238 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 16.1 p -131.76 -8.11 3.58 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -175.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.409 ' OE1' ' HA ' ' A' ' 59' ' ' LYS . 8.3 mm-40 70.96 34.44 1.9 Allowed 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.66 1.184 . . . . 0.0 112.451 176.347 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.4 m -112.65 141.85 45.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.063 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -95.2 0.71 54.3 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.991 177.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -72.18 87.0 1.08 Allowed 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.689 0.757 . . . . 0.0 109.914 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.673 HG21 HD12 ' A' ' 38' ' ' ILE . 17.3 p -142.34 164.19 30.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.456 -171.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.26 122.97 40.35 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.24 -1.346 . . . . 0.0 108.099 173.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -65.85 117.09 7.74 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.633 0.583 . . . . 0.0 110.515 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.345 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.465 -177.067 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.465 0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.1 p -90.04 122.84 33.4 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.768 0.794 . . . . 0.0 110.772 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -126.62 157.52 37.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.29 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -103.07 124.05 47.8 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.921 0.867 . . . . 0.0 110.996 178.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.622 HD12 HG21 ' A' ' 66' ' ' THR . 5.3 pt -121.08 133.89 66.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.497 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.658 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 1.5 tt -109.26 121.32 44.92 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -173.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.488 ' HA ' HG22 ' A' ' 66' ' ' THR . 0.0 OUTLIER -65.2 146.19 55.28 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -175.869 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -91.54 -22.41 20.37 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.537 172.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -91.45 -54.39 3.93 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 -175.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 9.3 p -96.48 -1.79 46.58 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 117.628 0.195 . . . . 0.0 110.945 -177.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 54.43 30.89 13.59 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.229 1.412 . . . . 0.0 114.076 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.43 144.33 15.01 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.658 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 15.9 ptt180 -97.25 148.19 23.36 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.512 0.672 . . . . 0.0 111.88 -177.296 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.9 m -125.93 138.61 53.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.21 176.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.0 m -98.72 108.0 20.58 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 172.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.4 m -133.04 169.2 22.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.336 -172.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -74.93 153.12 38.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.991 174.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -71.57 98.64 1.91 Allowed 'General case' 0 CA--C 1.523 -0.094 0 CA-C-O 121.882 0.848 . . . . 0.0 110.447 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.496 ' H ' ' HG2' ' A' ' 56' ' ' MET . 7.8 t-80 -95.23 117.13 29.72 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 114.359 -1.291 . . . . 0.0 107.78 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.1 mp -67.91 -27.61 38.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.371 -176.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.435 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 55.0 mt -92.4 10.75 28.63 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.48 108.25 1.96 Allowed Glycine 0 C--N 1.335 0.487 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.577 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.496 ' HG2' ' H ' ' A' ' 52' ' ' HIS . 72.9 mtm -70.8 118.4 13.53 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.322 0.582 . . . . 0.0 111.439 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -90.45 112.03 23.52 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.608 -171.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.5 t -64.59 120.31 12.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.414 -1.266 . . . . 0.0 109.641 167.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -86.53 17.15 4.02 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -174.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.8 mt -99.83 -30.83 3.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.995 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.8 p -140.88 -7.91 1.06 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 72.37 20.76 3.94 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 125.28 1.432 . . . . 0.0 112.708 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.3 t -107.6 145.83 32.75 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.952 0.406 . . . . 0.0 110.154 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -96.84 7.17 47.22 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.521 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -77.91 89.58 4.1 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.976 0.893 . . . . 0.0 109.303 177.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.622 HG21 HD12 ' A' ' 38' ' ' ILE . 11.0 p -141.01 168.71 19.13 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.121 -173.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.18 132.46 51.79 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 171.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -70.19 119.06 13.82 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.072 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.337 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.138 -173.39 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 41.8 ttp . . . . . 0 C--O 1.24 0.558 0 CA-C-O 121.327 0.584 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.0 p -105.42 126.28 51.94 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.81 -175.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 m -112.82 141.59 27.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.484 -176.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -88.94 121.9 31.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.488 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.686 HD12 HG21 ' A' ' 66' ' ' THR . 20.7 pt -119.47 142.32 35.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.747 -172.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.558 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 0.6 OUTLIER -111.23 127.67 55.68 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.12 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.622 ' HA ' HG22 ' A' ' 66' ' ' THR . 0.5 OUTLIER -70.24 144.39 51.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.184 -0.916 . . . . 0.0 113.322 -172.415 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -91.69 -13.62 31.41 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.054 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -108.45 -53.45 2.63 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -177.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 p -96.41 -1.81 46.77 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 118.963 0.802 . . . . 0.0 112.83 -172.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 50.97 83.21 0.05 Allowed 'General case' 0 C--N 1.35 0.616 0 C-N-CA 124.496 1.119 . . . . 0.0 112.565 -174.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -179.91 142.93 5.36 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.149 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.457 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 15.2 ptt180 -98.83 154.14 18.25 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.392 0.615 . . . . 0.0 112.433 -175.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.9 m -141.44 133.65 27.91 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.244 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 m -97.58 108.25 20.93 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 171.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.8 m -138.97 173.58 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.886 -172.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -71.31 134.7 46.96 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.849 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -64.12 129.51 40.3 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.939 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -129.84 125.7 36.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.535 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mp -66.83 -30.96 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 122.582 0.353 . . . . 0.0 111.115 -175.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -86.94 16.12 5.25 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 176.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 107.31 123.86 5.1 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.161 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.446 ' CB ' HD13 ' A' ' 38' ' ' ILE . 4.5 mpp? -71.92 138.64 48.27 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 122.704 0.402 . . . . 0.0 110.886 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -85.07 106.41 16.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.256 0.551 . . . . 0.0 111.438 -174.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.4 t -64.74 125.02 23.48 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.591 171.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -88.16 8.72 25.66 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.5 mt -91.23 -35.78 7.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.388 176.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.0 p -133.91 -6.57 2.76 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -174.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 71.69 21.76 4.23 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 125.032 1.333 . . . . 0.0 112.608 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.5 t -102.16 146.1 28.44 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.275 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -91.1 -0.2 57.67 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.397 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -77.72 84.49 4.06 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.511 0.672 . . . . 0.0 109.734 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.686 HG21 HD12 ' A' ' 38' ' ' ILE . 17.8 p -144.27 145.47 32.05 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.042 -172.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -117.63 121.19 40.25 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 173.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.601 ' HA ' ' HA ' ' A' ' 38' ' ' ILE . 61.3 tt0 -52.17 118.18 3.32 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 124.583 1.177 . . . . 0.0 112.093 -174.417 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.558 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . . . . . . 0 C--O 1.236 0.355 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -175.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 N--CA 1.449 -0.494 0 CA-C-O 120.681 0.277 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.1 p -124.5 144.06 50.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.005 173.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 m -137.67 158.93 34.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 124.013 0.925 . . . . 0.0 110.105 176.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -98.71 129.98 45.18 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 174.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.642 HD12 HG21 ' A' ' 66' ' ' THR . 4.6 pt -128.63 128.1 67.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 121.362 0.601 . . . . 0.0 111.33 -178.186 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 tt -111.56 121.98 46.61 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -176.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 1.3 m -61.86 148.23 44.04 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -175.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -85.19 -21.62 29.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.106 -1.406 . . . . 0.0 109.385 170.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -94.64 -56.74 2.68 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -176.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.4 p -95.95 -5.07 42.19 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 117.83 0.286 . . . . 0.0 110.936 -174.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 53.73 31.45 12.89 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 125.454 1.502 . . . . 0.0 113.089 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.64 135.94 12.81 Favored Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.427 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.484 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 0.6 OUTLIER -103.35 146.41 28.51 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.584 0.707 . . . . 0.0 111.953 -177.278 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.4 m -142.55 131.82 23.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.857 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.2 m -89.22 109.07 19.99 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 173.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.1 m -134.88 172.26 16.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.44 -174.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -74.13 149.45 41.01 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.418 ' HA ' ' HG2' ' A' ' 56' ' ' MET . 78.5 t80 -71.55 104.69 3.37 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.756 0.788 . . . . 0.0 109.99 177.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -89.18 124.4 34.32 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 169.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.588 HD12 ' H ' ' A' ' 53' ' ' ILE . 3.3 mp -68.94 -32.93 56.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.846 -172.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.4 mt -91.75 17.41 9.03 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.673 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.55 109.91 1.57 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.713 177.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.418 ' HG2' ' HA ' ' A' ' 51' ' ' PHE . 46.4 mtm -68.58 131.89 46.0 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.455 0.702 . . . . 0.0 111.773 -177.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -85.64 115.07 23.11 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.694 -169.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.5 t -77.44 118.15 19.61 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 168.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -85.7 29.46 0.7 Allowed 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 122.241 1.019 . . . . 0.0 111.347 -173.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 28.4 mt -118.88 -40.46 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 O-C-N 121.698 -0.626 . . . . 0.0 109.47 174.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.1 p -129.37 -6.62 4.76 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -175.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 66.96 27.44 8.85 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 124.634 1.174 . . . . 0.0 112.613 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.2 t -104.69 143.96 32.37 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 172.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -100.62 6.6 44.15 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.772 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -76.33 89.46 3.17 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.668 0.747 . . . . 0.0 109.554 174.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.642 HG21 HD12 ' A' ' 38' ' ' ILE . 22.4 p -140.6 179.46 6.67 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.207 -169.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.66 131.18 25.4 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 171.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -66.57 119.19 11.28 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.342 0.592 . . . . 0.0 111.19 -177.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.504 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.34 -177.92 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 15.1 ttt . . . . . 0 N--CA 1.471 0.591 0 CA-C-O 120.546 0.212 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.6 p -91.05 124.48 35.31 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.532 0.682 . . . . 0.0 111.957 -172.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.9 m -131.36 140.21 48.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.327 176.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -86.2 124.01 32.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.931 0.872 . . . . 0.0 110.003 175.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.533 HD13 HG21 ' A' ' 66' ' ' THR . 1.2 pp -120.33 132.65 69.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.369 -177.424 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.643 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 2.1 tt -107.1 120.92 43.39 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 -170.075 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.42 ' HA ' HG22 ' A' ' 66' ' ' THR . 1.6 m -64.51 144.14 57.41 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-N 114.933 -1.03 . . . . 0.0 113.273 -177.019 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -86.0 -13.0 48.85 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 113.493 -1.685 . . . . 0.0 109.399 170.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -99.52 -54.16 3.01 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.48 0.918 . . . . 0.0 113.48 -177.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.416 ' H ' ' HB3' ' A' ' 40' ' ' CYS . 13.4 p -98.03 -3.37 38.26 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.557 0.617 . . . . 0.0 112.279 -172.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.8 t30 52.42 80.75 0.09 Allowed 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.62 1.168 . . . . 0.0 111.581 -177.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.64 144.73 4.46 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.743 -176.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 28.1 ptt180 -105.29 149.71 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.497 0.665 . . . . 0.0 112.622 -173.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.4 m -134.63 128.86 33.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.99 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.0 m -86.15 109.98 19.26 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.421 HG11 ' O ' ' A' ' 57' ' ' LYS . 11.3 m -138.14 172.2 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.058 -175.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -73.31 150.39 41.93 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 120.799 0.333 . . . . 0.0 110.694 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -70.53 120.43 16.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.405 -175.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -122.64 129.51 51.94 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.582 -173.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.9 mt -65.33 -32.17 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.305 -177.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -94.61 25.13 4.14 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.097 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.46 126.99 5.54 Favored Glycine 0 C--N 1.339 0.744 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.677 177.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.419 ' CB ' HG12 ' A' ' 38' ' ' ILE . 4.8 mpp? -71.21 129.41 38.84 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.971 0.415 . . . . 0.0 110.819 179.363 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.421 ' O ' HG11 ' A' ' 49' ' ' VAL . 39.7 ttmt -92.78 109.47 20.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.569 0.7 . . . . 0.0 112.004 -170.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.62 127.56 31.89 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.871 173.225 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.01 -2.82 57.35 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -174.029 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.6 mt -79.04 -37.53 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.553 178.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 63' ' ' SER . 17.2 p -140.9 -4.54 1.19 Allowed 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -171.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 70.36 20.23 6.15 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 125.131 1.372 . . . . 0.0 112.806 176.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.401 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . 36.7 t -102.05 135.77 43.03 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.471 176.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -97.34 7.17 47.07 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.434 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -72.14 87.21 1.08 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 122.003 0.906 . . . . 0.0 108.932 172.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.533 HG21 HD13 ' A' ' 38' ' ' ILE . 20.4 p -142.82 166.31 24.98 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.636 -1.165 . . . . 0.0 109.881 -169.514 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.7 145.18 50.98 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 170.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.491 ' HA ' HG22 ' A' ' 38' ' ' ILE . 65.2 tt0 -70.04 116.68 10.7 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.067 0.46 . . . . 0.0 110.384 -177.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.643 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . . . . . . 0 N--CA 1.448 -0.549 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.974 -176.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.3 ttp . . . . . 0 CA--C 1.524 -0.043 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.0 p -103.32 127.6 50.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.019 0.438 . . . . 0.0 110.991 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.9 m -122.86 140.81 45.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.642 174.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 20.3 t70 -87.21 123.69 32.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 176.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.622 HD12 HG21 ' A' ' 66' ' ' THR . 9.1 pt -115.97 129.28 72.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.438 0.637 . . . . 0.0 111.516 -177.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 tt -111.22 124.04 51.42 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.497 -0.774 . . . . 0.0 108.914 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.8 m -67.49 148.42 51.53 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -176.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -79.12 -25.59 42.96 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.105 -1.407 . . . . 0.0 109.453 169.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.71 -57.07 2.87 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -173.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.0 p -91.64 -10.58 39.84 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 117.942 0.337 . . . . 0.0 111.605 -174.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 55.97 41.5 29.75 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.044 0.938 . . . . 0.0 111.322 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.84 137.97 9.98 Favored Glycine 0 N--CA 1.44 -1.071 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.353 -177.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 16.2 ptt180 -100.55 149.4 23.76 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 124.376 0.692 . . . . 0.0 111.47 -174.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.0 m -147.86 123.76 10.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.939 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 37' ' ' ASP . 4.2 m -81.8 107.2 14.34 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 176.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.516 HG11 ' O ' ' A' ' 57' ' ' LYS . 34.2 m -130.8 171.12 18.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.129 -172.038 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -83.54 146.95 28.06 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 176.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -69.02 106.8 2.9 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.801 0.688 . . . . 0.0 109.869 178.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 54' ' ' LEU . 15.4 t-80 -108.48 128.37 54.74 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.164 -176.163 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.9 mm -65.29 -35.16 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.136 -176.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.445 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 5.0 mp -92.83 33.36 1.16 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.998 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.82 128.71 6.45 Favored Glycine 0 C--N 1.337 0.612 0 C-N-CA 121.591 -0.338 . . . . 0.0 113.268 176.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 71.6 mtm -85.98 121.94 29.32 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.263 0.554 . . . . 0.0 110.686 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.516 ' O ' HG11 ' A' ' 49' ' ' VAL . 22.8 ttmm -92.15 108.65 20.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.087 -170.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.49 133.17 53.43 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.63 168.29 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.438 ' HE3' HG12 ' A' ' 49' ' ' VAL . 35.6 mmtp -83.19 -9.18 59.3 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -170.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.2 mt -90.05 -30.94 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.426 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.9 p -144.2 -4.45 0.81 Allowed 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -176.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 63.98 21.34 12.57 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -178.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.4 t -88.23 144.93 26.16 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 121.198 0.523 . . . . 0.0 110.773 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -101.9 -2.22 30.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.499 -1.228 . . . . 0.0 110.162 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -78.73 86.83 4.65 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.933 0.873 . . . . 0.0 108.756 171.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.622 HG21 HD12 ' A' ' 38' ' ' ILE . 14.1 p -138.35 174.91 10.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.963 -171.16 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.32 163.3 31.32 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.57 -1.196 . . . . 0.0 108.021 170.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -77.78 144.32 37.23 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.609 -0.436 . . . . 0.0 109.998 175.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 121.72 0.771 . . . . 0.0 112.91 -171.576 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.4 tmt? . . . . . 0 N--CA 1.468 0.427 0 CA-C-O 121.046 0.45 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.524 ' HB ' HG22 ' A' ' 48' ' ' THR . 6.2 p -138.58 128.43 25.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.543 -176.414 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.4 m -119.24 144.13 28.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.902 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -79.46 128.32 33.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.631 0.729 . . . . 0.0 109.363 174.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.623 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 1.6 pp -124.24 131.81 72.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.463 -172.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.459 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -107.49 119.32 39.09 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.923 -166.398 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.448 ' HB2' ' H ' ' A' ' 45' ' ' GLY . 1.1 m -62.1 141.79 57.94 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.713 177.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -86.67 -14.23 43.19 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.288 169.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -95.38 -54.34 3.43 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 4.6 p -101.8 -3.39 28.14 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.186 0.448 . . . . 0.0 112.132 -175.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 55.03 47.26 22.46 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.162 0.985 . . . . 0.0 112.552 -177.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.448 ' H ' ' HB2' ' A' ' 40' ' ' CYS . . . -133.64 134.71 7.61 Favored Glycine 0 CA--C 1.506 -0.512 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.755 -177.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.623 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 36.8 ptt180 -95.87 145.36 25.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.467 0.651 . . . . 0.0 111.678 -179.241 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.7 m -136.46 135.68 38.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.523 177.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.524 HG22 ' HB ' ' A' ' 35' ' ' THR . 3.0 m -90.2 106.89 18.79 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.851 178.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.8 m -141.13 173.77 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 114.768 -1.105 . . . . 0.0 108.309 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -72.29 155.57 40.05 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 120.746 0.308 . . . . 0.0 110.48 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -75.35 94.29 3.03 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.881 0.848 . . . . 0.0 110.529 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' A' ' 54' ' ' LEU . 36.9 t-80 -92.54 113.25 25.48 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.182 174.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.4 mt -64.1 -26.01 39.46 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 O-C-N 123.796 0.685 . . . . 0.0 112.315 -167.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.475 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 6.0 mp -87.11 16.11 5.43 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.73 118.37 3.14 Favored Glycine 0 C--N 1.334 0.433 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.465 ' HG3' ' H ' ' A' ' 52' ' ' HIS . 4.5 mpp? -79.66 148.7 31.51 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.924 0.392 . . . . 0.0 111.131 -177.11 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -82.31 111.18 18.14 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 121.631 0.729 . . . . 0.0 111.782 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.9 t -82.0 118.24 22.83 Favored 'General case' 0 C--O 1.209 -1.064 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 164.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.455 ' HA ' ' OE2' ' A' ' 62' ' ' GLU . 50.9 mtpt -82.88 -5.44 59.01 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 122.376 0.27 . . . . 0.0 111.665 -172.419 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 43.2 mt -80.32 -33.26 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 122.759 0.424 . . . . 0.0 110.8 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.0 p -135.94 -9.8 2.06 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -177.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.455 ' OE2' ' HA ' ' A' ' 59' ' ' LYS . 20.9 mm-40 69.18 29.75 4.55 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.056 1.342 . . . . 0.0 112.742 178.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.2 t -98.98 145.73 26.75 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.467 173.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -104.59 6.26 34.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.584 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -80.97 82.57 6.91 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 122.367 1.08 . . . . 0.0 108.841 173.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.5 p -137.96 150.48 47.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.206 -171.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.34 153.11 23.24 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 171.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.61 ' HA ' HG22 ' A' ' 38' ' ' ILE . 8.0 tt0 -81.81 120.46 25.19 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.011 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.286 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.141 -175.658 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 60.6 ttp . . . . . 0 N--CA 1.462 0.142 0 CA-C-O 120.61 0.243 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.8 p -89.66 122.37 32.72 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.253 0.549 . . . . 0.0 111.113 -176.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.4 m -129.4 140.0 50.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.07 -176.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -94.59 121.53 36.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 122.021 0.915 . . . . 0.0 110.176 177.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.598 HD12 HG21 ' A' ' 66' ' ' THR . 1.9 pt -113.03 128.23 69.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.173 -176.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.584 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 3.3 tt -108.56 126.56 53.08 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.059 -169.11 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.462 ' HA ' HG22 ' A' ' 66' ' ' THR . 1.7 m -66.75 149.04 51.11 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -175.073 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -88.32 -12.2 44.15 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 113.648 -1.614 . . . . 0.0 109.418 169.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -101.31 -55.82 2.45 Favored 'General case' 0 C--N 1.351 0.637 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.6 p -97.62 -4.46 37.51 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.264 0.484 . . . . 0.0 111.398 -178.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 55.03 31.93 17.16 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 124.912 1.285 . . . . 0.0 113.673 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -125.69 146.41 16.18 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.489 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 25.6 ptt180 -104.6 150.99 24.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.333 0.587 . . . . 0.0 112.029 -172.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 51.1 m -137.15 126.14 24.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.206 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.0 m -87.18 110.62 20.27 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.701 0.762 . . . . 0.0 109.985 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.439 HG21 ' HB3' ' A' ' 56' ' ' MET . 4.3 m -128.82 173.05 14.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.755 -176.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -74.26 154.76 38.83 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 171.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -76.51 119.37 20.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.251 0.548 . . . . 0.0 110.833 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -113.86 126.74 55.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.209 177.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.6 mp -65.52 -34.61 71.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 122.613 0.365 . . . . 0.0 111.094 -173.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 54' ' ' LEU . 3.5 mm? -95.72 27.55 3.44 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.91 134.9 7.75 Favored Glycine 0 C--N 1.338 0.686 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.779 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.439 ' HB3' HG21 ' A' ' 49' ' ' VAL . 5.1 mpp? -95.5 172.77 7.87 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.779 0.324 . . . . 0.0 111.467 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -117.28 131.72 56.76 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.442 0.639 . . . . 0.0 112.547 -176.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.6 t -81.67 122.61 27.85 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 166.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -77.04 -15.35 59.63 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.681 0.392 . . . . 0.0 111.945 -175.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 20.4 mt -79.87 -35.77 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 123.084 0.554 . . . . 0.0 111.385 -174.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.0 p -140.31 4.97 2.04 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 65.82 30.32 10.09 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.394 1.078 . . . . 0.0 112.996 174.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.8 t -104.94 144.09 32.27 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.392 -175.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -96.66 -5.46 38.84 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.851 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -74.16 83.06 1.82 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.867 0.841 . . . . 0.0 109.439 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.598 HG21 HD12 ' A' ' 38' ' ' ILE . 22.3 p -144.93 161.67 38.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.702 -1.135 . . . . 0.0 110.495 -171.286 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.38 153.04 46.72 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 171.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -70.89 122.22 19.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 117.992 0.36 . . . . 0.0 110.218 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.584 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.28 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.902 -175.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 48.1 ttp . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.2 p -91.81 134.07 35.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.234 177.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.6 m -119.51 152.76 22.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.609 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -107.63 124.08 49.43 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.575 HD12 HG21 ' A' ' 66' ' ' THR . 11.5 pt -117.17 133.34 64.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 123.235 0.334 . . . . 0.0 110.97 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.609 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 1.1 tt -110.67 127.73 55.41 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -177.15 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.483 ' HB3' ' H ' ' A' ' 42' ' ' ASP . 1.3 m -66.44 145.33 55.79 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -96.28 16.59 17.91 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 114.288 -1.323 . . . . 0.0 110.356 169.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.483 ' H ' ' HB3' ' A' ' 40' ' ' CYS . 1.4 p30 -126.5 -54.56 1.45 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.422 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.6 p -98.1 -1.95 41.21 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -173.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.0 t30 56.07 31.08 17.44 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.934 1.294 . . . . 0.0 112.299 -176.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.92 137.73 10.63 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.503 -177.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.609 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 13.5 ptp180 -100.48 152.29 20.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.169 0.509 . . . . 0.0 111.26 -176.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.1 m -136.46 118.66 15.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.618 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.8 m -84.32 108.87 17.41 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 171.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.6 m -120.87 172.11 8.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 114.532 -1.213 . . . . 0.0 109.27 -176.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -76.78 143.62 39.72 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 173.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -68.93 116.17 9.09 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.574 0.702 . . . . 0.0 109.853 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -133.24 116.68 16.48 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 114.364 -1.289 . . . . 0.0 108.712 -170.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.5 mm -61.49 -40.62 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 124.009 0.818 . . . . 0.0 110.931 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -90.82 37.4 0.92 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.468 -178.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.17 113.0 2.78 Favored Glycine 0 C--N 1.335 0.524 0 C-N-CA 120.464 -0.874 . . . . 0.0 114.298 168.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.409 ' H ' ' HE1' ' A' ' 64' ' ' TYR . 52.4 mtm -108.2 113.18 26.1 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 170.394 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -118.59 130.05 55.67 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.092 -169.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -62.89 123.03 17.45 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.342 175.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.433 ' HA ' ' OE1' ' A' ' 62' ' ' GLU . 64.5 mttm -87.2 1.93 51.58 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -172.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.1 mt -81.54 -35.06 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.053 177.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.6 p -138.78 -8.91 1.39 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -174.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.433 ' OE1' ' HA ' ' A' ' 59' ' ' LYS . 10.7 mm-40 69.67 30.75 3.81 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 124.746 1.218 . . . . 0.0 112.324 176.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.2 t -100.83 144.22 30.04 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.253 174.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.409 ' HE1' ' H ' ' A' ' 56' ' ' MET . 60.2 t80 -91.26 -14.84 30.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.74 178.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -71.14 89.25 0.83 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.789 0.804 . . . . 0.0 110.855 -177.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.575 HG21 HD12 ' A' ' 38' ' ' ILE . 21.0 p -141.44 156.61 45.76 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.799 -172.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.3 119.73 31.98 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.205 -1.361 . . . . 0.0 107.652 175.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.45 ' HA ' ' HA ' ' A' ' 38' ' ' ILE . 25.0 tt0 -64.63 103.41 0.68 Allowed 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.741 0.651 . . . . 0.0 111.085 -174.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . . . . . . 0 C--O 1.238 0.457 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.645 -169.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 . . . . . 0 N--CA 1.461 0.102 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 27.2 ttt -88.63 93.97 9.74 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 171.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 p -100.81 125.69 47.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.87 175.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.1 m -115.04 143.84 23.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.27 172.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.41 ' OD2' ' HD2' ' A' ' 46' ' ' ARG . 37.7 t70 -94.19 122.16 36.44 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.6 pt -115.51 146.66 19.64 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 O-C-N 123.387 0.429 . . . . 0.0 110.975 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.487 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -110.38 150.07 29.34 Favored 'General case' 0 C--O 1.211 -0.973 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.846 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.525 ' HA ' HG22 ' A' ' 66' ' ' THR . 1.9 t -94.28 147.74 22.9 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 120.901 0.382 . . . . 0.0 111.008 -175.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -89.74 -29.34 18.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.144 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -97.83 -42.52 7.54 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -176.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.3 p -103.48 -3.04 25.9 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 119.789 -0.764 . . . . 0.0 111.751 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 55.9 31.34 17.63 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 174.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -117.02 148.59 18.85 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.487 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 23.6 ptt180 -104.02 143.9 32.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.831 0.824 . . . . 0.0 112.105 -175.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.6 m -129.37 124.27 33.83 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 114.073 -1.421 . . . . 0.0 109.411 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.2 m -87.47 107.35 18.52 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 172.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 m -126.93 175.21 9.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 114.486 -1.234 . . . . 0.0 108.308 -176.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -74.05 157.45 36.06 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.842 171.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -77.63 110.48 12.48 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 173.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -122.33 112.02 17.61 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.706 -1.134 . . . . 0.0 108.374 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.5 mt -68.63 -30.23 46.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.054 -175.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.2 mt -81.91 -0.03 41.95 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.65 118.71 1.83 Allowed Glycine 0 C--N 1.339 0.723 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.472 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 64.4 mtm -98.28 109.04 21.86 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -79.31 123.51 27.53 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.481 0.658 . . . . 0.0 111.604 -174.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 44.8 t -72.27 118.63 15.4 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.303 168.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -78.06 -3.63 43.19 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.962 -175.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.1 mt -91.64 -33.47 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.078 -175.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 22.3 p -143.2 4.26 1.41 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -172.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 68.65 21.52 7.89 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 124.02 0.928 . . . . 0.0 113.152 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.6 t -107.67 145.82 32.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.334 0.588 . . . . 0.0 110.913 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -98.09 2.62 48.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.08 -0.963 . . . . 0.0 111.012 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -79.16 88.06 4.88 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.99 0.9 . . . . 0.0 109.382 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.525 HG22 ' HA ' ' A' ' 40' ' ' CYS . 7.2 p -141.0 151.6 44.26 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.888 -173.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -111.56 -179.71 3.78 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 173.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.571 ' HG2' ' H ' ' A' ' 70' ' ' GLY . 49.3 tt0 -96.15 130.11 43.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 118.777 0.717 . . . . 0.0 110.157 175.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.75 -4.44 57.68 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.816 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.571 ' H ' ' HG2' ' A' ' 68' ' ' GLN . . . -87.32 41.07 3.08 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 116.455 -0.338 . . . . 0.0 112.294 173.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.51 121.3 6.8 Favored Glycine 0 C--N 1.343 0.924 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -77.31 135.57 38.41 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 123.055 0.542 . . . . 0.0 110.738 -171.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -83.51 122.46 28.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.346 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.8 tt -115.65 140.9 35.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.908 173.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.2 t -87.88 113.65 23.74 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.599 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -145.56 136.61 24.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.447 174.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -90.53 113.14 25.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.174 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -129.87 124.21 32.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.825 -177.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 C--O 1.25 1.107 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.744 177.423 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 121.127 0.489 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.9 ttp -117.01 117.52 29.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.381 177.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.6 p -98.19 124.9 43.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.492 0.663 . . . . 0.0 111.911 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.1 m -115.89 158.82 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.845 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -97.68 127.86 43.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.106 174.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.678 HD12 HG21 ' A' ' 66' ' ' THR . 12.2 pt -119.38 131.49 71.86 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.85 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.963 177.146 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.411 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 1.6 tt -112.2 122.7 48.47 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -177.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.553 ' HA ' HG22 ' A' ' 66' ' ' THR . 1.4 m -66.53 151.86 46.39 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -177.073 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -95.03 -6.13 42.92 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 113.596 -1.638 . . . . 0.0 110.102 171.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.65 -56.82 2.22 Favored 'General case' 0 C--N 1.344 0.33 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -176.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 p -91.02 -9.99 43.86 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 117.971 0.35 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.1 m120 57.82 34.28 24.2 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 124.749 1.281 . . . . 0.0 111.805 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.36 148.08 16.68 Favored Glycine 0 N--CA 1.441 -1.03 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.573 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.449 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 11.3 ptm180 -98.02 156.97 16.39 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.402 0.62 . . . . 0.0 111.633 -175.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.2 m -142.99 128.29 18.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.348 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -87.5 108.46 19.04 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 171.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.517 HG21 ' HB3' ' A' ' 56' ' ' MET . 17.4 m -129.6 160.32 40.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.181 -171.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.9 136.39 41.45 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 172.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -64.36 110.0 2.11 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.955 0.883 . . . . 0.0 111.378 -176.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -104.57 120.88 42.31 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 114.187 -1.37 . . . . 0.0 108.606 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.5 mp -66.41 -30.21 49.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-O 121.221 0.534 . . . . 0.0 110.577 -175.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -88.09 11.19 16.81 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.525 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.96 121.18 3.33 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 121.437 -0.411 . . . . 0.0 113.208 175.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.517 ' HB3' HG21 ' A' ' 49' ' ' VAL . 4.6 mpp? -75.24 138.22 41.76 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 122.557 0.343 . . . . 0.0 110.465 176.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -108.26 123.63 49.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.361 0.6 . . . . 0.0 111.006 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.82 131.62 43.3 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.977 178.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -75.85 -16.22 60.1 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.6 mt -74.05 -45.97 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 122.76 0.424 . . . . 0.0 111.132 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 15.4 p -135.63 -0.72 2.59 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -168.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 67.47 23.31 9.08 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 124.61 1.164 . . . . 0.0 112.96 175.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.5 t -96.58 148.02 23.27 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.308 0.575 . . . . 0.0 110.448 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -98.14 -8.63 27.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.367 -1.288 . . . . 0.0 111.085 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -75.75 91.87 2.97 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-O 121.691 0.758 . . . . 0.0 110.253 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.678 HG21 HD12 ' A' ' 38' ' ' ILE . 17.7 p -144.48 170.41 16.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.202 -171.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -128.29 144.86 51.17 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 172.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -78.04 115.51 17.83 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 118.495 0.589 . . . . 0.0 110.004 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . -79.13 107.27 11.76 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.675 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.09 -2.11 44.16 Favored Glycine 0 CA--C 1.522 0.479 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.479 -173.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.25 156.31 32.16 Favored Glycine 0 C--N 1.339 0.741 0 N-CA-C 112.211 -0.355 . . . . 0.0 112.211 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -77.63 148.78 34.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.176 0.512 . . . . 0.0 111.493 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -119.64 114.87 22.87 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.583 -177.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.5 pt -86.24 155.24 3.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.626 171.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 42.0 m 59.29 77.59 0.3 Allowed 'General case' 0 N--CA 1.473 0.694 0 O-C-N 124.695 1.247 . . . . 0.0 111.353 -176.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 32.8 tp -118.65 104.1 10.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.941 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -99.93 1.51 42.79 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.7 176.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -88.24 133.45 34.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.113 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 . . . . . 0 C--O 1.241 0.61 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.135 -179.098 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.2 m120 . . . . . 0 C--O 1.235 0.336 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.1 ptm -74.75 127.71 33.82 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.014 0.435 . . . . 0.0 110.154 175.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 p -97.85 124.73 42.37 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.785 0.803 . . . . 0.0 110.817 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.5 m -118.15 157.03 19.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.071 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.447 ' OD2' ' HD2' ' A' ' 46' ' ' ARG . 32.6 t70 -107.95 125.77 51.9 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.654 HD12 HG21 ' A' ' 66' ' ' THR . 3.4 pt -123.33 132.04 72.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.055 -178.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.544 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 2.4 tt -109.74 126.3 53.59 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -176.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.412 ' HB3' ' H ' ' A' ' 43' ' ' CYS . 4.5 m -69.12 144.33 53.91 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -85.69 -20.1 29.89 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.244 -1.344 . . . . 0.0 109.671 167.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -91.58 -47.14 7.57 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -173.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.412 ' H ' ' HB3' ' A' ' 40' ' ' CYS . 9.2 p -104.19 -2.87 25.13 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.483 0.583 . . . . 0.0 111.421 -178.233 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 57.92 31.47 20.62 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.387 1.075 . . . . 0.0 112.666 -177.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.2 142.34 13.78 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 121.131 -0.557 . . . . 0.0 111.995 -178.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.544 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 15.4 ptt180 -104.2 153.52 20.87 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.584 0.706 . . . . 0.0 111.903 -176.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 m -141.99 141.28 32.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.503 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.6 m -95.32 108.61 20.79 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.614 0.721 . . . . 0.0 109.112 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.483 HG11 ' O ' ' A' ' 57' ' ' LYS . 29.2 m -128.39 172.84 14.39 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.639 0 CA-C-N 114.521 -1.218 . . . . 0.0 108.999 -176.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -74.99 152.47 38.74 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 118.226 0.466 . . . . 0.0 110.41 175.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -70.05 110.51 5.14 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.458 0.647 . . . . 0.0 109.572 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -116.86 119.57 35.8 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.658 -1.155 . . . . 0.0 109.551 -172.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mp -69.99 -27.87 34.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.57 -176.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.9 mt -88.54 16.71 6.17 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.248 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.52 122.59 4.4 Favored Glycine 0 C--N 1.334 0.468 0 N-CA-C 111.964 -0.455 . . . . 0.0 111.964 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.402 ' HB3' HD13 ' A' ' 38' ' ' ILE . 65.0 mtm -88.71 127.21 35.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.411 0.624 . . . . 0.0 111.233 -177.182 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.483 ' O ' HG11 ' A' ' 49' ' ' VAL . 37.9 ttpt -103.74 113.52 27.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.452 -169.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 137.64 56.07 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.594 171.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -80.44 -11.24 59.71 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.997 0.739 . . . . 0.0 112.997 -171.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.7 mt -82.73 -35.41 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.988 -176.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.9 p -136.54 -11.42 1.84 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -173.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 67.39 26.84 8.3 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.68 1.192 . . . . 0.0 113.214 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.9 m -98.66 153.29 18.81 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.473 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -103.06 5.04 37.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.545 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -78.57 81.4 4.9 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.654 HG21 HD12 ' A' ' 38' ' ' ILE . 20.5 p -138.34 157.91 45.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.825 0.822 . . . . 0.0 112.039 -172.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.12 132.7 51.81 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 113.967 -1.469 . . . . 0.0 107.576 171.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -69.16 118.43 12.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.09 0.471 . . . . 0.0 111.095 -175.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -93.14 -53.02 4.29 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.541 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.19 -122.64 9.89 Favored Glycine 0 C--N 1.336 0.565 0 O-C-N 123.826 0.704 . . . . 0.0 112.514 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -128.18 144.59 15.37 Favored Glycine 0 N--CA 1.442 -0.947 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 172.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -73.21 137.13 44.82 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 117.175 0.487 . . . . 0.0 111.454 -175.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -73.69 110.5 8.03 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.148 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.9 tt -96.29 117.09 39.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.291 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.4 t -88.11 97.79 11.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.491 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.4 tp -89.01 121.69 31.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.758 -173.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -138.18 25.12 2.73 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -175.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -67.43 -32.71 73.77 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.788 -0.625 . . . . 0.0 109.827 172.866 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.5 p30 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 122.1 0.952 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -119.02 104.54 10.58 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 174.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.8 p -115.72 126.78 54.52 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.694 -172.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.4 m -118.35 144.58 26.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.189 172.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.469 ' HB3' ' HB3' ' A' ' 69' ' ' ALA . 1.1 t70 -93.06 133.47 36.19 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 175.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.545 HD12 HG21 ' A' ' 66' ' ' THR . 8.3 pt -120.33 132.63 69.44 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 O-C-N 123.301 0.375 . . . . 0.0 110.586 178.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.636 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 1.3 tt -110.14 127.35 54.86 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -177.113 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.556 ' HA ' HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -67.27 148.43 51.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.971 -1.013 . . . . 0.0 113.006 -175.823 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -93.29 -19.26 21.55 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.846 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -100.9 -54.89 2.7 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -176.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.1 p -95.04 -2.32 50.45 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.14 0.427 . . . . 0.0 112.115 -174.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 51.04 43.58 28.94 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 124.488 1.115 . . . . 0.0 112.954 -175.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -127.03 129.71 6.63 Favored Glycine 0 N--CA 1.436 -1.359 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.444 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.636 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 12.7 ptm180 -96.49 154.68 17.13 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.507 0.67 . . . . 0.0 111.967 -178.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.5 m -139.72 121.66 15.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.611 -177.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 m -80.44 109.01 14.53 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.0 m -129.13 171.59 16.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.065 -171.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -85.78 147.25 26.41 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 172.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -66.63 117.48 8.85 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.36 0.6 . . . . 0.0 110.644 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -108.29 128.15 54.49 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.594 -1.185 . . . . 0.0 108.733 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 mp -63.51 -34.75 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.515 0.726 . . . . 0.0 110.852 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.66 12.17 11.26 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.722 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.616 ' HA3' ' HE1' ' A' ' 64' ' ' TYR . . . 100.66 134.02 8.36 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.441 -0.409 . . . . 0.0 112.333 177.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -78.67 146.45 34.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.025 0.441 . . . . 0.0 110.434 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -111.46 127.68 55.76 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.04 -174.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 18.5 t -65.42 124.1 21.39 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.345 172.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -86.96 13.6 8.83 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -173.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 21.4 mt -114.96 -42.66 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.67 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.0 p -126.26 -2.99 6.9 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 120.362 -0.535 . . . . 0.0 112.136 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 59.11 54.59 4.83 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.476 1.11 . . . . 0.0 112.979 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 99.2 p -116.47 154.94 29.47 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.951 176.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.616 ' HE1' ' HA3' ' A' ' 55' ' ' GLY . 77.9 t80 -89.21 -13.64 37.79 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.961 173.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -73.62 80.8 1.51 Allowed 'General case' 0 C--O 1.24 0.582 0 CA-C-O 122.125 0.964 . . . . 0.0 110.666 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.556 HG22 ' HA ' ' A' ' 40' ' ' CYS . 9.5 p -145.42 151.07 37.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.313 -1.312 . . . . 0.0 109.873 -174.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.46 177.81 4.57 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 107.529 -1.285 . . . . 0.0 107.529 168.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -88.5 133.48 34.13 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 172.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.514 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . -79.04 97.8 6.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.264 0.554 . . . . 0.0 110.996 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.2 -30.45 7.01 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 114.979 -1.009 . . . . 0.0 111.072 174.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -153.72 -100.33 0.19 Allowed Glycine 0 N--CA 1.44 -1.066 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 175.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -121.45 135.46 55.05 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.519 ' HB2' HD13 ' A' ' 39' ' ' LEU . 1.3 tmt_? -89.35 84.49 6.45 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.6 pt -128.42 158.38 40.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.006 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.4 m -113.14 55.87 0.69 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.455 0.645 . . . . 0.0 109.804 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.1 tt -87.76 100.64 13.0 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -98.69 103.55 15.51 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.222 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -108.45 -56.33 2.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.273 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 . . . . . 0 C--O 1.242 0.695 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.123 -177.574 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.7 m120 . . . . . 0 N--CA 1.47 0.546 0 CA-C-O 121.059 0.457 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.8 ttt -150.51 120.93 7.37 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 176.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.1 p -108.06 126.45 52.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.793 0.33 . . . . 0.0 111.328 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.7 m -123.4 147.02 27.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.484 175.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -96.38 129.52 43.71 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 174.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.613 HD13 HG21 ' A' ' 66' ' ' THR . 1.4 pp -129.12 146.81 33.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.734 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -173.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.0 mt -109.21 133.68 52.71 Favored 'General case' 0 CA--C 1.512 -0.505 0 O-C-N 123.762 0.664 . . . . 0.0 109.364 177.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.507 ' HA ' HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -72.07 145.28 48.33 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.619 -176.716 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -97.11 8.9 43.55 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.701 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -127.43 -55.56 1.33 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.229 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 8.8 p -96.74 -5.28 39.01 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 118.475 0.579 . . . . 0.0 110.718 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.419 ' H ' ' HB3' ' A' ' 40' ' ' CYS . 3.3 m-20 57.8 30.52 19.13 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.435 1.494 . . . . 0.0 113.988 175.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.21 151.05 18.53 Favored Glycine 0 C--N 1.336 0.551 0 C-N-CA 121.271 -0.49 . . . . 0.0 111.993 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.498 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 8.6 ptp180 -94.51 154.77 17.24 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.313 0.578 . . . . 0.0 112.082 -176.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.4 m -147.82 126.45 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.605 175.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 m -85.95 108.11 18.05 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 173.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.5 m -142.46 175.11 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.102 -171.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -73.46 138.43 45.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.715 178.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -67.37 121.15 15.13 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.785 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -132.15 121.94 24.53 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 113.836 -1.529 . . . . 0.0 108.086 -173.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.1 mp -67.63 -27.59 38.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 123.031 0.532 . . . . 0.0 110.954 -173.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -89.59 28.66 1.26 Allowed 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.42 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.813 ' HA3' ' HB3' ' A' ' 64' ' ' TYR . . . 98.7 132.64 7.72 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 116.152 -0.477 . . . . 0.0 112.178 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -80.23 135.49 36.27 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.787 0.327 . . . . 0.0 110.291 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.02 110.53 6.57 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 121.731 0.777 . . . . 0.0 111.374 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.5 t -81.02 124.21 28.99 Favored 'General case' 0 C--O 1.212 -0.892 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 169.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -82.86 -0.51 48.51 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -173.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.9 mt -91.06 -33.21 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.2 p -141.97 0.02 1.35 Allowed 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -175.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 65.11 20.95 12.13 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 125.155 1.382 . . . . 0.0 113.301 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.4 t -90.82 147.38 23.23 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.04 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.813 ' HB3' ' HA3' ' A' ' 55' ' ' GLY . 81.6 m-85 -101.11 -3.43 29.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.451 -178.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -77.79 90.62 4.06 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.515 0.674 . . . . 0.0 109.588 178.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.613 HG21 HD13 ' A' ' 38' ' ' ILE . 21.0 p -143.66 143.76 31.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.928 -171.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.31 147.11 41.87 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 173.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.509 ' HA ' HG22 ' A' ' 38' ' ' ILE . 53.8 tt0 -64.81 127.51 31.87 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.249 0.547 . . . . 0.0 111.939 -173.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.19 -179.77 6.22 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.105 -0.952 . . . . 0.0 113.404 -167.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 164.57 -167.95 38.65 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 114.671 -1.149 . . . . 0.0 110.321 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.63 64.98 1.04 Allowed Glycine 0 C--N 1.329 0.163 0 C-N-CA 121.189 -0.529 . . . . 0.0 111.889 177.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -116.99 106.64 13.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.849 0.357 . . . . 0.0 110.683 -175.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -106.52 129.59 54.44 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.491 -1.299 . . . . 0.0 107.491 171.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.0 pt -74.79 112.35 12.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 122.368 1.08 . . . . 0.0 112.103 -175.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.1 m -114.0 101.61 9.41 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.521 -1.218 . . . . 0.0 108.742 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.501 ' H ' HD23 ' A' ' 76' ' ' LEU . 2.1 pt? -90.28 149.49 22.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.661 -175.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -99.61 154.17 18.48 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 173.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -161.78 171.42 17.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.06 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? . . . . . 0 C--O 1.244 0.794 0 CA-C-O 118.311 -0.852 . . . . 0.0 109.965 169.296 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 . . . . . 0 N--CA 1.466 0.342 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 24.6 ttt -131.9 94.72 3.55 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 174.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.0 p -90.78 124.17 34.92 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.988 0.423 . . . . 0.0 110.697 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.6 m -118.73 150.17 21.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.891 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.473 ' OD2' ' HD2' ' A' ' 46' ' ' ARG . 35.7 t70 -102.15 125.66 48.91 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.384 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.459 ' HB ' ' HB ' ' A' ' 66' ' ' THR . 4.3 pt -119.09 130.07 74.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.043 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.623 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 1.5 tt -109.43 130.39 55.5 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -174.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.36 139.69 39.79 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.183 -174.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -85.96 -12.58 50.09 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.538 -1.21 . . . . 0.0 112.987 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -117.41 -51.09 2.52 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.4 p -86.29 -1.48 57.54 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 118.407 0.549 . . . . 0.0 112.432 -174.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.2 m120 54.91 82.5 0.09 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.821 1.248 . . . . 0.0 112.683 175.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 166.48 151.26 6.72 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -175.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.623 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 17.4 ptt180 -117.34 157.58 25.88 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -173.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.0 m -133.69 121.59 22.17 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.285 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.0 m -88.26 109.37 19.89 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 172.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.481 HG12 ' HE2' ' A' ' 59' ' ' LYS . 16.1 m -128.81 171.77 16.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.29 -1.323 . . . . 0.0 109.474 -172.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -75.8 138.59 41.27 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 174.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -66.29 121.1 14.49 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 123.859 0.725 . . . . 0.0 110.319 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -119.84 128.53 53.77 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.321 -1.309 . . . . 0.0 108.548 -176.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.7 mm -65.24 -36.4 77.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.122 0.569 . . . . 0.0 110.408 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -83.07 -6.94 59.68 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.582 -177.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.53 132.3 3.46 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.652 -0.785 . . . . 0.0 113.44 176.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -87.47 133.03 33.81 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 175.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -95.21 128.75 42.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.121 0.486 . . . . 0.0 110.682 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.8 t -66.35 127.4 32.11 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.857 172.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.481 ' HE2' HG12 ' A' ' 49' ' ' VAL . 67.8 mttm -89.03 26.96 1.45 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.18 0.514 . . . . 0.0 112.268 -176.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.3 mt -121.07 -43.19 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.5 p -125.32 0.69 7.73 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 59.69 28.24 17.64 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.5 t -116.31 160.63 20.21 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.243 -0.286 . . . . 0.0 110.234 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -97.88 27.92 4.2 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-O 122.883 1.325 . . . . 0.0 110.198 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -87.43 39.26 0.86 Allowed 'General case' 0 CA--C 1.551 0.982 0 O-C-N 121.019 -1.051 . . . . 0.0 111.279 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.459 ' HB ' ' HB ' ' A' ' 38' ' ' ILE . 22.7 p -114.48 144.11 43.86 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.276 -177.086 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.93 135.89 47.72 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.072 -0.967 . . . . 0.0 108.72 176.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.35 117.53 8.73 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.66 98.3 10.6 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.947 -175.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -133.23 48.33 0.96 Allowed Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.609 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -178.73 -117.48 0.54 Allowed Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.947 -0.461 . . . . 0.0 111.947 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -130.67 160.33 34.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.859 0.361 . . . . 0.0 110.902 178.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -133.5 149.48 51.71 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 172.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 42.3 mm -75.34 127.99 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.897 0.38 . . . . 0.0 110.659 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 t -91.15 100.5 13.32 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.337 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.3 tp -123.1 98.47 5.9 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.773 0.797 . . . . 0.0 110.124 175.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -127.02 -2.52 6.46 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.21 175.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -72.88 -54.83 7.72 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.161 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 . . . . . 0 C--O 1.242 0.683 0 CA-C-O 118.32 -0.848 . . . . 0.0 109.325 175.958 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 . . . . . 0 CA--C 1.518 -0.259 0 CA-C-O 120.788 0.328 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 58.5 ttp -77.95 117.01 18.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.105 175.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.526 ' HB ' HG22 ' A' ' 48' ' ' THR . 12.0 p -91.65 125.84 36.52 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.242 0.544 . . . . 0.0 110.345 176.113 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.2 m -122.07 146.84 26.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.33 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.41 134.07 33.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.647 176.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.673 HD12 HG21 ' A' ' 66' ' ' THR . 2.6 pt -130.44 125.16 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.283 177.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 tt -109.95 119.57 39.73 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -175.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.417 ' HB3' ' H ' ' A' ' 43' ' ' CYS . 1.3 m -60.26 144.16 51.0 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -175.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -86.32 -10.66 54.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.984 169.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -101.92 -54.69 2.66 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.417 ' H ' ' HB3' ' A' ' 40' ' ' CYS . 6.1 p -99.52 -3.3 33.77 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 118.687 0.676 . . . . 0.0 112.305 -175.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 52.99 31.52 11.15 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.77 1.228 . . . . 0.0 113.697 -176.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -117.82 136.01 12.13 Favored Glycine 0 N--CA 1.442 -0.928 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 18.5 ptt85 -94.59 150.4 20.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.313 0.578 . . . . 0.0 111.081 -179.189 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.9 m -135.59 127.37 29.23 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.344 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.526 HG22 ' HB ' ' A' ' 35' ' ' THR . 2.1 m -86.37 108.53 18.5 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 171.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.3 m -131.77 171.58 17.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.802 -173.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -72.95 147.01 45.64 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -71.64 108.9 5.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.456 -177.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -110.52 116.66 31.77 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.58 -1.191 . . . . 0.0 108.515 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mp -61.5 -36.23 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 123.345 0.658 . . . . 0.0 111.324 -173.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -90.3 38.09 0.92 Allowed 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 121.008 0.432 . . . . 0.0 111.618 177.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.83 114.33 3.46 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 116.314 -0.403 . . . . 0.0 113.233 173.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.2 mpp? -71.38 133.56 46.05 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 173.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -100.28 122.82 43.68 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.22 0.534 . . . . 0.0 111.682 -176.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.1 t -69.17 127.35 32.79 Favored 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.666 171.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.409 ' HA ' ' OE1' ' A' ' 62' ' ' GLU . 52.6 mtmt -89.91 0.99 56.75 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -172.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.5 mt -84.41 -36.09 11.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-O 120.807 0.337 . . . . 0.0 110.238 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 16.1 p -131.76 -8.11 3.58 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -175.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.409 ' OE1' ' HA ' ' A' ' 59' ' ' LYS . 8.3 mm-40 70.96 34.44 1.9 Allowed 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.66 1.184 . . . . 0.0 112.451 176.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.4 m -112.65 141.85 45.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.063 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -95.2 0.71 54.3 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.991 177.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -72.18 87.0 1.08 Allowed 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.689 0.757 . . . . 0.0 109.914 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.673 HG21 HD12 ' A' ' 38' ' ' ILE . 17.3 p -142.34 164.19 30.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.456 -171.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.26 122.97 40.35 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.24 -1.346 . . . . 0.0 108.099 173.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -65.85 117.09 7.74 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.633 0.583 . . . . 0.0 110.515 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.1 116.21 13.36 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.465 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.75 -49.83 5.91 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.214 -178.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 140.75 146.6 4.81 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 121.409 -0.424 . . . . 0.0 112.101 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -89.19 107.29 18.97 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -110.24 84.8 1.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 37.4 mm -127.48 95.33 2.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 174.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.1 p -92.59 -46.93 7.37 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.063 177.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 25.7 tp -148.61 104.05 3.45 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.725 174.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -102.09 87.2 3.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.212 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -150.81 130.4 13.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.581 -173.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 . . . . . 0 C--O 1.243 0.73 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.619 174.672 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.888 ' HB2' ' HB3' ' A' ' 50' ' ' GLN . 9.7 m-80 . . . . . 0 C--O 1.236 0.352 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -65.93 132.99 49.94 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.477 0.486 . . . . 0.0 110.719 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.1 p -90.04 122.84 33.4 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.768 0.794 . . . . 0.0 110.772 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -126.62 157.52 37.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.29 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -103.07 124.05 47.8 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.921 0.867 . . . . 0.0 110.996 178.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.622 HD12 HG21 ' A' ' 66' ' ' THR . 5.3 pt -121.08 133.89 66.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.497 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.658 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 1.5 tt -109.26 121.32 44.92 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -173.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.488 ' HA ' HG22 ' A' ' 66' ' ' THR . 0.0 OUTLIER -65.2 146.19 55.28 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -175.869 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -91.54 -22.41 20.37 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.537 172.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -91.45 -54.39 3.93 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 -175.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 9.3 p -96.48 -1.79 46.58 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 117.628 0.195 . . . . 0.0 110.945 -177.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 54.43 30.89 13.59 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.229 1.412 . . . . 0.0 114.076 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.43 144.33 15.01 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.658 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 15.9 ptt180 -97.25 148.19 23.36 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.512 0.672 . . . . 0.0 111.88 -177.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.9 m -125.93 138.61 53.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.21 176.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.0 m -98.72 108.0 20.58 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 172.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.4 m -133.04 169.2 22.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.336 -172.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.888 ' HB3' ' HB2' ' A' ' 33' ' ' ASN . 86.7 mt-30 -74.93 153.12 38.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.991 174.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -71.57 98.64 1.91 Allowed 'General case' 0 CA--C 1.523 -0.094 0 CA-C-O 121.882 0.848 . . . . 0.0 110.447 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.496 ' H ' ' HG2' ' A' ' 56' ' ' MET . 7.8 t-80 -95.23 117.13 29.72 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 114.359 -1.291 . . . . 0.0 107.78 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.1 mp -67.91 -27.61 38.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.371 -176.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.435 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 55.0 mt -92.4 10.75 28.63 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.48 108.25 1.96 Allowed Glycine 0 C--N 1.335 0.487 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.577 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.496 ' HG2' ' H ' ' A' ' 52' ' ' HIS . 72.9 mtm -70.8 118.4 13.53 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.322 0.582 . . . . 0.0 111.439 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -90.45 112.03 23.52 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.608 -171.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.5 t -64.59 120.31 12.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.414 -1.266 . . . . 0.0 109.641 167.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -86.53 17.15 4.02 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -174.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.8 mt -99.83 -30.83 3.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.995 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.8 p -140.88 -7.91 1.06 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 72.37 20.76 3.94 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 125.28 1.432 . . . . 0.0 112.708 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.3 t -107.6 145.83 32.75 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.952 0.406 . . . . 0.0 110.154 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -96.84 7.17 47.22 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.521 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -77.91 89.58 4.1 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.976 0.893 . . . . 0.0 109.303 177.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.622 HG21 HD12 ' A' ' 38' ' ' ILE . 11.0 p -141.01 168.71 19.13 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.121 -173.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.18 132.46 51.79 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 171.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -70.19 119.06 13.82 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.072 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.97 152.47 24.45 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.138 -173.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.31 -112.18 2.86 Favored Glycine 0 C--N 1.332 0.336 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.601 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.52 -146.77 18.33 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 121.247 -0.501 . . . . 0.0 112.096 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -129.97 99.26 5.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.587 0.708 . . . . 0.0 111.143 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -119.68 95.79 4.92 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 172.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.2 pt -131.74 152.46 37.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.801 176.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.4 m -89.24 75.97 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.38 0.609 . . . . 0.0 109.64 172.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.1 tp -92.53 94.54 9.12 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.928 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -156.28 98.62 1.86 Allowed 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.293 -1.321 . . . . 0.0 107.528 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -123.75 103.69 8.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.8 0.81 . . . . 0.0 110.683 -177.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 . . . . . 0 C--O 1.243 0.719 0 CA-C-O 117.494 -1.241 . . . . 0.0 110.869 -177.957 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 . . . . . 0 CA--C 1.536 0.417 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 41.8 ttp -72.45 100.45 2.7 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.327 0.584 . . . . 0.0 109.547 173.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.0 p -105.42 126.28 51.94 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.81 -175.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 m -112.82 141.59 27.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.484 -176.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -88.94 121.9 31.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.488 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.686 HD12 HG21 ' A' ' 66' ' ' THR . 20.7 pt -119.47 142.32 35.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.747 -172.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.558 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 0.6 OUTLIER -111.23 127.67 55.68 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.12 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.622 ' HA ' HG22 ' A' ' 66' ' ' THR . 0.5 OUTLIER -70.24 144.39 51.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.184 -0.916 . . . . 0.0 113.322 -172.415 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -91.69 -13.62 31.41 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.054 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -108.45 -53.45 2.63 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -177.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 p -96.41 -1.81 46.77 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 118.963 0.802 . . . . 0.0 112.83 -172.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 50.97 83.21 0.05 Allowed 'General case' 0 C--N 1.35 0.616 0 C-N-CA 124.496 1.119 . . . . 0.0 112.565 -174.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -179.91 142.93 5.36 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.149 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.457 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 15.2 ptt180 -98.83 154.14 18.25 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.392 0.615 . . . . 0.0 112.433 -175.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.9 m -141.44 133.65 27.91 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.244 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 m -97.58 108.25 20.93 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 171.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.8 m -138.97 173.58 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.886 -172.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -71.31 134.7 46.96 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.849 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -64.12 129.51 40.3 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.939 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -129.84 125.7 36.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.535 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mp -66.83 -30.96 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 122.582 0.353 . . . . 0.0 111.115 -175.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -86.94 16.12 5.25 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 176.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 107.31 123.86 5.1 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.161 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.446 ' CB ' HD13 ' A' ' 38' ' ' ILE . 4.5 mpp? -71.92 138.64 48.27 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 122.704 0.402 . . . . 0.0 110.886 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -85.07 106.41 16.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.256 0.551 . . . . 0.0 111.438 -174.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.4 t -64.74 125.02 23.48 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.591 171.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -88.16 8.72 25.66 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.5 mt -91.23 -35.78 7.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.388 176.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.0 p -133.91 -6.57 2.76 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -174.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 71.69 21.76 4.23 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 125.032 1.333 . . . . 0.0 112.608 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.5 t -102.16 146.1 28.44 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.275 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -91.1 -0.2 57.67 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.397 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -77.72 84.49 4.06 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.511 0.672 . . . . 0.0 109.734 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.686 HG21 HD12 ' A' ' 38' ' ' ILE . 17.8 p -144.27 145.47 32.05 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.042 -172.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -117.63 121.19 40.25 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 173.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.601 ' HA ' ' HA ' ' A' ' 38' ' ' ILE . 61.3 tt0 -52.17 118.18 3.32 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 124.583 1.177 . . . . 0.0 112.093 -174.417 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.558 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . -67.2 111.07 3.74 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -175.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 159.82 130.87 1.18 Allowed Glycine 0 N--CA 1.443 -0.882 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.149 -177.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.64 -32.55 7.18 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.226 -0.512 . . . . 0.0 112.349 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.59 146.71 27.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.144 0.497 . . . . 0.0 110.557 179.228 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -117.28 111.85 19.96 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.792 175.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.42 HD11 HD12 ' A' ' 76' ' ' LEU . 8.8 tt -85.94 101.42 10.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 CA-C-O 122.427 1.108 . . . . 0.0 109.054 170.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.5 m -91.55 71.21 5.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.825 -1.079 . . . . 0.0 109.676 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.42 HD12 HD11 ' A' ' 74' ' ' ILE . 5.5 tt -78.03 114.27 16.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.104 -0.953 . . . . 0.0 108.769 -177.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -74.45 103.99 5.01 Favored 'General case' 0 C--N 1.332 -0.164 0 O-C-N 123.705 0.628 . . . . 0.0 109.784 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -117.31 141.37 48.39 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.398 -178.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 . . . . . 0 C--O 1.247 0.972 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 175.714 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 63.9 t30 . . . . . 0 N--CA 1.456 -0.163 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 15.1 tpt -101.53 107.53 18.85 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.681 0.277 . . . . 0.0 110.8 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.1 p -124.5 144.06 50.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.005 173.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 m -137.67 158.93 34.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 124.013 0.925 . . . . 0.0 110.105 176.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -98.71 129.98 45.18 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 174.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.642 HD12 HG21 ' A' ' 66' ' ' THR . 4.6 pt -128.63 128.1 67.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 121.362 0.601 . . . . 0.0 111.33 -178.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 tt -111.56 121.98 46.61 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -176.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 1.3 m -61.86 148.23 44.04 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -175.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -85.19 -21.62 29.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.106 -1.406 . . . . 0.0 109.385 170.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -94.64 -56.74 2.68 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -176.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.4 p -95.95 -5.07 42.19 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 117.83 0.286 . . . . 0.0 110.936 -174.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 53.73 31.45 12.89 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 125.454 1.502 . . . . 0.0 113.089 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.64 135.94 12.81 Favored Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.427 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.484 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 0.6 OUTLIER -103.35 146.41 28.51 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.584 0.707 . . . . 0.0 111.953 -177.278 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.4 m -142.55 131.82 23.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.857 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.2 m -89.22 109.07 19.99 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 173.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.1 m -134.88 172.26 16.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.44 -174.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -74.13 149.45 41.01 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.418 ' HA ' ' HG2' ' A' ' 56' ' ' MET . 78.5 t80 -71.55 104.69 3.37 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.756 0.788 . . . . 0.0 109.99 177.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -89.18 124.4 34.32 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 169.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.588 HD12 ' H ' ' A' ' 53' ' ' ILE . 3.3 mp -68.94 -32.93 56.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.846 -172.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.4 mt -91.75 17.41 9.03 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.673 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.55 109.91 1.57 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.713 177.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.418 ' HG2' ' HA ' ' A' ' 51' ' ' PHE . 46.4 mtm -68.58 131.89 46.0 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.455 0.702 . . . . 0.0 111.773 -177.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -85.64 115.07 23.11 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.694 -169.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.5 t -77.44 118.15 19.61 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 168.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -85.7 29.46 0.7 Allowed 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 122.241 1.019 . . . . 0.0 111.347 -173.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 28.4 mt -118.88 -40.46 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 O-C-N 121.698 -0.626 . . . . 0.0 109.47 174.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.1 p -129.37 -6.62 4.76 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -175.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 66.96 27.44 8.85 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 124.634 1.174 . . . . 0.0 112.613 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.2 t -104.69 143.96 32.37 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 172.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -100.62 6.6 44.15 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.772 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -76.33 89.46 3.17 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.668 0.747 . . . . 0.0 109.554 174.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.642 HG21 HD12 ' A' ' 38' ' ' ILE . 22.4 p -140.6 179.46 6.67 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.207 -169.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.66 131.18 25.4 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 171.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -66.57 119.19 11.28 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.342 0.592 . . . . 0.0 111.19 -177.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.71 85.38 7.29 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.34 -177.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.7 126.0 0.86 Allowed Glycine 0 N--CA 1.442 -0.966 0 N-CA-C 110.166 -1.174 . . . . 0.0 110.166 -176.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.67 -61.46 3.82 Favored Glycine 0 N--CA 1.454 -0.16 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 -170.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -107.04 97.3 7.09 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 166.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.0 tpt85 -88.43 97.49 11.09 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.5 pt -120.22 148.88 23.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.155 -177.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.2 p -84.37 -56.13 3.8 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 170.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.617 ' HB2' ' HG2' ' A' ' 79' ' ' GLN . 6.2 mp -128.43 165.83 19.89 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 170.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -70.91 -39.37 72.77 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -175.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.478 HE22 HD22 ' A' ' 76' ' ' LEU . 5.0 pm0 -90.93 2.61 56.09 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.171 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.617 ' HG2' ' HB2' ' A' ' 76' ' ' LEU . 14.7 mm100 . . . . . 0 C--O 1.243 0.713 0 CA-C-O 119.062 -0.494 . . . . 0.0 109.864 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 p30 . . . . . 0 CA--C 1.534 0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 110.08 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 15.1 ttt -56.34 112.24 1.19 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.366 1.066 . . . . 0.0 111.2 177.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.6 p -91.05 124.48 35.31 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.532 0.682 . . . . 0.0 111.957 -172.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.9 m -131.36 140.21 48.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.327 176.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -86.2 124.01 32.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.931 0.872 . . . . 0.0 110.003 175.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.533 HD13 HG21 ' A' ' 66' ' ' THR . 1.2 pp -120.33 132.65 69.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.369 -177.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.643 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 2.1 tt -107.1 120.92 43.39 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 -170.075 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.42 ' HA ' HG22 ' A' ' 66' ' ' THR . 1.6 m -64.51 144.14 57.41 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-N 114.933 -1.03 . . . . 0.0 113.273 -177.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -86.0 -13.0 48.85 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 113.493 -1.685 . . . . 0.0 109.399 170.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -99.52 -54.16 3.01 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.48 0.918 . . . . 0.0 113.48 -177.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.416 ' H ' ' HB3' ' A' ' 40' ' ' CYS . 13.4 p -98.03 -3.37 38.26 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.557 0.617 . . . . 0.0 112.279 -172.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.8 t30 52.42 80.75 0.09 Allowed 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.62 1.168 . . . . 0.0 111.581 -177.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.64 144.73 4.46 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.743 -176.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 28.1 ptt180 -105.29 149.71 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.497 0.665 . . . . 0.0 112.622 -173.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.4 m -134.63 128.86 33.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.99 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.0 m -86.15 109.98 19.26 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.421 HG11 ' O ' ' A' ' 57' ' ' LYS . 11.3 m -138.14 172.2 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.058 -175.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -73.31 150.39 41.93 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 120.799 0.333 . . . . 0.0 110.694 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -70.53 120.43 16.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.405 -175.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -122.64 129.51 51.94 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.582 -173.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.9 mt -65.33 -32.17 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.305 -177.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -94.61 25.13 4.14 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.097 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.46 126.99 5.54 Favored Glycine 0 C--N 1.339 0.744 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.677 177.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.419 ' CB ' HG12 ' A' ' 38' ' ' ILE . 4.8 mpp? -71.21 129.41 38.84 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.971 0.415 . . . . 0.0 110.819 179.363 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.421 ' O ' HG11 ' A' ' 49' ' ' VAL . 39.7 ttmt -92.78 109.47 20.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.569 0.7 . . . . 0.0 112.004 -170.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.62 127.56 31.89 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.871 173.225 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.01 -2.82 57.35 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -174.029 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.6 mt -79.04 -37.53 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.553 178.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 63' ' ' SER . 17.2 p -140.9 -4.54 1.19 Allowed 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -171.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 70.36 20.23 6.15 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 125.131 1.372 . . . . 0.0 112.806 176.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.401 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . 36.7 t -102.05 135.77 43.03 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.471 176.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -97.34 7.17 47.07 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.434 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -72.14 87.21 1.08 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 122.003 0.906 . . . . 0.0 108.932 172.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.533 HG21 HD13 ' A' ' 38' ' ' ILE . 20.4 p -142.82 166.31 24.98 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.636 -1.165 . . . . 0.0 109.881 -169.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.7 145.18 50.98 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 170.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.491 ' HA ' HG22 ' A' ' 38' ' ' ILE . 65.2 tt0 -70.04 116.68 10.7 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.067 0.46 . . . . 0.0 110.384 -177.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.643 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . -81.7 140.5 34.29 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.974 -176.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -136.69 112.54 0.96 Allowed Glycine 0 N--CA 1.432 -1.568 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.155 176.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.01 67.97 3.61 Favored Glycine 0 C--N 1.334 0.421 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 175.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -85.52 118.54 25.11 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.073 0.463 . . . . 0.0 110.716 -173.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -88.36 103.72 16.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.413 -0.812 . . . . 0.0 108.816 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.0 mt -92.06 124.06 44.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.475 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.7 m -80.79 114.82 19.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.49 97.24 7.5 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -90.85 -43.66 9.89 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.038 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 59.43 47.13 11.5 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 124.903 1.377 . . . . 0.0 110.245 -175.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.432 178.923 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 58.8 t30 . . . . . 0 C--O 1.234 0.269 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.3 ttp -151.96 123.94 8.08 Favored 'General case' 0 CA--C 1.524 -0.043 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.0 p -103.32 127.6 50.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.019 0.438 . . . . 0.0 110.991 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.9 m -122.86 140.81 45.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.642 174.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 20.3 t70 -87.21 123.69 32.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 176.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.622 HD12 HG21 ' A' ' 66' ' ' THR . 9.1 pt -115.97 129.28 72.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.438 0.637 . . . . 0.0 111.516 -177.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 tt -111.22 124.04 51.42 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.497 -0.774 . . . . 0.0 108.914 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.8 m -67.49 148.42 51.53 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -176.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -79.12 -25.59 42.96 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.105 -1.407 . . . . 0.0 109.453 169.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.71 -57.07 2.87 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -173.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.0 p -91.64 -10.58 39.84 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 117.942 0.337 . . . . 0.0 111.605 -174.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 55.97 41.5 29.75 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.044 0.938 . . . . 0.0 111.322 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.84 137.97 9.98 Favored Glycine 0 N--CA 1.44 -1.071 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.353 -177.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 16.2 ptt180 -100.55 149.4 23.76 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 124.376 0.692 . . . . 0.0 111.47 -174.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.0 m -147.86 123.76 10.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.939 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 37' ' ' ASP . 4.2 m -81.8 107.2 14.34 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 176.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.516 HG11 ' O ' ' A' ' 57' ' ' LYS . 34.2 m -130.8 171.12 18.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.129 -172.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -83.54 146.95 28.06 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 176.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -69.02 106.8 2.9 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.801 0.688 . . . . 0.0 109.869 178.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 54' ' ' LEU . 15.4 t-80 -108.48 128.37 54.74 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.164 -176.163 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.9 mm -65.29 -35.16 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.136 -176.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.445 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 5.0 mp -92.83 33.36 1.16 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.998 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.82 128.71 6.45 Favored Glycine 0 C--N 1.337 0.612 0 C-N-CA 121.591 -0.338 . . . . 0.0 113.268 176.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 71.6 mtm -85.98 121.94 29.32 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.263 0.554 . . . . 0.0 110.686 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.516 ' O ' HG11 ' A' ' 49' ' ' VAL . 22.8 ttmm -92.15 108.65 20.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.087 -170.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.49 133.17 53.43 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.63 168.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' HE3' HG12 ' A' ' 49' ' ' VAL . 35.6 mmtp -83.19 -9.18 59.3 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -170.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.2 mt -90.05 -30.94 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.426 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.9 p -144.2 -4.45 0.81 Allowed 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -176.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 63.98 21.34 12.57 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -178.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.4 t -88.23 144.93 26.16 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 121.198 0.523 . . . . 0.0 110.773 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -101.9 -2.22 30.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.499 -1.228 . . . . 0.0 110.162 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -78.73 86.83 4.65 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.933 0.873 . . . . 0.0 108.756 171.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.622 HG21 HD12 ' A' ' 38' ' ' ILE . 14.1 p -138.35 174.91 10.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.963 -171.16 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.32 163.3 31.32 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.57 -1.196 . . . . 0.0 108.021 170.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -77.78 144.32 37.23 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.609 -0.436 . . . . 0.0 109.998 175.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.94 166.24 23.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.72 0.771 . . . . 0.0 112.91 -171.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 102.99 -57.39 0.58 Allowed Glycine 0 N--CA 1.442 -0.959 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -168.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.19 -100.83 1.07 Allowed Glycine 0 C--N 1.341 0.809 0 O-C-N 124.192 0.584 . . . . 0.0 112.54 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -92.84 123.97 36.5 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 176.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.69 98.79 7.87 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 174.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.3 mt -94.19 146.03 7.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.235 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.3 m -67.16 96.47 0.46 Allowed 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.161 0.505 . . . . 0.0 110.128 172.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.0 tp -156.66 117.58 3.71 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.917 -171.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -91.05 95.12 9.93 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 173.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -147.6 112.48 5.42 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.637 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 . . . . . 0 C--O 1.252 1.214 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.594 178.097 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 . . . . . 0 C--O 1.241 0.618 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -67.42 104.28 1.5 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.046 0.45 . . . . 0.0 109.864 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.524 ' HB ' HG22 ' A' ' 48' ' ' THR . 6.2 p -138.58 128.43 25.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.543 -176.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.4 m -119.24 144.13 28.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.902 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -79.46 128.32 33.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.631 0.729 . . . . 0.0 109.363 174.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.623 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 1.6 pp -124.24 131.81 72.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.463 -172.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.459 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -107.49 119.32 39.09 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.923 -166.398 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.448 ' HB2' ' H ' ' A' ' 45' ' ' GLY . 1.1 m -62.1 141.79 57.94 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.713 177.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -86.67 -14.23 43.19 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.288 169.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -95.38 -54.34 3.43 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 4.6 p -101.8 -3.39 28.14 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.186 0.448 . . . . 0.0 112.132 -175.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 55.03 47.26 22.46 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.162 0.985 . . . . 0.0 112.552 -177.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.448 ' H ' ' HB2' ' A' ' 40' ' ' CYS . . . -133.64 134.71 7.61 Favored Glycine 0 CA--C 1.506 -0.512 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.755 -177.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.623 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 36.8 ptt180 -95.87 145.36 25.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.467 0.651 . . . . 0.0 111.678 -179.241 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.7 m -136.46 135.68 38.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.523 177.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.524 HG22 ' HB ' ' A' ' 35' ' ' THR . 3.0 m -90.2 106.89 18.79 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.851 178.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.8 m -141.13 173.77 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 114.768 -1.105 . . . . 0.0 108.309 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -72.29 155.57 40.05 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 120.746 0.308 . . . . 0.0 110.48 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -75.35 94.29 3.03 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.881 0.848 . . . . 0.0 110.529 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' A' ' 54' ' ' LEU . 36.9 t-80 -92.54 113.25 25.48 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.182 174.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.4 mt -64.1 -26.01 39.46 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 O-C-N 123.796 0.685 . . . . 0.0 112.315 -167.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.475 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 6.0 mp -87.11 16.11 5.43 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.73 118.37 3.14 Favored Glycine 0 C--N 1.334 0.433 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.465 ' HG3' ' H ' ' A' ' 52' ' ' HIS . 4.5 mpp? -79.66 148.7 31.51 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.924 0.392 . . . . 0.0 111.131 -177.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -82.31 111.18 18.14 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 121.631 0.729 . . . . 0.0 111.782 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.9 t -82.0 118.24 22.83 Favored 'General case' 0 C--O 1.209 -1.064 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 164.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.455 ' HA ' ' OE2' ' A' ' 62' ' ' GLU . 50.9 mtpt -82.88 -5.44 59.01 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 122.376 0.27 . . . . 0.0 111.665 -172.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 43.2 mt -80.32 -33.26 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 122.759 0.424 . . . . 0.0 110.8 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.0 p -135.94 -9.8 2.06 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -177.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.455 ' OE2' ' HA ' ' A' ' 59' ' ' LYS . 20.9 mm-40 69.18 29.75 4.55 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.056 1.342 . . . . 0.0 112.742 178.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.2 t -98.98 145.73 26.75 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.467 173.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -104.59 6.26 34.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.584 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -80.97 82.57 6.91 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 122.367 1.08 . . . . 0.0 108.841 173.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.5 p -137.96 150.48 47.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.206 -171.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.34 153.11 23.24 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 171.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.61 ' HA ' HG22 ' A' ' 38' ' ' ILE . 8.0 tt0 -81.81 120.46 25.19 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.8 -71.18 0.56 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.141 -175.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.44 87.94 0.86 Allowed Glycine 0 C--N 1.337 0.617 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.736 -178.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.13 -48.11 78.49 Favored Glycine 0 C--N 1.334 0.418 0 N-CA-C 114.47 0.548 . . . . 0.0 114.47 -175.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -118.0 126.9 53.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.983 0.42 . . . . 0.0 111.259 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -108.37 117.4 34.07 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.727 175.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.0 pt -110.81 95.5 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.776 0.798 . . . . 0.0 111.354 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 m -95.83 121.77 37.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.029 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.6 tt -121.79 110.01 15.39 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.358 0.599 . . . . 0.0 111.286 -171.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -118.53 121.02 39.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.903 170.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -105.52 97.67 7.48 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.246 -168.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.436 HE21 ' HB2' ' A' ' 79' ' ' GLN . 1.1 mp0 . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.186 -0.911 . . . . 0.0 109.685 173.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 . . . . . 0 C--O 1.237 0.437 0 CA-C-O 120.628 0.252 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 60.6 ttp -64.73 121.34 14.3 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.283 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.8 p -89.66 122.37 32.72 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.253 0.549 . . . . 0.0 111.113 -176.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.4 m -129.4 140.0 50.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.07 -176.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -94.59 121.53 36.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 122.021 0.915 . . . . 0.0 110.176 177.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.598 HD12 HG21 ' A' ' 66' ' ' THR . 1.9 pt -113.03 128.23 69.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.173 -176.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.584 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 3.3 tt -108.56 126.56 53.08 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.059 -169.11 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.462 ' HA ' HG22 ' A' ' 66' ' ' THR . 1.7 m -66.75 149.04 51.11 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -175.073 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -88.32 -12.2 44.15 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 113.648 -1.614 . . . . 0.0 109.418 169.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -101.31 -55.82 2.45 Favored 'General case' 0 C--N 1.351 0.637 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.6 p -97.62 -4.46 37.51 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.264 0.484 . . . . 0.0 111.398 -178.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 55.03 31.93 17.16 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 124.912 1.285 . . . . 0.0 113.673 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -125.69 146.41 16.18 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.489 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 25.6 ptt180 -104.6 150.99 24.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.333 0.587 . . . . 0.0 112.029 -172.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 51.1 m -137.15 126.14 24.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.206 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.0 m -87.18 110.62 20.27 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.701 0.762 . . . . 0.0 109.985 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.439 HG21 ' HB3' ' A' ' 56' ' ' MET . 4.3 m -128.82 173.05 14.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.755 -176.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -74.26 154.76 38.83 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 171.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -76.51 119.37 20.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.251 0.548 . . . . 0.0 110.833 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -113.86 126.74 55.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.209 177.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.6 mp -65.52 -34.61 71.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 122.613 0.365 . . . . 0.0 111.094 -173.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 54' ' ' LEU . 3.5 mm? -95.72 27.55 3.44 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.91 134.9 7.75 Favored Glycine 0 C--N 1.338 0.686 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.779 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.439 ' HB3' HG21 ' A' ' 49' ' ' VAL . 5.1 mpp? -95.5 172.77 7.87 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.779 0.324 . . . . 0.0 111.467 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -117.28 131.72 56.76 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.442 0.639 . . . . 0.0 112.547 -176.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.6 t -81.67 122.61 27.85 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 166.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -77.04 -15.35 59.63 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.681 0.392 . . . . 0.0 111.945 -175.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 20.4 mt -79.87 -35.77 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 123.084 0.554 . . . . 0.0 111.385 -174.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.0 p -140.31 4.97 2.04 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 65.82 30.32 10.09 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.394 1.078 . . . . 0.0 112.996 174.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.8 t -104.94 144.09 32.27 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.392 -175.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -96.66 -5.46 38.84 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.851 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -74.16 83.06 1.82 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.867 0.841 . . . . 0.0 109.439 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.598 HG21 HD12 ' A' ' 38' ' ' ILE . 22.3 p -144.93 161.67 38.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.702 -1.135 . . . . 0.0 110.495 -171.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.38 153.04 46.72 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 171.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -70.89 122.22 19.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 117.992 0.36 . . . . 0.0 110.218 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.584 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . -77.18 116.79 18.11 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.902 -175.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -175.36 -51.05 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.66 133.33 1.74 Allowed Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.562 177.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -93.65 108.86 20.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 174.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.45 ' HA ' ' HD2' ' A' ' 73' ' ' ARG . 13.5 tpt180 -80.93 100.8 9.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.89 0.852 . . . . 0.0 110.532 -178.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.6 pt -125.9 108.69 19.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 114.257 -1.338 . . . . 0.0 109.134 177.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.2 m -77.77 102.7 7.3 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.234 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.0 tp -105.4 142.96 34.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.633 -177.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -84.89 68.75 10.62 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.728 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -133.27 128.58 36.12 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.612 176.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 C--O 1.249 1.076 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -176.561 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 . . . . . 0 C--O 1.236 0.383 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 48.1 ttp -64.09 118.79 9.03 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 172.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.2 p -91.81 134.07 35.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.234 177.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.6 m -119.51 152.76 22.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.609 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -107.63 124.08 49.43 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.575 HD12 HG21 ' A' ' 66' ' ' THR . 11.5 pt -117.17 133.34 64.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 123.235 0.334 . . . . 0.0 110.97 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.609 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 1.1 tt -110.67 127.73 55.41 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -177.15 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.483 ' HB3' ' H ' ' A' ' 42' ' ' ASP . 1.3 m -66.44 145.33 55.79 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -96.28 16.59 17.91 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 114.288 -1.323 . . . . 0.0 110.356 169.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.483 ' H ' ' HB3' ' A' ' 40' ' ' CYS . 1.4 p30 -126.5 -54.56 1.45 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.422 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.6 p -98.1 -1.95 41.21 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -173.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.0 t30 56.07 31.08 17.44 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.934 1.294 . . . . 0.0 112.299 -176.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.92 137.73 10.63 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.503 -177.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.609 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 13.5 ptp180 -100.48 152.29 20.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.169 0.509 . . . . 0.0 111.26 -176.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.1 m -136.46 118.66 15.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.618 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.8 m -84.32 108.87 17.41 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 171.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.6 m -120.87 172.11 8.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 114.532 -1.213 . . . . 0.0 109.27 -176.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -76.78 143.62 39.72 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 173.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -68.93 116.17 9.09 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.574 0.702 . . . . 0.0 109.853 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -133.24 116.68 16.48 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 114.364 -1.289 . . . . 0.0 108.712 -170.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.5 mm -61.49 -40.62 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 124.009 0.818 . . . . 0.0 110.931 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -90.82 37.4 0.92 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.468 -178.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.17 113.0 2.78 Favored Glycine 0 C--N 1.335 0.524 0 C-N-CA 120.464 -0.874 . . . . 0.0 114.298 168.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.409 ' H ' ' HE1' ' A' ' 64' ' ' TYR . 52.4 mtm -108.2 113.18 26.1 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 170.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -118.59 130.05 55.67 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.092 -169.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -62.89 123.03 17.45 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.342 175.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.433 ' HA ' ' OE1' ' A' ' 62' ' ' GLU . 64.5 mttm -87.2 1.93 51.58 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -172.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.1 mt -81.54 -35.06 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.053 177.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.6 p -138.78 -8.91 1.39 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -174.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.433 ' OE1' ' HA ' ' A' ' 59' ' ' LYS . 10.7 mm-40 69.67 30.75 3.81 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 124.746 1.218 . . . . 0.0 112.324 176.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.2 t -100.83 144.22 30.04 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.253 174.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.409 ' HE1' ' H ' ' A' ' 56' ' ' MET . 60.2 t80 -91.26 -14.84 30.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.74 178.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -71.14 89.25 0.83 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.789 0.804 . . . . 0.0 110.855 -177.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.575 HG21 HD12 ' A' ' 38' ' ' ILE . 21.0 p -141.44 156.61 45.76 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.799 -172.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.3 119.73 31.98 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.205 -1.361 . . . . 0.0 107.652 175.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.45 ' HA ' ' HA ' ' A' ' 38' ' ' ILE . 25.0 tt0 -64.63 103.41 0.68 Allowed 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.741 0.651 . . . . 0.0 111.085 -174.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . -87.38 149.48 24.45 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.645 -169.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 75.43 -99.77 1.23 Allowed Glycine 0 CA--C 1.506 -0.478 0 CA-C-N 115.461 -0.791 . . . . 0.0 112.191 178.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.61 82.18 1.43 Allowed Glycine 0 N--CA 1.443 -0.895 0 O-C-N 124.132 0.548 . . . . 0.0 111.878 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -77.86 124.65 28.26 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.7 0.762 . . . . 0.0 109.776 174.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.46 107.34 18.02 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.795 -174.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.8 mt -91.69 94.41 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-N 114.44 -1.254 . . . . 0.0 108.587 173.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.2 m -101.43 -58.09 1.95 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.977 -1.01 . . . . 0.0 108.371 173.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.5 tp -120.5 100.49 7.17 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.148 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -154.39 18.07 0.48 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.529 1.156 . . . . 0.0 108.685 177.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -113.02 172.79 6.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.161 -171.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 . . . . . 0 C--O 1.244 0.77 0 CA-C-O 118.981 -0.533 . . . . 0.0 110.056 178.691 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.451 -0.403 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 p -100.81 125.69 47.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.87 175.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.1 m -115.04 143.84 23.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.27 172.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.41 ' OD2' ' HD2' ' A' ' 46' ' ' ARG . 37.7 t70 -94.19 122.16 36.44 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.6 pt -115.51 146.66 19.64 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 O-C-N 123.387 0.429 . . . . 0.0 110.975 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.487 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -110.38 150.07 29.34 Favored 'General case' 0 C--O 1.211 -0.973 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.525 ' HA ' HG22 ' A' ' 66' ' ' THR . 1.9 t -94.28 147.74 22.9 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 120.901 0.382 . . . . 0.0 111.008 -175.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -89.74 -29.34 18.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.144 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -97.83 -42.52 7.54 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -176.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.3 p -103.48 -3.04 25.9 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 119.789 -0.764 . . . . 0.0 111.751 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 55.9 31.34 17.63 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 174.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -117.02 148.59 18.85 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.487 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 23.6 ptt180 -104.02 143.9 32.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.831 0.824 . . . . 0.0 112.105 -175.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.6 m -129.37 124.27 33.83 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 114.073 -1.421 . . . . 0.0 109.411 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.2 m -87.47 107.35 18.52 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 172.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 m -126.93 175.21 9.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 114.486 -1.234 . . . . 0.0 108.308 -176.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -74.05 157.45 36.06 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.842 171.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -77.63 110.48 12.48 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 173.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -122.33 112.02 17.61 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.706 -1.134 . . . . 0.0 108.374 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.5 mt -68.63 -30.23 46.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.054 -175.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.2 mt -81.91 -0.03 41.95 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.65 118.71 1.83 Allowed Glycine 0 C--N 1.339 0.723 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.472 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 64.4 mtm -98.28 109.04 21.86 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -79.31 123.51 27.53 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.481 0.658 . . . . 0.0 111.604 -174.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 44.8 t -72.27 118.63 15.4 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.303 168.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -78.06 -3.63 43.19 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.962 -175.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.1 mt -91.64 -33.47 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.078 -175.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 22.3 p -143.2 4.26 1.41 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -172.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 68.65 21.52 7.89 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 124.02 0.928 . . . . 0.0 113.152 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.6 t -107.67 145.82 32.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.334 0.588 . . . . 0.0 110.913 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -98.09 2.62 48.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.08 -0.963 . . . . 0.0 111.012 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -79.16 88.06 4.88 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.99 0.9 . . . . 0.0 109.382 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.525 HG22 ' HA ' ' A' ' 40' ' ' CYS . 7.2 p -141.0 151.6 44.26 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.888 -173.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -111.56 -179.71 3.78 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 173.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -96.15 130.11 43.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 118.777 0.717 . . . . 0.0 110.157 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.252 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.816 179.091 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.9 ttp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.6 p -98.19 124.9 43.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.492 0.663 . . . . 0.0 111.911 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.1 m -115.89 158.82 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.845 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -97.68 127.86 43.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.106 174.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.678 HD12 HG21 ' A' ' 66' ' ' THR . 12.2 pt -119.38 131.49 71.86 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.85 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.963 177.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.411 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 1.6 tt -112.2 122.7 48.47 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -177.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.553 ' HA ' HG22 ' A' ' 66' ' ' THR . 1.4 m -66.53 151.86 46.39 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -177.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -95.03 -6.13 42.92 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 113.596 -1.638 . . . . 0.0 110.102 171.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.65 -56.82 2.22 Favored 'General case' 0 C--N 1.344 0.33 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -176.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 p -91.02 -9.99 43.86 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 117.971 0.35 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.1 m120 57.82 34.28 24.2 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 124.749 1.281 . . . . 0.0 111.805 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.36 148.08 16.68 Favored Glycine 0 N--CA 1.441 -1.03 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.573 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.449 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 11.3 ptm180 -98.02 156.97 16.39 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.402 0.62 . . . . 0.0 111.633 -175.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.2 m -142.99 128.29 18.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.348 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -87.5 108.46 19.04 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 171.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.517 HG21 ' HB3' ' A' ' 56' ' ' MET . 17.4 m -129.6 160.32 40.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.181 -171.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.9 136.39 41.45 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 172.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -64.36 110.0 2.11 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.955 0.883 . . . . 0.0 111.378 -176.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -104.57 120.88 42.31 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 114.187 -1.37 . . . . 0.0 108.606 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.5 mp -66.41 -30.21 49.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-O 121.221 0.534 . . . . 0.0 110.577 -175.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -88.09 11.19 16.81 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.525 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.96 121.18 3.33 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 121.437 -0.411 . . . . 0.0 113.208 175.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.517 ' HB3' HG21 ' A' ' 49' ' ' VAL . 4.6 mpp? -75.24 138.22 41.76 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 122.557 0.343 . . . . 0.0 110.465 176.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -108.26 123.63 49.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.361 0.6 . . . . 0.0 111.006 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.82 131.62 43.3 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.977 178.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -75.85 -16.22 60.1 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.6 mt -74.05 -45.97 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 122.76 0.424 . . . . 0.0 111.132 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 15.4 p -135.63 -0.72 2.59 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -168.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 67.47 23.31 9.08 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 124.61 1.164 . . . . 0.0 112.96 175.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.5 t -96.58 148.02 23.27 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.308 0.575 . . . . 0.0 110.448 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -98.14 -8.63 27.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.367 -1.288 . . . . 0.0 111.085 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -75.75 91.87 2.97 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-O 121.691 0.758 . . . . 0.0 110.253 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.678 HG21 HD12 ' A' ' 38' ' ' ILE . 17.7 p -144.48 170.41 16.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.202 -171.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -128.29 144.86 51.17 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 172.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -78.04 115.51 17.83 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 118.495 0.589 . . . . 0.0 110.004 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . . . . . . 0 C--O 1.238 0.484 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.675 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.1 ptm . . . . . 0 C--O 1.234 0.284 0 CA-C-O 121.014 0.435 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 p -97.85 124.73 42.37 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.785 0.803 . . . . 0.0 110.817 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.466 ' HB ' HE21 ' A' ' 68' ' ' GLN . 35.5 m -118.15 157.03 19.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.071 -175.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.447 ' OD2' ' HD2' ' A' ' 46' ' ' ARG . 32.6 t70 -107.95 125.77 51.9 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.654 HD12 HG21 ' A' ' 66' ' ' THR . 3.4 pt -123.33 132.04 72.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.055 -178.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.544 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 2.4 tt -109.74 126.3 53.59 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -176.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.412 ' HB3' ' H ' ' A' ' 43' ' ' CYS . 4.5 m -69.12 144.33 53.91 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -85.69 -20.1 29.89 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.244 -1.344 . . . . 0.0 109.671 167.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -91.58 -47.14 7.57 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -173.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.412 ' H ' ' HB3' ' A' ' 40' ' ' CYS . 9.2 p -104.19 -2.87 25.13 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.483 0.583 . . . . 0.0 111.421 -178.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 57.92 31.47 20.62 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.387 1.075 . . . . 0.0 112.666 -177.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.2 142.34 13.78 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 121.131 -0.557 . . . . 0.0 111.995 -178.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.544 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 15.4 ptt180 -104.2 153.52 20.87 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.584 0.706 . . . . 0.0 111.903 -176.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 m -141.99 141.28 32.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.503 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.6 m -95.32 108.61 20.79 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.614 0.721 . . . . 0.0 109.112 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.483 HG11 ' O ' ' A' ' 57' ' ' LYS . 29.2 m -128.39 172.84 14.39 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.639 0 CA-C-N 114.521 -1.218 . . . . 0.0 108.999 -176.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -74.99 152.47 38.74 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 118.226 0.466 . . . . 0.0 110.41 175.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -70.05 110.51 5.14 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.458 0.647 . . . . 0.0 109.572 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -116.86 119.57 35.8 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.658 -1.155 . . . . 0.0 109.551 -172.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mp -69.99 -27.87 34.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.57 -176.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.9 mt -88.54 16.71 6.17 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.248 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.52 122.59 4.4 Favored Glycine 0 C--N 1.334 0.468 0 N-CA-C 111.964 -0.455 . . . . 0.0 111.964 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.402 ' HB3' HD13 ' A' ' 38' ' ' ILE . 65.0 mtm -88.71 127.21 35.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.411 0.624 . . . . 0.0 111.233 -177.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.483 ' O ' HG11 ' A' ' 49' ' ' VAL . 37.9 ttpt -103.74 113.52 27.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.452 -169.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 137.64 56.07 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.594 171.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -80.44 -11.24 59.71 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.997 0.739 . . . . 0.0 112.997 -171.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.7 mt -82.73 -35.41 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.988 -176.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.9 p -136.54 -11.42 1.84 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -173.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 67.39 26.84 8.3 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.68 1.192 . . . . 0.0 113.214 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.9 m -98.66 153.29 18.81 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.473 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -103.06 5.04 37.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.545 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -78.57 81.4 4.9 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.654 HG21 HD12 ' A' ' 38' ' ' ILE . 20.5 p -138.34 157.91 45.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.825 0.822 . . . . 0.0 112.039 -172.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.12 132.7 51.81 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 113.967 -1.469 . . . . 0.0 107.576 171.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.466 HE21 ' HB ' ' A' ' 36' ' ' VAL . 61.0 tt0 -69.16 118.43 12.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.09 0.471 . . . . 0.0 111.095 -175.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.253 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.541 179.232 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.561 HG22 HE21 ' A' ' 50' ' ' GLN . 24.8 p -115.72 126.78 54.52 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.694 -172.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.4 m -118.35 144.58 26.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.189 172.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.469 ' HB3' ' HB3' ' A' ' 69' ' ' ALA . 1.1 t70 -93.06 133.47 36.19 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 175.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.545 HD12 HG21 ' A' ' 66' ' ' THR . 8.3 pt -120.33 132.63 69.44 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 O-C-N 123.301 0.375 . . . . 0.0 110.586 178.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.636 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 1.3 tt -110.14 127.35 54.86 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -177.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.556 ' HA ' HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -67.27 148.43 51.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.971 -1.013 . . . . 0.0 113.006 -175.823 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -93.29 -19.26 21.55 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.846 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -100.9 -54.89 2.7 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -176.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.1 p -95.04 -2.32 50.45 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.14 0.427 . . . . 0.0 112.115 -174.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 51.04 43.58 28.94 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 124.488 1.115 . . . . 0.0 112.954 -175.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -127.03 129.71 6.63 Favored Glycine 0 N--CA 1.436 -1.359 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.444 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.636 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 12.7 ptm180 -96.49 154.68 17.13 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.507 0.67 . . . . 0.0 111.967 -178.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.5 m -139.72 121.66 15.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.611 -177.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 m -80.44 109.01 14.53 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.0 m -129.13 171.59 16.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.065 -171.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.561 HE21 HG22 ' A' ' 35' ' ' THR . 2.2 mp0 -85.78 147.25 26.41 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 172.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -66.63 117.48 8.85 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.36 0.6 . . . . 0.0 110.644 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -108.29 128.15 54.49 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.594 -1.185 . . . . 0.0 108.733 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 mp -63.51 -34.75 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.515 0.726 . . . . 0.0 110.852 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.66 12.17 11.26 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.722 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.616 ' HA3' ' HE1' ' A' ' 64' ' ' TYR . . . 100.66 134.02 8.36 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.441 -0.409 . . . . 0.0 112.333 177.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -78.67 146.45 34.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.025 0.441 . . . . 0.0 110.434 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -111.46 127.68 55.76 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.04 -174.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 18.5 t -65.42 124.1 21.39 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.345 172.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -86.96 13.6 8.83 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -173.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 21.4 mt -114.96 -42.66 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.67 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.0 p -126.26 -2.99 6.9 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 120.362 -0.535 . . . . 0.0 112.136 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 59.11 54.59 4.83 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.476 1.11 . . . . 0.0 112.979 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 99.2 p -116.47 154.94 29.47 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.951 176.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.616 ' HE1' ' HA3' ' A' ' 55' ' ' GLY . 77.9 t80 -89.21 -13.64 37.79 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.961 173.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -73.62 80.8 1.51 Allowed 'General case' 0 C--O 1.24 0.582 0 CA-C-O 122.125 0.964 . . . . 0.0 110.666 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.556 HG22 ' HA ' ' A' ' 40' ' ' CYS . 9.5 p -145.42 151.07 37.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.313 -1.312 . . . . 0.0 109.873 -174.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.46 177.81 4.57 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 107.529 -1.285 . . . . 0.0 107.529 168.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -88.5 133.48 34.13 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 172.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.514 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.264 0.554 . . . . 0.0 110.996 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 C--O 1.22 -0.493 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.1 p -108.06 126.45 52.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.793 0.33 . . . . 0.0 111.328 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.7 m -123.4 147.02 27.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.484 175.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -96.38 129.52 43.71 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 174.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.613 HD13 HG21 ' A' ' 66' ' ' THR . 1.4 pp -129.12 146.81 33.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.734 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -173.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.0 mt -109.21 133.68 52.71 Favored 'General case' 0 CA--C 1.512 -0.505 0 O-C-N 123.762 0.664 . . . . 0.0 109.364 177.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.507 ' HA ' HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -72.07 145.28 48.33 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.619 -176.716 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -97.11 8.9 43.55 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.701 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -127.43 -55.56 1.33 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.229 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 8.8 p -96.74 -5.28 39.01 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 118.475 0.579 . . . . 0.0 110.718 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.419 ' H ' ' HB3' ' A' ' 40' ' ' CYS . 3.3 m-20 57.8 30.52 19.13 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.435 1.494 . . . . 0.0 113.988 175.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.21 151.05 18.53 Favored Glycine 0 C--N 1.336 0.551 0 C-N-CA 121.271 -0.49 . . . . 0.0 111.993 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.498 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 8.6 ptp180 -94.51 154.77 17.24 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.313 0.578 . . . . 0.0 112.082 -176.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.4 m -147.82 126.45 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.605 175.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 m -85.95 108.11 18.05 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 173.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.5 m -142.46 175.11 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.102 -171.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -73.46 138.43 45.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.715 178.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -67.37 121.15 15.13 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.785 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -132.15 121.94 24.53 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 113.836 -1.529 . . . . 0.0 108.086 -173.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.1 mp -67.63 -27.59 38.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 123.031 0.532 . . . . 0.0 110.954 -173.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -89.59 28.66 1.26 Allowed 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.42 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.813 ' HA3' ' HB3' ' A' ' 64' ' ' TYR . . . 98.7 132.64 7.72 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 116.152 -0.477 . . . . 0.0 112.178 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -80.23 135.49 36.27 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.787 0.327 . . . . 0.0 110.291 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.02 110.53 6.57 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 121.731 0.777 . . . . 0.0 111.374 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.5 t -81.02 124.21 28.99 Favored 'General case' 0 C--O 1.212 -0.892 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 169.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -82.86 -0.51 48.51 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -173.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.9 mt -91.06 -33.21 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.2 p -141.97 0.02 1.35 Allowed 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -175.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 65.11 20.95 12.13 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 125.155 1.382 . . . . 0.0 113.301 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.4 t -90.82 147.38 23.23 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.04 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.813 ' HB3' ' HA3' ' A' ' 55' ' ' GLY . 81.6 m-85 -101.11 -3.43 29.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.451 -178.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -77.79 90.62 4.06 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.515 0.674 . . . . 0.0 109.588 178.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.613 HG21 HD13 ' A' ' 38' ' ' ILE . 21.0 p -143.66 143.76 31.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.928 -171.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.31 147.11 41.87 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 173.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.509 ' HA ' HG22 ' A' ' 38' ' ' ILE . 53.8 tt0 -64.81 127.51 31.87 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.249 0.547 . . . . 0.0 111.939 -173.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.2 0 CA-C-N 115.105 -0.952 . . . . 0.0 113.404 -167.661 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 24.6 ttt . . . . . 0 N--CA 1.448 -0.546 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.0 p -90.78 124.17 34.92 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.988 0.423 . . . . 0.0 110.697 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.6 m -118.73 150.17 21.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.891 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.473 ' OD2' ' HD2' ' A' ' 46' ' ' ARG . 35.7 t70 -102.15 125.66 48.91 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.459 ' HB ' ' HB ' ' A' ' 66' ' ' THR . 4.3 pt -119.09 130.07 74.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.043 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.623 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 1.5 tt -109.43 130.39 55.5 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -174.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.36 139.69 39.79 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.183 -174.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -85.96 -12.58 50.09 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.538 -1.21 . . . . 0.0 112.987 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -117.41 -51.09 2.52 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.4 p -86.29 -1.48 57.54 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 118.407 0.549 . . . . 0.0 112.432 -174.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.2 m120 54.91 82.5 0.09 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.821 1.248 . . . . 0.0 112.683 175.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 166.48 151.26 6.72 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -175.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.623 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 17.4 ptt180 -117.34 157.58 25.88 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -173.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.0 m -133.69 121.59 22.17 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.285 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.0 m -88.26 109.37 19.89 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 172.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.481 HG12 ' HE2' ' A' ' 59' ' ' LYS . 16.1 m -128.81 171.77 16.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.29 -1.323 . . . . 0.0 109.474 -172.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -75.8 138.59 41.27 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 174.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -66.29 121.1 14.49 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 123.859 0.725 . . . . 0.0 110.319 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -119.84 128.53 53.77 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.321 -1.309 . . . . 0.0 108.548 -176.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.7 mm -65.24 -36.4 77.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.122 0.569 . . . . 0.0 110.408 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -83.07 -6.94 59.68 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.582 -177.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.53 132.3 3.46 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.652 -0.785 . . . . 0.0 113.44 176.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -87.47 133.03 33.81 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 175.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -95.21 128.75 42.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.121 0.486 . . . . 0.0 110.682 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.8 t -66.35 127.4 32.11 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.857 172.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.481 ' HE2' HG12 ' A' ' 49' ' ' VAL . 67.8 mttm -89.03 26.96 1.45 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.18 0.514 . . . . 0.0 112.268 -176.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.3 mt -121.07 -43.19 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.5 p -125.32 0.69 7.73 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 59.69 28.24 17.64 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.5 t -116.31 160.63 20.21 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.243 -0.286 . . . . 0.0 110.234 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -97.88 27.92 4.2 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-O 122.883 1.325 . . . . 0.0 110.198 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -87.43 39.26 0.86 Allowed 'General case' 0 CA--C 1.551 0.982 0 O-C-N 121.019 -1.051 . . . . 0.0 111.279 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.459 ' HB ' ' HB ' ' A' ' 38' ' ' ILE . 22.7 p -114.48 144.11 43.86 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.276 -177.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.93 135.89 47.72 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.072 -0.967 . . . . 0.0 108.72 176.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.35 117.53 8.73 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.477 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.947 -175.3 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 58.5 ttp . . . . . 0 C--O 1.235 0.306 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.526 ' HB ' HG22 ' A' ' 48' ' ' THR . 12.0 p -91.65 125.84 36.52 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.242 0.544 . . . . 0.0 110.345 176.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.2 m -122.07 146.84 26.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.33 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.41 134.07 33.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.647 176.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.673 HD12 HG21 ' A' ' 66' ' ' THR . 2.6 pt -130.44 125.16 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.283 177.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 tt -109.95 119.57 39.73 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -175.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.417 ' HB3' ' H ' ' A' ' 43' ' ' CYS . 1.3 m -60.26 144.16 51.0 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -175.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -86.32 -10.66 54.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.984 169.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -101.92 -54.69 2.66 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.417 ' H ' ' HB3' ' A' ' 40' ' ' CYS . 6.1 p -99.52 -3.3 33.77 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 118.687 0.676 . . . . 0.0 112.305 -175.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 52.99 31.52 11.15 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.77 1.228 . . . . 0.0 113.697 -176.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -117.82 136.01 12.13 Favored Glycine 0 N--CA 1.442 -0.928 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 18.5 ptt85 -94.59 150.4 20.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.313 0.578 . . . . 0.0 111.081 -179.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.9 m -135.59 127.37 29.23 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.344 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.526 HG22 ' HB ' ' A' ' 35' ' ' THR . 2.1 m -86.37 108.53 18.5 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 171.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.3 m -131.77 171.58 17.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.802 -173.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -72.95 147.01 45.64 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -71.64 108.9 5.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.456 -177.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -110.52 116.66 31.77 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.58 -1.191 . . . . 0.0 108.515 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mp -61.5 -36.23 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 123.345 0.658 . . . . 0.0 111.324 -173.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -90.3 38.09 0.92 Allowed 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 121.008 0.432 . . . . 0.0 111.618 177.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.83 114.33 3.46 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 116.314 -0.403 . . . . 0.0 113.233 173.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.2 mpp? -71.38 133.56 46.05 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 173.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -100.28 122.82 43.68 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.22 0.534 . . . . 0.0 111.682 -176.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.1 t -69.17 127.35 32.79 Favored 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.666 171.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.409 ' HA ' ' OE1' ' A' ' 62' ' ' GLU . 52.6 mtmt -89.91 0.99 56.75 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -172.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.5 mt -84.41 -36.09 11.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-O 120.807 0.337 . . . . 0.0 110.238 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 16.1 p -131.76 -8.11 3.58 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -175.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.409 ' OE1' ' HA ' ' A' ' 59' ' ' LYS . 8.3 mm-40 70.96 34.44 1.9 Allowed 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.66 1.184 . . . . 0.0 112.451 176.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.4 m -112.65 141.85 45.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.063 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -95.2 0.71 54.3 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.991 177.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -72.18 87.0 1.08 Allowed 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.689 0.757 . . . . 0.0 109.914 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.673 HG21 HD12 ' A' ' 38' ' ' ILE . 17.3 p -142.34 164.19 30.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.456 -171.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.26 122.97 40.35 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.24 -1.346 . . . . 0.0 108.099 173.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -65.85 117.09 7.74 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.633 0.583 . . . . 0.0 110.515 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.345 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.465 -177.067 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.465 0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.1 p -90.04 122.84 33.4 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.768 0.794 . . . . 0.0 110.772 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -126.62 157.52 37.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.29 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -103.07 124.05 47.8 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.921 0.867 . . . . 0.0 110.996 178.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.622 HD12 HG21 ' A' ' 66' ' ' THR . 5.3 pt -121.08 133.89 66.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.497 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.658 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 1.5 tt -109.26 121.32 44.92 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -173.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.488 ' HA ' HG22 ' A' ' 66' ' ' THR . 0.0 OUTLIER -65.2 146.19 55.28 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -175.869 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -91.54 -22.41 20.37 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.537 172.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -91.45 -54.39 3.93 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 -175.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 9.3 p -96.48 -1.79 46.58 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 117.628 0.195 . . . . 0.0 110.945 -177.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 54.43 30.89 13.59 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.229 1.412 . . . . 0.0 114.076 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.43 144.33 15.01 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.658 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 15.9 ptt180 -97.25 148.19 23.36 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.512 0.672 . . . . 0.0 111.88 -177.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.9 m -125.93 138.61 53.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.21 176.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.0 m -98.72 108.0 20.58 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 172.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.4 m -133.04 169.2 22.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.336 -172.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -74.93 153.12 38.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.991 174.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -71.57 98.64 1.91 Allowed 'General case' 0 CA--C 1.523 -0.094 0 CA-C-O 121.882 0.848 . . . . 0.0 110.447 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.496 ' H ' ' HG2' ' A' ' 56' ' ' MET . 7.8 t-80 -95.23 117.13 29.72 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 114.359 -1.291 . . . . 0.0 107.78 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.1 mp -67.91 -27.61 38.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.371 -176.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.435 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 55.0 mt -92.4 10.75 28.63 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.48 108.25 1.96 Allowed Glycine 0 C--N 1.335 0.487 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.577 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.496 ' HG2' ' H ' ' A' ' 52' ' ' HIS . 72.9 mtm -70.8 118.4 13.53 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.322 0.582 . . . . 0.0 111.439 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -90.45 112.03 23.52 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.608 -171.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.5 t -64.59 120.31 12.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.414 -1.266 . . . . 0.0 109.641 167.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -86.53 17.15 4.02 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -174.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.8 mt -99.83 -30.83 3.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.995 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.8 p -140.88 -7.91 1.06 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 72.37 20.76 3.94 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 125.28 1.432 . . . . 0.0 112.708 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.3 t -107.6 145.83 32.75 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.952 0.406 . . . . 0.0 110.154 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -96.84 7.17 47.22 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.521 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -77.91 89.58 4.1 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.976 0.893 . . . . 0.0 109.303 177.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.622 HG21 HD12 ' A' ' 38' ' ' ILE . 11.0 p -141.01 168.71 19.13 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.121 -173.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.18 132.46 51.79 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 171.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -70.19 119.06 13.82 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.072 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.337 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.138 -173.39 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 41.8 ttp . . . . . 0 C--O 1.24 0.558 0 CA-C-O 121.327 0.584 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.0 p -105.42 126.28 51.94 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.81 -175.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 m -112.82 141.59 27.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.484 -176.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -88.94 121.9 31.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.488 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.686 HD12 HG21 ' A' ' 66' ' ' THR . 20.7 pt -119.47 142.32 35.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.747 -172.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.558 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 0.6 OUTLIER -111.23 127.67 55.68 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.12 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.622 ' HA ' HG22 ' A' ' 66' ' ' THR . 0.5 OUTLIER -70.24 144.39 51.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.184 -0.916 . . . . 0.0 113.322 -172.415 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -91.69 -13.62 31.41 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.054 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -108.45 -53.45 2.63 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -177.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 p -96.41 -1.81 46.77 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 118.963 0.802 . . . . 0.0 112.83 -172.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 50.97 83.21 0.05 Allowed 'General case' 0 C--N 1.35 0.616 0 C-N-CA 124.496 1.119 . . . . 0.0 112.565 -174.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -179.91 142.93 5.36 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.149 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.457 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 15.2 ptt180 -98.83 154.14 18.25 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.392 0.615 . . . . 0.0 112.433 -175.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.9 m -141.44 133.65 27.91 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.244 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 m -97.58 108.25 20.93 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 171.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.8 m -138.97 173.58 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.886 -172.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -71.31 134.7 46.96 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.849 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -64.12 129.51 40.3 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.939 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -129.84 125.7 36.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.535 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mp -66.83 -30.96 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 122.582 0.353 . . . . 0.0 111.115 -175.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -86.94 16.12 5.25 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 176.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 107.31 123.86 5.1 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.161 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.446 ' CB ' HD13 ' A' ' 38' ' ' ILE . 4.5 mpp? -71.92 138.64 48.27 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 122.704 0.402 . . . . 0.0 110.886 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -85.07 106.41 16.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.256 0.551 . . . . 0.0 111.438 -174.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.4 t -64.74 125.02 23.48 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.591 171.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -88.16 8.72 25.66 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.5 mt -91.23 -35.78 7.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.388 176.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.0 p -133.91 -6.57 2.76 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -174.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 71.69 21.76 4.23 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 125.032 1.333 . . . . 0.0 112.608 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.5 t -102.16 146.1 28.44 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.275 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -91.1 -0.2 57.67 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.397 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -77.72 84.49 4.06 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.511 0.672 . . . . 0.0 109.734 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.686 HG21 HD12 ' A' ' 38' ' ' ILE . 17.8 p -144.27 145.47 32.05 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.042 -172.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -117.63 121.19 40.25 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 173.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.601 ' HA ' ' HA ' ' A' ' 38' ' ' ILE . 61.3 tt0 -52.17 118.18 3.32 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 124.583 1.177 . . . . 0.0 112.093 -174.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.558 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . . . . . . 0 C--O 1.236 0.355 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -175.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 N--CA 1.449 -0.494 0 CA-C-O 120.681 0.277 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.1 p -124.5 144.06 50.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.005 173.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 m -137.67 158.93 34.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 124.013 0.925 . . . . 0.0 110.105 176.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -98.71 129.98 45.18 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 174.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.642 HD12 HG21 ' A' ' 66' ' ' THR . 4.6 pt -128.63 128.1 67.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 121.362 0.601 . . . . 0.0 111.33 -178.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 tt -111.56 121.98 46.61 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -176.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 1.3 m -61.86 148.23 44.04 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -175.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -85.19 -21.62 29.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.106 -1.406 . . . . 0.0 109.385 170.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -94.64 -56.74 2.68 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -176.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.4 p -95.95 -5.07 42.19 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 117.83 0.286 . . . . 0.0 110.936 -174.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 53.73 31.45 12.89 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 125.454 1.502 . . . . 0.0 113.089 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.64 135.94 12.81 Favored Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.427 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.484 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 0.6 OUTLIER -103.35 146.41 28.51 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.584 0.707 . . . . 0.0 111.953 -177.278 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.4 m -142.55 131.82 23.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.857 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.2 m -89.22 109.07 19.99 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 173.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.1 m -134.88 172.26 16.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.44 -174.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -74.13 149.45 41.01 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.418 ' HA ' ' HG2' ' A' ' 56' ' ' MET . 78.5 t80 -71.55 104.69 3.37 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.756 0.788 . . . . 0.0 109.99 177.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -89.18 124.4 34.32 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 169.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.588 HD12 ' H ' ' A' ' 53' ' ' ILE . 3.3 mp -68.94 -32.93 56.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.846 -172.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.4 mt -91.75 17.41 9.03 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.673 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.55 109.91 1.57 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.713 177.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.418 ' HG2' ' HA ' ' A' ' 51' ' ' PHE . 46.4 mtm -68.58 131.89 46.0 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.455 0.702 . . . . 0.0 111.773 -177.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -85.64 115.07 23.11 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.694 -169.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.5 t -77.44 118.15 19.61 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 168.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -85.7 29.46 0.7 Allowed 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 122.241 1.019 . . . . 0.0 111.347 -173.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 28.4 mt -118.88 -40.46 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 O-C-N 121.698 -0.626 . . . . 0.0 109.47 174.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.1 p -129.37 -6.62 4.76 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -175.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 66.96 27.44 8.85 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 124.634 1.174 . . . . 0.0 112.613 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.2 t -104.69 143.96 32.37 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 172.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -100.62 6.6 44.15 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.772 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -76.33 89.46 3.17 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.668 0.747 . . . . 0.0 109.554 174.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.642 HG21 HD12 ' A' ' 38' ' ' ILE . 22.4 p -140.6 179.46 6.67 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.207 -169.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.66 131.18 25.4 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 171.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -66.57 119.19 11.28 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.342 0.592 . . . . 0.0 111.19 -177.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.504 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.34 -177.92 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 15.1 ttt . . . . . 0 N--CA 1.471 0.591 0 CA-C-O 120.546 0.212 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.6 p -91.05 124.48 35.31 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.532 0.682 . . . . 0.0 111.957 -172.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.9 m -131.36 140.21 48.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.327 176.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -86.2 124.01 32.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.931 0.872 . . . . 0.0 110.003 175.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.533 HD13 HG21 ' A' ' 66' ' ' THR . 1.2 pp -120.33 132.65 69.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.369 -177.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.643 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 2.1 tt -107.1 120.92 43.39 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 -170.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.42 ' HA ' HG22 ' A' ' 66' ' ' THR . 1.6 m -64.51 144.14 57.41 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-N 114.933 -1.03 . . . . 0.0 113.273 -177.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -86.0 -13.0 48.85 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 113.493 -1.685 . . . . 0.0 109.399 170.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -99.52 -54.16 3.01 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.48 0.918 . . . . 0.0 113.48 -177.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.416 ' H ' ' HB3' ' A' ' 40' ' ' CYS . 13.4 p -98.03 -3.37 38.26 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.557 0.617 . . . . 0.0 112.279 -172.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.8 t30 52.42 80.75 0.09 Allowed 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.62 1.168 . . . . 0.0 111.581 -177.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.64 144.73 4.46 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.743 -176.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 28.1 ptt180 -105.29 149.71 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.497 0.665 . . . . 0.0 112.622 -173.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.4 m -134.63 128.86 33.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.99 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.0 m -86.15 109.98 19.26 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.421 HG11 ' O ' ' A' ' 57' ' ' LYS . 11.3 m -138.14 172.2 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.058 -175.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.31 150.39 41.93 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 120.799 0.333 . . . . 0.0 110.694 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -70.53 120.43 16.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.405 -175.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -122.64 129.51 51.94 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.582 -173.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.9 mt -65.33 -32.17 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.305 -177.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -94.61 25.13 4.14 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.097 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.46 126.99 5.54 Favored Glycine 0 C--N 1.339 0.744 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.677 177.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.419 ' CB ' HG12 ' A' ' 38' ' ' ILE . 4.8 mpp? -71.21 129.41 38.84 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.971 0.415 . . . . 0.0 110.819 179.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.421 ' O ' HG11 ' A' ' 49' ' ' VAL . 39.7 ttmt -92.78 109.47 20.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.569 0.7 . . . . 0.0 112.004 -170.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.62 127.56 31.89 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.871 173.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.01 -2.82 57.35 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -174.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.6 mt -79.04 -37.53 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.553 178.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 63' ' ' SER . 17.2 p -140.9 -4.54 1.19 Allowed 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -171.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 70.36 20.23 6.15 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 125.131 1.372 . . . . 0.0 112.806 176.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.401 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . 36.7 t -102.05 135.77 43.03 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.471 176.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -97.34 7.17 47.07 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.434 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -72.14 87.21 1.08 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 122.003 0.906 . . . . 0.0 108.932 172.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.533 HG21 HD13 ' A' ' 38' ' ' ILE . 20.4 p -142.82 166.31 24.98 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.636 -1.165 . . . . 0.0 109.881 -169.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.7 145.18 50.98 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 170.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.491 ' HA ' HG22 ' A' ' 38' ' ' ILE . 65.2 tt0 -70.04 116.68 10.7 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.067 0.46 . . . . 0.0 110.384 -177.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.643 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . . . . . . 0 N--CA 1.448 -0.549 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.974 -176.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.3 ttp . . . . . 0 CA--C 1.524 -0.043 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.0 p -103.32 127.6 50.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.019 0.438 . . . . 0.0 110.991 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.9 m -122.86 140.81 45.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.642 174.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 20.3 t70 -87.21 123.69 32.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 176.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.622 HD12 HG21 ' A' ' 66' ' ' THR . 9.1 pt -115.97 129.28 72.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.438 0.637 . . . . 0.0 111.516 -177.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 tt -111.22 124.04 51.42 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.497 -0.774 . . . . 0.0 108.914 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.8 m -67.49 148.42 51.53 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -176.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -79.12 -25.59 42.96 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.105 -1.407 . . . . 0.0 109.453 169.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.71 -57.07 2.87 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -173.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.0 p -91.64 -10.58 39.84 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 117.942 0.337 . . . . 0.0 111.605 -174.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 55.97 41.5 29.75 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.044 0.938 . . . . 0.0 111.322 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.84 137.97 9.98 Favored Glycine 0 N--CA 1.44 -1.071 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.353 -177.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 16.2 ptt180 -100.55 149.4 23.76 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 124.376 0.692 . . . . 0.0 111.47 -174.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.0 m -147.86 123.76 10.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.939 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 37' ' ' ASP . 4.2 m -81.8 107.2 14.34 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 176.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.516 HG11 ' O ' ' A' ' 57' ' ' LYS . 34.2 m -130.8 171.12 18.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.129 -172.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -83.54 146.95 28.06 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 176.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -69.02 106.8 2.9 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.801 0.688 . . . . 0.0 109.869 178.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 54' ' ' LEU . 15.4 t-80 -108.48 128.37 54.74 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.164 -176.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.9 mm -65.29 -35.16 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.136 -176.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.445 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 5.0 mp -92.83 33.36 1.16 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.998 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.82 128.71 6.45 Favored Glycine 0 C--N 1.337 0.612 0 C-N-CA 121.591 -0.338 . . . . 0.0 113.268 176.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 71.6 mtm -85.98 121.94 29.32 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.263 0.554 . . . . 0.0 110.686 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.516 ' O ' HG11 ' A' ' 49' ' ' VAL . 22.8 ttmm -92.15 108.65 20.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.087 -170.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.49 133.17 53.43 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.63 168.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.438 ' HE3' HG12 ' A' ' 49' ' ' VAL . 35.6 mmtp -83.19 -9.18 59.3 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -170.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.2 mt -90.05 -30.94 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.426 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.9 p -144.2 -4.45 0.81 Allowed 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -176.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 63.98 21.34 12.57 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -178.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.4 t -88.23 144.93 26.16 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 121.198 0.523 . . . . 0.0 110.773 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -101.9 -2.22 30.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.499 -1.228 . . . . 0.0 110.162 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -78.73 86.83 4.65 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.933 0.873 . . . . 0.0 108.756 171.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.622 HG21 HD12 ' A' ' 38' ' ' ILE . 14.1 p -138.35 174.91 10.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.963 -171.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.32 163.3 31.32 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.57 -1.196 . . . . 0.0 108.021 170.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -77.78 144.32 37.23 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.609 -0.436 . . . . 0.0 109.998 175.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 121.72 0.771 . . . . 0.0 112.91 -171.576 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.4 tmt? . . . . . 0 N--CA 1.468 0.427 0 CA-C-O 121.046 0.45 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.524 ' HB ' HG22 ' A' ' 48' ' ' THR . 6.2 p -138.58 128.43 25.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.543 -176.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.41 HG11 HE21 ' A' ' 68' ' ' GLN . 15.4 m -119.24 144.13 28.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.902 176.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -79.46 128.32 33.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.631 0.729 . . . . 0.0 109.363 174.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.623 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 1.6 pp -124.24 131.81 72.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.463 -172.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.459 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -107.49 119.32 39.09 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.923 -166.398 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.448 ' HB2' ' H ' ' A' ' 45' ' ' GLY . 1.1 m -62.1 141.79 57.94 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.713 177.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -86.67 -14.23 43.19 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.288 169.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -95.38 -54.34 3.43 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 4.6 p -101.8 -3.39 28.14 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.186 0.448 . . . . 0.0 112.132 -175.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 55.03 47.26 22.46 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.162 0.985 . . . . 0.0 112.552 -177.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.448 ' H ' ' HB2' ' A' ' 40' ' ' CYS . . . -133.64 134.71 7.61 Favored Glycine 0 CA--C 1.506 -0.512 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.755 -177.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.623 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 36.8 ptt180 -95.87 145.36 25.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.467 0.651 . . . . 0.0 111.678 -179.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.7 m -136.46 135.68 38.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.523 177.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.524 HG22 ' HB ' ' A' ' 35' ' ' THR . 3.0 m -90.2 106.89 18.79 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.851 178.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.8 m -141.13 173.77 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 114.768 -1.105 . . . . 0.0 108.309 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -72.29 155.57 40.05 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 120.746 0.308 . . . . 0.0 110.48 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -75.35 94.29 3.03 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.881 0.848 . . . . 0.0 110.529 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' A' ' 54' ' ' LEU . 36.9 t-80 -92.54 113.25 25.48 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.182 174.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.4 mt -64.1 -26.01 39.46 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 O-C-N 123.796 0.685 . . . . 0.0 112.315 -167.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.475 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 6.0 mp -87.11 16.11 5.43 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.73 118.37 3.14 Favored Glycine 0 C--N 1.334 0.433 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.465 ' HG3' ' H ' ' A' ' 52' ' ' HIS . 4.5 mpp? -79.66 148.7 31.51 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.924 0.392 . . . . 0.0 111.131 -177.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -82.31 111.18 18.14 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 121.631 0.729 . . . . 0.0 111.782 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.9 t -82.0 118.24 22.83 Favored 'General case' 0 C--O 1.209 -1.064 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 164.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.455 ' HA ' ' OE2' ' A' ' 62' ' ' GLU . 50.9 mtpt -82.88 -5.44 59.01 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 122.376 0.27 . . . . 0.0 111.665 -172.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 43.2 mt -80.32 -33.26 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 122.759 0.424 . . . . 0.0 110.8 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.0 p -135.94 -9.8 2.06 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -177.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.455 ' OE2' ' HA ' ' A' ' 59' ' ' LYS . 20.9 mm-40 69.18 29.75 4.55 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.056 1.342 . . . . 0.0 112.742 178.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.2 t -98.98 145.73 26.75 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.467 173.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -104.59 6.26 34.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.584 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -80.97 82.57 6.91 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 122.367 1.08 . . . . 0.0 108.841 173.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.5 p -137.96 150.48 47.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.206 -171.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.34 153.11 23.24 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 171.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.61 ' HA ' HG22 ' A' ' 38' ' ' ILE . 58.2 tt0 -81.81 120.46 25.19 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.286 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.141 -175.658 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 60.6 ttp . . . . . 0 N--CA 1.462 0.142 0 CA-C-O 120.61 0.243 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.422 HG22 HE21 ' A' ' 50' ' ' GLN . 5.8 p -89.66 122.37 32.72 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.253 0.549 . . . . 0.0 111.113 -176.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.4 m -129.4 140.0 50.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.07 -176.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -94.59 121.53 36.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 122.021 0.915 . . . . 0.0 110.176 177.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.598 HD12 HG21 ' A' ' 66' ' ' THR . 1.9 pt -113.03 128.23 69.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.173 -176.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.584 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 3.3 tt -108.56 126.56 53.08 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.059 -169.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.462 ' HA ' HG22 ' A' ' 66' ' ' THR . 1.7 m -66.75 149.04 51.11 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -175.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -88.32 -12.2 44.15 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 113.648 -1.614 . . . . 0.0 109.418 169.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -101.31 -55.82 2.45 Favored 'General case' 0 C--N 1.351 0.637 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.6 p -97.62 -4.46 37.51 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.264 0.484 . . . . 0.0 111.398 -178.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 55.03 31.93 17.16 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 124.912 1.285 . . . . 0.0 113.673 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -125.69 146.41 16.18 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.489 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 25.6 ptt180 -104.6 150.99 24.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.333 0.587 . . . . 0.0 112.029 -172.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 51.1 m -137.15 126.14 24.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.206 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.0 m -87.18 110.62 20.27 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.701 0.762 . . . . 0.0 109.985 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.439 HG21 ' HB3' ' A' ' 56' ' ' MET . 4.3 m -128.82 173.05 14.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.755 -176.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.422 HE21 HG22 ' A' ' 35' ' ' THR . 2.4 mp0 -74.26 154.76 38.83 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 171.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -76.51 119.37 20.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.251 0.548 . . . . 0.0 110.833 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -113.86 126.74 55.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.209 177.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.6 mp -65.52 -34.61 71.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 122.613 0.365 . . . . 0.0 111.094 -173.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 54' ' ' LEU . 3.5 mm? -95.72 27.55 3.44 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.91 134.9 7.75 Favored Glycine 0 C--N 1.338 0.686 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.779 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.439 ' HB3' HG21 ' A' ' 49' ' ' VAL . 5.1 mpp? -95.5 172.77 7.87 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.779 0.324 . . . . 0.0 111.467 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -117.28 131.72 56.76 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.442 0.639 . . . . 0.0 112.547 -176.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.6 t -81.67 122.61 27.85 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 166.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -77.04 -15.35 59.63 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.681 0.392 . . . . 0.0 111.945 -175.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 20.4 mt -79.87 -35.77 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 123.084 0.554 . . . . 0.0 111.385 -174.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.0 p -140.31 4.97 2.04 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 65.82 30.32 10.09 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.394 1.078 . . . . 0.0 112.996 174.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.8 t -104.94 144.09 32.27 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.392 -175.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -96.66 -5.46 38.84 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.851 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -74.16 83.06 1.82 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.867 0.841 . . . . 0.0 109.439 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.598 HG21 HD12 ' A' ' 38' ' ' ILE . 22.3 p -144.93 161.67 38.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.702 -1.135 . . . . 0.0 110.495 -171.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.38 153.04 46.72 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 171.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -70.89 122.22 19.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 117.992 0.36 . . . . 0.0 110.218 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.584 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.28 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.902 -175.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 48.1 ttp . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.2 p -91.81 134.07 35.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.234 177.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.6 m -119.51 152.76 22.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.609 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -107.63 124.08 49.43 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.575 HD12 HG21 ' A' ' 66' ' ' THR . 11.5 pt -117.17 133.34 64.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 123.235 0.334 . . . . 0.0 110.97 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.609 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 1.1 tt -110.67 127.73 55.41 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -177.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.483 ' HB3' ' H ' ' A' ' 42' ' ' ASP . 1.3 m -66.44 145.33 55.79 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -96.28 16.59 17.91 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 114.288 -1.323 . . . . 0.0 110.356 169.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.483 ' H ' ' HB3' ' A' ' 40' ' ' CYS . 1.4 p30 -126.5 -54.56 1.45 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.422 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.6 p -98.1 -1.95 41.21 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -173.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 56.07 31.08 17.44 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.934 1.294 . . . . 0.0 112.299 -176.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.92 137.73 10.63 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.503 -177.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.609 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 13.5 ptp180 -100.48 152.29 20.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.169 0.509 . . . . 0.0 111.26 -176.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.1 m -136.46 118.66 15.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.618 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.8 m -84.32 108.87 17.41 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 171.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.6 m -120.87 172.11 8.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 114.532 -1.213 . . . . 0.0 109.27 -176.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -76.78 143.62 39.72 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 173.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -68.93 116.17 9.09 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.574 0.702 . . . . 0.0 109.853 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -133.24 116.68 16.48 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 114.364 -1.289 . . . . 0.0 108.712 -170.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.5 mm -61.49 -40.62 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 124.009 0.818 . . . . 0.0 110.931 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -90.82 37.4 0.92 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.468 -178.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.17 113.0 2.78 Favored Glycine 0 C--N 1.335 0.524 0 C-N-CA 120.464 -0.874 . . . . 0.0 114.298 168.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.409 ' H ' ' HE1' ' A' ' 64' ' ' TYR . 52.4 mtm -108.2 113.18 26.1 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 170.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -118.59 130.05 55.67 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.092 -169.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -62.89 123.03 17.45 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.342 175.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.433 ' HA ' ' OE1' ' A' ' 62' ' ' GLU . 64.5 mttm -87.2 1.93 51.58 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -172.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.1 mt -81.54 -35.06 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.053 177.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.6 p -138.78 -8.91 1.39 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -174.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.433 ' OE1' ' HA ' ' A' ' 59' ' ' LYS . 10.7 mm-40 69.67 30.75 3.81 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 124.746 1.218 . . . . 0.0 112.324 176.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.2 t -100.83 144.22 30.04 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.253 174.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.409 ' HE1' ' H ' ' A' ' 56' ' ' MET . 60.2 t80 -91.26 -14.84 30.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.74 178.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -71.14 89.25 0.83 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.789 0.804 . . . . 0.0 110.855 -177.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.575 HG21 HD12 ' A' ' 38' ' ' ILE . 21.0 p -141.44 156.61 45.76 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.799 -172.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.3 119.73 31.98 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.205 -1.361 . . . . 0.0 107.652 175.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.45 ' HA ' ' HA ' ' A' ' 38' ' ' ILE . 25.0 tt0 -64.63 103.41 0.68 Allowed 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.741 0.651 . . . . 0.0 111.085 -174.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . . . . . . 0 C--O 1.238 0.457 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.645 -169.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 . . . . . 0 N--CA 1.461 0.102 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 27.2 ttt -88.63 93.97 9.74 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 171.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 p -100.81 125.69 47.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.87 175.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.1 m -115.04 143.84 23.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.27 172.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.41 ' OD2' ' HD2' ' A' ' 46' ' ' ARG . 37.7 t70 -94.19 122.16 36.44 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.6 pt -115.51 146.66 19.64 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 O-C-N 123.387 0.429 . . . . 0.0 110.975 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.487 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -110.38 150.07 29.34 Favored 'General case' 0 C--O 1.211 -0.973 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.525 ' HA ' HG22 ' A' ' 66' ' ' THR . 1.9 t -94.28 147.74 22.9 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 120.901 0.382 . . . . 0.0 111.008 -175.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -89.74 -29.34 18.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.144 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -97.83 -42.52 7.54 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -176.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.3 p -103.48 -3.04 25.9 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 119.789 -0.764 . . . . 0.0 111.751 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 55.9 31.34 17.63 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 174.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -117.02 148.59 18.85 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.487 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 23.6 ptt180 -104.02 143.9 32.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.831 0.824 . . . . 0.0 112.105 -175.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.6 m -129.37 124.27 33.83 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 114.073 -1.421 . . . . 0.0 109.411 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.2 m -87.47 107.35 18.52 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 172.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 m -126.93 175.21 9.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 114.486 -1.234 . . . . 0.0 108.308 -176.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -74.05 157.45 36.06 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.842 171.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -77.63 110.48 12.48 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 173.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -122.33 112.02 17.61 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.706 -1.134 . . . . 0.0 108.374 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.5 mt -68.63 -30.23 46.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.054 -175.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.2 mt -81.91 -0.03 41.95 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.65 118.71 1.83 Allowed Glycine 0 C--N 1.339 0.723 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.472 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 64.4 mtm -98.28 109.04 21.86 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -79.31 123.51 27.53 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.481 0.658 . . . . 0.0 111.604 -174.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 44.8 t -72.27 118.63 15.4 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.303 168.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -78.06 -3.63 43.19 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.962 -175.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.1 mt -91.64 -33.47 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.078 -175.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 22.3 p -143.2 4.26 1.41 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -172.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 68.65 21.52 7.89 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 124.02 0.928 . . . . 0.0 113.152 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.6 t -107.67 145.82 32.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.334 0.588 . . . . 0.0 110.913 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -98.09 2.62 48.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.08 -0.963 . . . . 0.0 111.012 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -79.16 88.06 4.88 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.99 0.9 . . . . 0.0 109.382 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.525 HG22 ' HA ' ' A' ' 40' ' ' CYS . 7.2 p -141.0 151.6 44.26 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.888 -173.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -111.56 -179.71 3.78 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 173.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.571 ' HG2' ' H ' ' A' ' 70' ' ' GLY . 49.3 tt0 -96.15 130.11 43.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 118.777 0.717 . . . . 0.0 110.157 175.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.75 -4.44 57.68 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.816 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.571 ' H ' ' HG2' ' A' ' 68' ' ' GLN . . . -87.32 41.07 3.08 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 116.455 -0.338 . . . . 0.0 112.294 173.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.51 121.3 6.8 Favored Glycine 0 C--N 1.343 0.924 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -77.31 135.57 38.41 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 123.055 0.542 . . . . 0.0 110.738 -171.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -83.51 122.46 28.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.346 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.8 tt -115.65 140.9 35.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.908 173.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.2 t -87.88 113.65 23.74 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.599 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -145.56 136.61 24.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.447 174.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -90.53 113.14 25.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.174 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -129.87 124.21 32.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.825 -177.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 C--O 1.25 1.107 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.744 177.423 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 121.127 0.489 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.9 ttp -117.01 117.52 29.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.381 177.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.6 p -98.19 124.9 43.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.492 0.663 . . . . 0.0 111.911 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.1 m -115.89 158.82 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.845 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -97.68 127.86 43.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.106 174.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.678 HD12 HG21 ' A' ' 66' ' ' THR . 12.2 pt -119.38 131.49 71.86 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.85 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.963 177.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.411 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 1.6 tt -112.2 122.7 48.47 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -177.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.553 ' HA ' HG22 ' A' ' 66' ' ' THR . 1.4 m -66.53 151.86 46.39 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -177.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -95.03 -6.13 42.92 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 113.596 -1.638 . . . . 0.0 110.102 171.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.65 -56.82 2.22 Favored 'General case' 0 C--N 1.344 0.33 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -176.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 p -91.02 -9.99 43.86 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 117.971 0.35 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.1 m120 57.82 34.28 24.2 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 124.749 1.281 . . . . 0.0 111.805 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.36 148.08 16.68 Favored Glycine 0 N--CA 1.441 -1.03 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.573 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.449 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 11.3 ptm180 -98.02 156.97 16.39 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.402 0.62 . . . . 0.0 111.633 -175.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.2 m -142.99 128.29 18.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.348 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -87.5 108.46 19.04 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 171.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.517 HG21 ' HB3' ' A' ' 56' ' ' MET . 17.4 m -129.6 160.32 40.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.181 -171.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.9 136.39 41.45 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 172.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -64.36 110.0 2.11 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.955 0.883 . . . . 0.0 111.378 -176.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -104.57 120.88 42.31 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 114.187 -1.37 . . . . 0.0 108.606 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.5 mp -66.41 -30.21 49.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-O 121.221 0.534 . . . . 0.0 110.577 -175.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -88.09 11.19 16.81 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.525 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.96 121.18 3.33 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 121.437 -0.411 . . . . 0.0 113.208 175.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.517 ' HB3' HG21 ' A' ' 49' ' ' VAL . 4.6 mpp? -75.24 138.22 41.76 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 122.557 0.343 . . . . 0.0 110.465 176.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -108.26 123.63 49.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.361 0.6 . . . . 0.0 111.006 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.82 131.62 43.3 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.977 178.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -75.85 -16.22 60.1 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.6 mt -74.05 -45.97 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 122.76 0.424 . . . . 0.0 111.132 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 15.4 p -135.63 -0.72 2.59 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -168.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 67.47 23.31 9.08 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 124.61 1.164 . . . . 0.0 112.96 175.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.5 t -96.58 148.02 23.27 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.308 0.575 . . . . 0.0 110.448 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -98.14 -8.63 27.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.367 -1.288 . . . . 0.0 111.085 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -75.75 91.87 2.97 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-O 121.691 0.758 . . . . 0.0 110.253 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.678 HG21 HD12 ' A' ' 38' ' ' ILE . 17.7 p -144.48 170.41 16.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.202 -171.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -128.29 144.86 51.17 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 172.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -78.04 115.51 17.83 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 118.495 0.589 . . . . 0.0 110.004 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . -79.13 107.27 11.76 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.675 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.09 -2.11 44.16 Favored Glycine 0 CA--C 1.522 0.479 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.479 -173.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.25 156.31 32.16 Favored Glycine 0 C--N 1.339 0.741 0 N-CA-C 112.211 -0.355 . . . . 0.0 112.211 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -77.63 148.78 34.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.176 0.512 . . . . 0.0 111.493 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -119.64 114.87 22.87 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.583 -177.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.5 pt -86.24 155.24 3.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.626 171.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 42.0 m 59.29 77.59 0.3 Allowed 'General case' 0 N--CA 1.473 0.694 0 O-C-N 124.695 1.247 . . . . 0.0 111.353 -176.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 32.8 tp -118.65 104.1 10.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.941 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -99.93 1.51 42.79 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.7 176.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -88.24 133.45 34.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.113 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 . . . . . 0 C--O 1.241 0.61 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.135 -179.098 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.2 m120 . . . . . 0 C--O 1.235 0.336 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.1 ptm -74.75 127.71 33.82 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.014 0.435 . . . . 0.0 110.154 175.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 p -97.85 124.73 42.37 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.785 0.803 . . . . 0.0 110.817 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.466 ' HB ' HE21 ' A' ' 68' ' ' GLN . 35.5 m -118.15 157.03 19.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.071 -175.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.447 ' OD2' ' HD2' ' A' ' 46' ' ' ARG . 32.6 t70 -107.95 125.77 51.9 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.654 HD12 HG21 ' A' ' 66' ' ' THR . 3.4 pt -123.33 132.04 72.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.055 -178.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.544 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 2.4 tt -109.74 126.3 53.59 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -176.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.412 ' HB3' ' H ' ' A' ' 43' ' ' CYS . 4.5 m -69.12 144.33 53.91 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -85.69 -20.1 29.89 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.244 -1.344 . . . . 0.0 109.671 167.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -91.58 -47.14 7.57 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -173.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.412 ' H ' ' HB3' ' A' ' 40' ' ' CYS . 9.2 p -104.19 -2.87 25.13 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.483 0.583 . . . . 0.0 111.421 -178.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 57.92 31.47 20.62 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.387 1.075 . . . . 0.0 112.666 -177.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.2 142.34 13.78 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 121.131 -0.557 . . . . 0.0 111.995 -178.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.544 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 15.4 ptt180 -104.2 153.52 20.87 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.584 0.706 . . . . 0.0 111.903 -176.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 m -141.99 141.28 32.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.503 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.6 m -95.32 108.61 20.79 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.614 0.721 . . . . 0.0 109.112 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.483 HG11 ' O ' ' A' ' 57' ' ' LYS . 29.2 m -128.39 172.84 14.39 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.639 0 CA-C-N 114.521 -1.218 . . . . 0.0 108.999 -176.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -74.99 152.47 38.74 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 118.226 0.466 . . . . 0.0 110.41 175.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -70.05 110.51 5.14 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.458 0.647 . . . . 0.0 109.572 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -116.86 119.57 35.8 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.658 -1.155 . . . . 0.0 109.551 -172.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mp -69.99 -27.87 34.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.57 -176.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.9 mt -88.54 16.71 6.17 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.248 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.52 122.59 4.4 Favored Glycine 0 C--N 1.334 0.468 0 N-CA-C 111.964 -0.455 . . . . 0.0 111.964 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.402 ' HB3' HD13 ' A' ' 38' ' ' ILE . 65.0 mtm -88.71 127.21 35.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.411 0.624 . . . . 0.0 111.233 -177.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.483 ' O ' HG11 ' A' ' 49' ' ' VAL . 37.9 ttpt -103.74 113.52 27.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.452 -169.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 137.64 56.07 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.594 171.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -80.44 -11.24 59.71 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.997 0.739 . . . . 0.0 112.997 -171.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.7 mt -82.73 -35.41 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.988 -176.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.9 p -136.54 -11.42 1.84 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -173.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 67.39 26.84 8.3 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.68 1.192 . . . . 0.0 113.214 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.9 m -98.66 153.29 18.81 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.473 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -103.06 5.04 37.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.545 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -78.57 81.4 4.9 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.654 HG21 HD12 ' A' ' 38' ' ' ILE . 20.5 p -138.34 157.91 45.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.825 0.822 . . . . 0.0 112.039 -172.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.12 132.7 51.81 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 113.967 -1.469 . . . . 0.0 107.576 171.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.466 HE21 ' HB ' ' A' ' 36' ' ' VAL . 61.0 tt0 -69.16 118.43 12.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.09 0.471 . . . . 0.0 111.095 -175.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -93.14 -53.02 4.29 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.541 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.19 -122.64 9.89 Favored Glycine 0 C--N 1.336 0.565 0 O-C-N 123.826 0.704 . . . . 0.0 112.514 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -128.18 144.59 15.37 Favored Glycine 0 N--CA 1.442 -0.947 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 172.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -73.21 137.13 44.82 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 117.175 0.487 . . . . 0.0 111.454 -175.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -73.69 110.5 8.03 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.148 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.9 tt -96.29 117.09 39.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.291 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.4 t -88.11 97.79 11.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.491 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.4 tp -89.01 121.69 31.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.758 -173.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -138.18 25.12 2.73 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -175.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -67.43 -32.71 73.77 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.788 -0.625 . . . . 0.0 109.827 172.866 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.5 p30 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 122.1 0.952 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -119.02 104.54 10.58 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 174.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.561 HG22 HE21 ' A' ' 50' ' ' GLN . 24.8 p -115.72 126.78 54.52 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.694 -172.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.4 m -118.35 144.58 26.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.189 172.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.469 ' HB3' ' HB3' ' A' ' 69' ' ' ALA . 1.1 t70 -93.06 133.47 36.19 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 175.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.545 HD12 HG21 ' A' ' 66' ' ' THR . 8.3 pt -120.33 132.63 69.44 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 O-C-N 123.301 0.375 . . . . 0.0 110.586 178.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.636 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 1.3 tt -110.14 127.35 54.86 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -177.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.556 ' HA ' HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -67.27 148.43 51.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.971 -1.013 . . . . 0.0 113.006 -175.823 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -93.29 -19.26 21.55 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.846 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -100.9 -54.89 2.7 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -176.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.1 p -95.04 -2.32 50.45 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.14 0.427 . . . . 0.0 112.115 -174.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 51.04 43.58 28.94 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 124.488 1.115 . . . . 0.0 112.954 -175.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -127.03 129.71 6.63 Favored Glycine 0 N--CA 1.436 -1.359 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.444 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.636 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 12.7 ptm180 -96.49 154.68 17.13 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.507 0.67 . . . . 0.0 111.967 -178.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.5 m -139.72 121.66 15.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.611 -177.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 m -80.44 109.01 14.53 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.0 m -129.13 171.59 16.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.065 -171.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.561 HE21 HG22 ' A' ' 35' ' ' THR . 2.2 mp0 -85.78 147.25 26.41 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 172.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -66.63 117.48 8.85 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.36 0.6 . . . . 0.0 110.644 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -108.29 128.15 54.49 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.594 -1.185 . . . . 0.0 108.733 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 mp -63.51 -34.75 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.515 0.726 . . . . 0.0 110.852 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.66 12.17 11.26 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.722 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.616 ' HA3' ' HE1' ' A' ' 64' ' ' TYR . . . 100.66 134.02 8.36 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.441 -0.409 . . . . 0.0 112.333 177.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -78.67 146.45 34.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.025 0.441 . . . . 0.0 110.434 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -111.46 127.68 55.76 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.04 -174.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 18.5 t -65.42 124.1 21.39 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.345 172.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -86.96 13.6 8.83 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -173.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 21.4 mt -114.96 -42.66 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.67 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.0 p -126.26 -2.99 6.9 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 120.362 -0.535 . . . . 0.0 112.136 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 59.11 54.59 4.83 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.476 1.11 . . . . 0.0 112.979 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 99.2 p -116.47 154.94 29.47 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.951 176.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.616 ' HE1' ' HA3' ' A' ' 55' ' ' GLY . 77.9 t80 -89.21 -13.64 37.79 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.961 173.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -73.62 80.8 1.51 Allowed 'General case' 0 C--O 1.24 0.582 0 CA-C-O 122.125 0.964 . . . . 0.0 110.666 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.556 HG22 ' HA ' ' A' ' 40' ' ' CYS . 9.5 p -145.42 151.07 37.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.313 -1.312 . . . . 0.0 109.873 -174.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.46 177.81 4.57 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 107.529 -1.285 . . . . 0.0 107.529 168.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -88.5 133.48 34.13 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 172.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.514 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . -79.04 97.8 6.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.264 0.554 . . . . 0.0 110.996 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.2 -30.45 7.01 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 114.979 -1.009 . . . . 0.0 111.072 174.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -153.72 -100.33 0.19 Allowed Glycine 0 N--CA 1.44 -1.066 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 175.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -121.45 135.46 55.05 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.519 ' HB2' HD13 ' A' ' 39' ' ' LEU . 1.3 tmt_? -89.35 84.49 6.45 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.6 pt -128.42 158.38 40.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.006 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.4 m -113.14 55.87 0.69 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.455 0.645 . . . . 0.0 109.804 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.1 tt -87.76 100.64 13.0 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -98.69 103.55 15.51 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.222 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -108.45 -56.33 2.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.273 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 . . . . . 0 C--O 1.242 0.695 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.123 -177.574 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.7 m120 . . . . . 0 N--CA 1.47 0.546 0 CA-C-O 121.059 0.457 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.8 ttt -150.51 120.93 7.37 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 176.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.1 p -108.06 126.45 52.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.793 0.33 . . . . 0.0 111.328 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.7 m -123.4 147.02 27.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.484 175.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -96.38 129.52 43.71 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 174.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.613 HD13 HG21 ' A' ' 66' ' ' THR . 1.4 pp -129.12 146.81 33.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.734 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -173.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.0 mt -109.21 133.68 52.71 Favored 'General case' 0 CA--C 1.512 -0.505 0 O-C-N 123.762 0.664 . . . . 0.0 109.364 177.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.507 ' HA ' HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -72.07 145.28 48.33 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.619 -176.716 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -97.11 8.9 43.55 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.701 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -127.43 -55.56 1.33 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.229 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 8.8 p -96.74 -5.28 39.01 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 118.475 0.579 . . . . 0.0 110.718 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.419 ' H ' ' HB3' ' A' ' 40' ' ' CYS . 3.3 m-20 57.8 30.52 19.13 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.435 1.494 . . . . 0.0 113.988 175.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.21 151.05 18.53 Favored Glycine 0 C--N 1.336 0.551 0 C-N-CA 121.271 -0.49 . . . . 0.0 111.993 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.498 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 8.6 ptp180 -94.51 154.77 17.24 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.313 0.578 . . . . 0.0 112.082 -176.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.4 m -147.82 126.45 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.605 175.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 m -85.95 108.11 18.05 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 173.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.5 m -142.46 175.11 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.102 -171.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -73.46 138.43 45.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.715 178.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -67.37 121.15 15.13 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.785 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -132.15 121.94 24.53 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 113.836 -1.529 . . . . 0.0 108.086 -173.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.1 mp -67.63 -27.59 38.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 123.031 0.532 . . . . 0.0 110.954 -173.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -89.59 28.66 1.26 Allowed 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.42 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.813 ' HA3' ' HB3' ' A' ' 64' ' ' TYR . . . 98.7 132.64 7.72 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 116.152 -0.477 . . . . 0.0 112.178 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -80.23 135.49 36.27 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.787 0.327 . . . . 0.0 110.291 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.02 110.53 6.57 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 121.731 0.777 . . . . 0.0 111.374 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.5 t -81.02 124.21 28.99 Favored 'General case' 0 C--O 1.212 -0.892 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 169.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -82.86 -0.51 48.51 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -173.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.9 mt -91.06 -33.21 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.2 p -141.97 0.02 1.35 Allowed 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -175.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 65.11 20.95 12.13 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 125.155 1.382 . . . . 0.0 113.301 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.4 t -90.82 147.38 23.23 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.04 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.813 ' HB3' ' HA3' ' A' ' 55' ' ' GLY . 81.6 m-85 -101.11 -3.43 29.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.451 -178.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -77.79 90.62 4.06 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.515 0.674 . . . . 0.0 109.588 178.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.613 HG21 HD13 ' A' ' 38' ' ' ILE . 21.0 p -143.66 143.76 31.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.928 -171.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.31 147.11 41.87 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 173.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.509 ' HA ' HG22 ' A' ' 38' ' ' ILE . 53.8 tt0 -64.81 127.51 31.87 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.249 0.547 . . . . 0.0 111.939 -173.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.19 -179.77 6.22 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.105 -0.952 . . . . 0.0 113.404 -167.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 164.57 -167.95 38.65 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 114.671 -1.149 . . . . 0.0 110.321 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.63 64.98 1.04 Allowed Glycine 0 C--N 1.329 0.163 0 C-N-CA 121.189 -0.529 . . . . 0.0 111.889 177.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -116.99 106.64 13.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.849 0.357 . . . . 0.0 110.683 -175.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -106.52 129.59 54.44 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.491 -1.299 . . . . 0.0 107.491 171.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.0 pt -74.79 112.35 12.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 122.368 1.08 . . . . 0.0 112.103 -175.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.1 m -114.0 101.61 9.41 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.521 -1.218 . . . . 0.0 108.742 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.501 ' H ' HD23 ' A' ' 76' ' ' LEU . 2.1 pt? -90.28 149.49 22.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.661 -175.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -99.61 154.17 18.48 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 173.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -161.78 171.42 17.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.06 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? . . . . . 0 C--O 1.244 0.794 0 CA-C-O 118.311 -0.852 . . . . 0.0 109.965 169.296 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 . . . . . 0 N--CA 1.466 0.342 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 24.6 ttt -131.9 94.72 3.55 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 174.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.0 p -90.78 124.17 34.92 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.988 0.423 . . . . 0.0 110.697 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.6 m -118.73 150.17 21.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.891 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.473 ' OD2' ' HD2' ' A' ' 46' ' ' ARG . 35.7 t70 -102.15 125.66 48.91 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.459 ' HB ' ' HB ' ' A' ' 66' ' ' THR . 4.3 pt -119.09 130.07 74.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.043 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.623 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 1.5 tt -109.43 130.39 55.5 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -174.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.36 139.69 39.79 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.183 -174.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -85.96 -12.58 50.09 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.538 -1.21 . . . . 0.0 112.987 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -117.41 -51.09 2.52 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.4 p -86.29 -1.48 57.54 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 118.407 0.549 . . . . 0.0 112.432 -174.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.2 m120 54.91 82.5 0.09 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.821 1.248 . . . . 0.0 112.683 175.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 166.48 151.26 6.72 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -175.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.623 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 17.4 ptt180 -117.34 157.58 25.88 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -173.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.0 m -133.69 121.59 22.17 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.285 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.0 m -88.26 109.37 19.89 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 172.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.481 HG12 ' HE2' ' A' ' 59' ' ' LYS . 16.1 m -128.81 171.77 16.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.29 -1.323 . . . . 0.0 109.474 -172.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -75.8 138.59 41.27 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 174.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -66.29 121.1 14.49 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 123.859 0.725 . . . . 0.0 110.319 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -119.84 128.53 53.77 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.321 -1.309 . . . . 0.0 108.548 -176.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.7 mm -65.24 -36.4 77.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.122 0.569 . . . . 0.0 110.408 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -83.07 -6.94 59.68 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.582 -177.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.53 132.3 3.46 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.652 -0.785 . . . . 0.0 113.44 176.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -87.47 133.03 33.81 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 175.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -95.21 128.75 42.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.121 0.486 . . . . 0.0 110.682 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.8 t -66.35 127.4 32.11 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.857 172.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.481 ' HE2' HG12 ' A' ' 49' ' ' VAL . 67.8 mttm -89.03 26.96 1.45 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.18 0.514 . . . . 0.0 112.268 -176.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.3 mt -121.07 -43.19 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.5 p -125.32 0.69 7.73 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 59.69 28.24 17.64 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.5 t -116.31 160.63 20.21 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.243 -0.286 . . . . 0.0 110.234 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -97.88 27.92 4.2 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-O 122.883 1.325 . . . . 0.0 110.198 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -87.43 39.26 0.86 Allowed 'General case' 0 CA--C 1.551 0.982 0 O-C-N 121.019 -1.051 . . . . 0.0 111.279 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.459 ' HB ' ' HB ' ' A' ' 38' ' ' ILE . 22.7 p -114.48 144.11 43.86 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.276 -177.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.93 135.89 47.72 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.072 -0.967 . . . . 0.0 108.72 176.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.35 117.53 8.73 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.66 98.3 10.6 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.947 -175.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -133.23 48.33 0.96 Allowed Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.609 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -178.73 -117.48 0.54 Allowed Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.947 -0.461 . . . . 0.0 111.947 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -130.67 160.33 34.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.859 0.361 . . . . 0.0 110.902 178.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -133.5 149.48 51.71 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 172.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 42.3 mm -75.34 127.99 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.897 0.38 . . . . 0.0 110.659 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 t -91.15 100.5 13.32 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.337 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.3 tp -123.1 98.47 5.9 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.773 0.797 . . . . 0.0 110.124 175.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -127.02 -2.52 6.46 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.21 175.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -72.88 -54.83 7.72 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.161 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 . . . . . 0 C--O 1.242 0.683 0 CA-C-O 118.32 -0.848 . . . . 0.0 109.325 175.958 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 . . . . . 0 CA--C 1.518 -0.259 0 CA-C-O 120.788 0.328 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 58.5 ttp -77.95 117.01 18.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.105 175.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.526 ' HB ' HG22 ' A' ' 48' ' ' THR . 12.0 p -91.65 125.84 36.52 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.242 0.544 . . . . 0.0 110.345 176.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.2 m -122.07 146.84 26.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.33 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.41 134.07 33.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.647 176.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.673 HD12 HG21 ' A' ' 66' ' ' THR . 2.6 pt -130.44 125.16 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.283 177.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 tt -109.95 119.57 39.73 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -175.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.417 ' HB3' ' H ' ' A' ' 43' ' ' CYS . 1.3 m -60.26 144.16 51.0 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -175.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -86.32 -10.66 54.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.984 169.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -101.92 -54.69 2.66 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.417 ' H ' ' HB3' ' A' ' 40' ' ' CYS . 6.1 p -99.52 -3.3 33.77 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 118.687 0.676 . . . . 0.0 112.305 -175.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 52.99 31.52 11.15 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.77 1.228 . . . . 0.0 113.697 -176.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -117.82 136.01 12.13 Favored Glycine 0 N--CA 1.442 -0.928 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 18.5 ptt85 -94.59 150.4 20.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.313 0.578 . . . . 0.0 111.081 -179.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.9 m -135.59 127.37 29.23 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.344 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.526 HG22 ' HB ' ' A' ' 35' ' ' THR . 2.1 m -86.37 108.53 18.5 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 171.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.3 m -131.77 171.58 17.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.802 -173.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -72.95 147.01 45.64 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -71.64 108.9 5.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.456 -177.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -110.52 116.66 31.77 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.58 -1.191 . . . . 0.0 108.515 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mp -61.5 -36.23 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 123.345 0.658 . . . . 0.0 111.324 -173.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -90.3 38.09 0.92 Allowed 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 121.008 0.432 . . . . 0.0 111.618 177.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.83 114.33 3.46 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 116.314 -0.403 . . . . 0.0 113.233 173.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.2 mpp? -71.38 133.56 46.05 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 173.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -100.28 122.82 43.68 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.22 0.534 . . . . 0.0 111.682 -176.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.1 t -69.17 127.35 32.79 Favored 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.666 171.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.409 ' HA ' ' OE1' ' A' ' 62' ' ' GLU . 52.6 mtmt -89.91 0.99 56.75 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -172.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.5 mt -84.41 -36.09 11.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-O 120.807 0.337 . . . . 0.0 110.238 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 16.1 p -131.76 -8.11 3.58 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -175.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.409 ' OE1' ' HA ' ' A' ' 59' ' ' LYS . 8.3 mm-40 70.96 34.44 1.9 Allowed 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.66 1.184 . . . . 0.0 112.451 176.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.4 m -112.65 141.85 45.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.063 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -95.2 0.71 54.3 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.991 177.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -72.18 87.0 1.08 Allowed 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.689 0.757 . . . . 0.0 109.914 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.673 HG21 HD12 ' A' ' 38' ' ' ILE . 17.3 p -142.34 164.19 30.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.456 -171.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.26 122.97 40.35 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.24 -1.346 . . . . 0.0 108.099 173.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -65.85 117.09 7.74 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.633 0.583 . . . . 0.0 110.515 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.1 116.21 13.36 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.465 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.75 -49.83 5.91 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.214 -178.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 140.75 146.6 4.81 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 121.409 -0.424 . . . . 0.0 112.101 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -89.19 107.29 18.97 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -110.24 84.8 1.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 37.4 mm -127.48 95.33 2.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 174.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.1 p -92.59 -46.93 7.37 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.063 177.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 25.7 tp -148.61 104.05 3.45 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.725 174.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -102.09 87.2 3.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.212 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -150.81 130.4 13.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.581 -173.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 . . . . . 0 C--O 1.243 0.73 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.619 174.672 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.888 ' HB2' ' HB3' ' A' ' 50' ' ' GLN . 7.7 m120 . . . . . 0 C--O 1.236 0.352 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -65.93 132.99 49.94 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.477 0.486 . . . . 0.0 110.719 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.1 p -90.04 122.84 33.4 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.768 0.794 . . . . 0.0 110.772 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -126.62 157.52 37.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.29 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -103.07 124.05 47.8 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.921 0.867 . . . . 0.0 110.996 178.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.622 HD12 HG21 ' A' ' 66' ' ' THR . 5.3 pt -121.08 133.89 66.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.497 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.658 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 1.5 tt -109.26 121.32 44.92 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -173.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.488 ' HA ' HG22 ' A' ' 66' ' ' THR . 0.0 OUTLIER -65.2 146.19 55.28 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -175.869 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -91.54 -22.41 20.37 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.537 172.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -91.45 -54.39 3.93 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 -175.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 9.3 p -96.48 -1.79 46.58 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 117.628 0.195 . . . . 0.0 110.945 -177.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 54.43 30.89 13.59 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.229 1.412 . . . . 0.0 114.076 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.43 144.33 15.01 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.658 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 15.9 ptt180 -97.25 148.19 23.36 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.512 0.672 . . . . 0.0 111.88 -177.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.9 m -125.93 138.61 53.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.21 176.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.0 m -98.72 108.0 20.58 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 172.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.4 m -133.04 169.2 22.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.336 -172.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.888 ' HB3' ' HB2' ' A' ' 33' ' ' ASN . 26.2 mt-30 -74.93 153.12 38.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.991 174.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -71.57 98.64 1.91 Allowed 'General case' 0 CA--C 1.523 -0.094 0 CA-C-O 121.882 0.848 . . . . 0.0 110.447 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.496 ' H ' ' HG2' ' A' ' 56' ' ' MET . 7.8 t-80 -95.23 117.13 29.72 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 114.359 -1.291 . . . . 0.0 107.78 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.1 mp -67.91 -27.61 38.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.371 -176.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.435 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 55.0 mt -92.4 10.75 28.63 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.48 108.25 1.96 Allowed Glycine 0 C--N 1.335 0.487 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.577 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.496 ' HG2' ' H ' ' A' ' 52' ' ' HIS . 72.9 mtm -70.8 118.4 13.53 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.322 0.582 . . . . 0.0 111.439 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -90.45 112.03 23.52 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.608 -171.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.5 t -64.59 120.31 12.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.414 -1.266 . . . . 0.0 109.641 167.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -86.53 17.15 4.02 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -174.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.8 mt -99.83 -30.83 3.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.995 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.8 p -140.88 -7.91 1.06 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 72.37 20.76 3.94 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 125.28 1.432 . . . . 0.0 112.708 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.3 t -107.6 145.83 32.75 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.952 0.406 . . . . 0.0 110.154 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -96.84 7.17 47.22 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.521 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -77.91 89.58 4.1 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.976 0.893 . . . . 0.0 109.303 177.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.622 HG21 HD12 ' A' ' 38' ' ' ILE . 11.0 p -141.01 168.71 19.13 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.121 -173.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.18 132.46 51.79 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 171.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -70.19 119.06 13.82 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.072 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.97 152.47 24.45 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.138 -173.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.31 -112.18 2.86 Favored Glycine 0 C--N 1.332 0.336 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.601 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.52 -146.77 18.33 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 121.247 -0.501 . . . . 0.0 112.096 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -129.97 99.26 5.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.587 0.708 . . . . 0.0 111.143 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -119.68 95.79 4.92 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 172.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.2 pt -131.74 152.46 37.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.801 176.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.4 m -89.24 75.97 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.38 0.609 . . . . 0.0 109.64 172.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.1 tp -92.53 94.54 9.12 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.928 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -156.28 98.62 1.86 Allowed 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.293 -1.321 . . . . 0.0 107.528 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -123.75 103.69 8.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.8 0.81 . . . . 0.0 110.683 -177.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 . . . . . 0 C--O 1.243 0.719 0 CA-C-O 117.494 -1.241 . . . . 0.0 110.869 -177.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 . . . . . 0 CA--C 1.536 0.417 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 41.8 ttp -72.45 100.45 2.7 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.327 0.584 . . . . 0.0 109.547 173.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.0 p -105.42 126.28 51.94 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.81 -175.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 m -112.82 141.59 27.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.484 -176.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -88.94 121.9 31.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.488 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.686 HD12 HG21 ' A' ' 66' ' ' THR . 20.7 pt -119.47 142.32 35.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.747 -172.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.558 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 0.6 OUTLIER -111.23 127.67 55.68 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.12 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.622 ' HA ' HG22 ' A' ' 66' ' ' THR . 0.5 OUTLIER -70.24 144.39 51.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.184 -0.916 . . . . 0.0 113.322 -172.415 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -91.69 -13.62 31.41 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.054 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -108.45 -53.45 2.63 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -177.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 p -96.41 -1.81 46.77 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 118.963 0.802 . . . . 0.0 112.83 -172.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 50.97 83.21 0.05 Allowed 'General case' 0 C--N 1.35 0.616 0 C-N-CA 124.496 1.119 . . . . 0.0 112.565 -174.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -179.91 142.93 5.36 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.149 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.457 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 15.2 ptt180 -98.83 154.14 18.25 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.392 0.615 . . . . 0.0 112.433 -175.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.9 m -141.44 133.65 27.91 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.244 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 m -97.58 108.25 20.93 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 171.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.8 m -138.97 173.58 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.886 -172.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -71.31 134.7 46.96 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.849 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -64.12 129.51 40.3 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.939 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -129.84 125.7 36.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.535 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mp -66.83 -30.96 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 122.582 0.353 . . . . 0.0 111.115 -175.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -86.94 16.12 5.25 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 176.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 107.31 123.86 5.1 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.161 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.446 ' CB ' HD13 ' A' ' 38' ' ' ILE . 4.5 mpp? -71.92 138.64 48.27 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 122.704 0.402 . . . . 0.0 110.886 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -85.07 106.41 16.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.256 0.551 . . . . 0.0 111.438 -174.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.4 t -64.74 125.02 23.48 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.591 171.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -88.16 8.72 25.66 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.5 mt -91.23 -35.78 7.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.388 176.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.0 p -133.91 -6.57 2.76 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -174.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 71.69 21.76 4.23 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 125.032 1.333 . . . . 0.0 112.608 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.5 t -102.16 146.1 28.44 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.275 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -91.1 -0.2 57.67 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.397 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -77.72 84.49 4.06 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.511 0.672 . . . . 0.0 109.734 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.686 HG21 HD12 ' A' ' 38' ' ' ILE . 17.8 p -144.27 145.47 32.05 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.042 -172.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -117.63 121.19 40.25 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 173.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.601 ' HA ' ' HA ' ' A' ' 38' ' ' ILE . 61.3 tt0 -52.17 118.18 3.32 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 124.583 1.177 . . . . 0.0 112.093 -174.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.558 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . -67.2 111.07 3.74 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -175.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 159.82 130.87 1.18 Allowed Glycine 0 N--CA 1.443 -0.882 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.149 -177.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.64 -32.55 7.18 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.226 -0.512 . . . . 0.0 112.349 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.59 146.71 27.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.144 0.497 . . . . 0.0 110.557 179.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -117.28 111.85 19.96 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.792 175.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.42 HD11 HD12 ' A' ' 76' ' ' LEU . 8.8 tt -85.94 101.42 10.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 CA-C-O 122.427 1.108 . . . . 0.0 109.054 170.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.5 m -91.55 71.21 5.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.825 -1.079 . . . . 0.0 109.676 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.42 HD12 HD11 ' A' ' 74' ' ' ILE . 5.5 tt -78.03 114.27 16.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.104 -0.953 . . . . 0.0 108.769 -177.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -74.45 103.99 5.01 Favored 'General case' 0 C--N 1.332 -0.164 0 O-C-N 123.705 0.628 . . . . 0.0 109.784 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -117.31 141.37 48.39 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.398 -178.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 . . . . . 0 C--O 1.247 0.972 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 175.714 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 63.9 t30 . . . . . 0 N--CA 1.456 -0.163 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 15.1 tpt -101.53 107.53 18.85 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.681 0.277 . . . . 0.0 110.8 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.1 p -124.5 144.06 50.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.005 173.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 m -137.67 158.93 34.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 124.013 0.925 . . . . 0.0 110.105 176.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -98.71 129.98 45.18 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 174.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.642 HD12 HG21 ' A' ' 66' ' ' THR . 4.6 pt -128.63 128.1 67.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 121.362 0.601 . . . . 0.0 111.33 -178.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 tt -111.56 121.98 46.61 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -176.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 1.3 m -61.86 148.23 44.04 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -175.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -85.19 -21.62 29.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.106 -1.406 . . . . 0.0 109.385 170.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -94.64 -56.74 2.68 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -176.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.4 p -95.95 -5.07 42.19 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 117.83 0.286 . . . . 0.0 110.936 -174.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 53.73 31.45 12.89 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 125.454 1.502 . . . . 0.0 113.089 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.64 135.94 12.81 Favored Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.427 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.484 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 0.6 OUTLIER -103.35 146.41 28.51 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.584 0.707 . . . . 0.0 111.953 -177.278 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.4 m -142.55 131.82 23.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.857 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.2 m -89.22 109.07 19.99 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 173.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.1 m -134.88 172.26 16.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.44 -174.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -74.13 149.45 41.01 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.418 ' HA ' ' HG2' ' A' ' 56' ' ' MET . 78.5 t80 -71.55 104.69 3.37 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.756 0.788 . . . . 0.0 109.99 177.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -89.18 124.4 34.32 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 169.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.588 HD12 ' H ' ' A' ' 53' ' ' ILE . 3.3 mp -68.94 -32.93 56.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.846 -172.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.4 mt -91.75 17.41 9.03 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.673 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.55 109.91 1.57 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.713 177.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.418 ' HG2' ' HA ' ' A' ' 51' ' ' PHE . 46.4 mtm -68.58 131.89 46.0 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.455 0.702 . . . . 0.0 111.773 -177.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -85.64 115.07 23.11 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.694 -169.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.5 t -77.44 118.15 19.61 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 168.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -85.7 29.46 0.7 Allowed 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 122.241 1.019 . . . . 0.0 111.347 -173.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 28.4 mt -118.88 -40.46 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 O-C-N 121.698 -0.626 . . . . 0.0 109.47 174.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.1 p -129.37 -6.62 4.76 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -175.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 66.96 27.44 8.85 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 124.634 1.174 . . . . 0.0 112.613 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.2 t -104.69 143.96 32.37 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 172.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -100.62 6.6 44.15 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.772 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -76.33 89.46 3.17 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.668 0.747 . . . . 0.0 109.554 174.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.642 HG21 HD12 ' A' ' 38' ' ' ILE . 22.4 p -140.6 179.46 6.67 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.207 -169.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.66 131.18 25.4 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 171.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -66.57 119.19 11.28 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.342 0.592 . . . . 0.0 111.19 -177.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.71 85.38 7.29 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.34 -177.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.7 126.0 0.86 Allowed Glycine 0 N--CA 1.442 -0.966 0 N-CA-C 110.166 -1.174 . . . . 0.0 110.166 -176.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.67 -61.46 3.82 Favored Glycine 0 N--CA 1.454 -0.16 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 -170.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -107.04 97.3 7.09 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 166.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.0 tpt85 -88.43 97.49 11.09 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.5 pt -120.22 148.88 23.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.155 -177.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.2 p -84.37 -56.13 3.8 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 170.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.617 ' HB2' ' HG2' ' A' ' 79' ' ' GLN . 6.2 mp -128.43 165.83 19.89 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 170.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -70.91 -39.37 72.77 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -175.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.478 HE22 HD22 ' A' ' 76' ' ' LEU . 5.0 pm0 -90.93 2.61 56.09 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.617 ' HG2' ' HB2' ' A' ' 76' ' ' LEU . 14.7 mm100 . . . . . 0 C--O 1.243 0.713 0 CA-C-O 119.062 -0.494 . . . . 0.0 109.864 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 p30 . . . . . 0 CA--C 1.534 0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 110.08 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 15.1 ttt -56.34 112.24 1.19 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.366 1.066 . . . . 0.0 111.2 177.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.6 p -91.05 124.48 35.31 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.532 0.682 . . . . 0.0 111.957 -172.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.9 m -131.36 140.21 48.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.327 176.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -86.2 124.01 32.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.931 0.872 . . . . 0.0 110.003 175.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.533 HD13 HG21 ' A' ' 66' ' ' THR . 1.2 pp -120.33 132.65 69.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.369 -177.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.643 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 2.1 tt -107.1 120.92 43.39 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 -170.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.42 ' HA ' HG22 ' A' ' 66' ' ' THR . 1.6 m -64.51 144.14 57.41 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-N 114.933 -1.03 . . . . 0.0 113.273 -177.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -86.0 -13.0 48.85 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 113.493 -1.685 . . . . 0.0 109.399 170.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -99.52 -54.16 3.01 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.48 0.918 . . . . 0.0 113.48 -177.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.416 ' H ' ' HB3' ' A' ' 40' ' ' CYS . 13.4 p -98.03 -3.37 38.26 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.557 0.617 . . . . 0.0 112.279 -172.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.8 t30 52.42 80.75 0.09 Allowed 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.62 1.168 . . . . 0.0 111.581 -177.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.64 144.73 4.46 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.743 -176.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 28.1 ptt180 -105.29 149.71 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.497 0.665 . . . . 0.0 112.622 -173.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.4 m -134.63 128.86 33.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.99 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.0 m -86.15 109.98 19.26 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.421 HG11 ' O ' ' A' ' 57' ' ' LYS . 11.3 m -138.14 172.2 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.058 -175.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.31 150.39 41.93 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 120.799 0.333 . . . . 0.0 110.694 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -70.53 120.43 16.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.405 -175.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -122.64 129.51 51.94 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.582 -173.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.9 mt -65.33 -32.17 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.305 -177.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -94.61 25.13 4.14 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.097 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.46 126.99 5.54 Favored Glycine 0 C--N 1.339 0.744 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.677 177.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.419 ' CB ' HG12 ' A' ' 38' ' ' ILE . 4.8 mpp? -71.21 129.41 38.84 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.971 0.415 . . . . 0.0 110.819 179.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.421 ' O ' HG11 ' A' ' 49' ' ' VAL . 39.7 ttmt -92.78 109.47 20.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.569 0.7 . . . . 0.0 112.004 -170.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.62 127.56 31.89 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.871 173.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.01 -2.82 57.35 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -174.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.6 mt -79.04 -37.53 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.553 178.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 63' ' ' SER . 17.2 p -140.9 -4.54 1.19 Allowed 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -171.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 70.36 20.23 6.15 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 125.131 1.372 . . . . 0.0 112.806 176.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.401 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . 36.7 t -102.05 135.77 43.03 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.471 176.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -97.34 7.17 47.07 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.434 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -72.14 87.21 1.08 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 122.003 0.906 . . . . 0.0 108.932 172.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.533 HG21 HD13 ' A' ' 38' ' ' ILE . 20.4 p -142.82 166.31 24.98 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.636 -1.165 . . . . 0.0 109.881 -169.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.7 145.18 50.98 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 170.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.491 ' HA ' HG22 ' A' ' 38' ' ' ILE . 65.2 tt0 -70.04 116.68 10.7 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.067 0.46 . . . . 0.0 110.384 -177.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.643 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . -81.7 140.5 34.29 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.974 -176.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -136.69 112.54 0.96 Allowed Glycine 0 N--CA 1.432 -1.568 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.155 176.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.01 67.97 3.61 Favored Glycine 0 C--N 1.334 0.421 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 175.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -85.52 118.54 25.11 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.073 0.463 . . . . 0.0 110.716 -173.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -88.36 103.72 16.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.413 -0.812 . . . . 0.0 108.816 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.0 mt -92.06 124.06 44.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.475 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.7 m -80.79 114.82 19.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.49 97.24 7.5 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -90.85 -43.66 9.89 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.038 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 59.43 47.13 11.5 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 124.903 1.377 . . . . 0.0 110.245 -175.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.432 178.923 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 . . . . . 0 C--O 1.234 0.269 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.3 ttp -151.96 123.94 8.08 Favored 'General case' 0 CA--C 1.524 -0.043 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.0 p -103.32 127.6 50.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.019 0.438 . . . . 0.0 110.991 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.9 m -122.86 140.81 45.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.642 174.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 20.3 t70 -87.21 123.69 32.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 176.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.622 HD12 HG21 ' A' ' 66' ' ' THR . 9.1 pt -115.97 129.28 72.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.438 0.637 . . . . 0.0 111.516 -177.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 tt -111.22 124.04 51.42 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.497 -0.774 . . . . 0.0 108.914 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.8 m -67.49 148.42 51.53 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -176.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -79.12 -25.59 42.96 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.105 -1.407 . . . . 0.0 109.453 169.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.71 -57.07 2.87 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -173.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.0 p -91.64 -10.58 39.84 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 117.942 0.337 . . . . 0.0 111.605 -174.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 55.97 41.5 29.75 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.044 0.938 . . . . 0.0 111.322 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.84 137.97 9.98 Favored Glycine 0 N--CA 1.44 -1.071 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.353 -177.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 16.2 ptt180 -100.55 149.4 23.76 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 124.376 0.692 . . . . 0.0 111.47 -174.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.0 m -147.86 123.76 10.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.939 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 37' ' ' ASP . 4.2 m -81.8 107.2 14.34 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 176.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.516 HG11 ' O ' ' A' ' 57' ' ' LYS . 34.2 m -130.8 171.12 18.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.129 -172.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -83.54 146.95 28.06 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 176.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -69.02 106.8 2.9 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.801 0.688 . . . . 0.0 109.869 178.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 54' ' ' LEU . 15.4 t-80 -108.48 128.37 54.74 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.164 -176.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.9 mm -65.29 -35.16 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.136 -176.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.445 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 5.0 mp -92.83 33.36 1.16 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.998 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.82 128.71 6.45 Favored Glycine 0 C--N 1.337 0.612 0 C-N-CA 121.591 -0.338 . . . . 0.0 113.268 176.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 71.6 mtm -85.98 121.94 29.32 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.263 0.554 . . . . 0.0 110.686 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.516 ' O ' HG11 ' A' ' 49' ' ' VAL . 22.8 ttmm -92.15 108.65 20.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.087 -170.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.49 133.17 53.43 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.63 168.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' HE3' HG12 ' A' ' 49' ' ' VAL . 35.6 mmtp -83.19 -9.18 59.3 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -170.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.2 mt -90.05 -30.94 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.426 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.9 p -144.2 -4.45 0.81 Allowed 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -176.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 63.98 21.34 12.57 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -178.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.4 t -88.23 144.93 26.16 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 121.198 0.523 . . . . 0.0 110.773 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -101.9 -2.22 30.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.499 -1.228 . . . . 0.0 110.162 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -78.73 86.83 4.65 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.933 0.873 . . . . 0.0 108.756 171.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.622 HG21 HD12 ' A' ' 38' ' ' ILE . 14.1 p -138.35 174.91 10.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.963 -171.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.32 163.3 31.32 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.57 -1.196 . . . . 0.0 108.021 170.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -77.78 144.32 37.23 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.609 -0.436 . . . . 0.0 109.998 175.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.94 166.24 23.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.72 0.771 . . . . 0.0 112.91 -171.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 102.99 -57.39 0.58 Allowed Glycine 0 N--CA 1.442 -0.959 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -168.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.19 -100.83 1.07 Allowed Glycine 0 C--N 1.341 0.809 0 O-C-N 124.192 0.584 . . . . 0.0 112.54 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -92.84 123.97 36.5 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 176.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.69 98.79 7.87 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 174.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.3 mt -94.19 146.03 7.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.235 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.3 m -67.16 96.47 0.46 Allowed 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.161 0.505 . . . . 0.0 110.128 172.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.0 tp -156.66 117.58 3.71 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.917 -171.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -91.05 95.12 9.93 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 173.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -147.6 112.48 5.42 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.637 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 . . . . . 0 C--O 1.252 1.214 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.594 178.097 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 . . . . . 0 C--O 1.241 0.618 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -67.42 104.28 1.5 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.046 0.45 . . . . 0.0 109.864 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.524 ' HB ' HG22 ' A' ' 48' ' ' THR . 6.2 p -138.58 128.43 25.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.543 -176.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.41 HG11 HE21 ' A' ' 68' ' ' GLN . 15.4 m -119.24 144.13 28.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.902 176.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -79.46 128.32 33.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.631 0.729 . . . . 0.0 109.363 174.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.623 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 1.6 pp -124.24 131.81 72.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.463 -172.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.459 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -107.49 119.32 39.09 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.923 -166.398 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.448 ' HB2' ' H ' ' A' ' 45' ' ' GLY . 1.1 m -62.1 141.79 57.94 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.713 177.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -86.67 -14.23 43.19 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.288 169.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -95.38 -54.34 3.43 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 4.6 p -101.8 -3.39 28.14 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.186 0.448 . . . . 0.0 112.132 -175.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 55.03 47.26 22.46 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.162 0.985 . . . . 0.0 112.552 -177.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.448 ' H ' ' HB2' ' A' ' 40' ' ' CYS . . . -133.64 134.71 7.61 Favored Glycine 0 CA--C 1.506 -0.512 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.755 -177.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.623 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 36.8 ptt180 -95.87 145.36 25.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.467 0.651 . . . . 0.0 111.678 -179.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.7 m -136.46 135.68 38.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.523 177.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.524 HG22 ' HB ' ' A' ' 35' ' ' THR . 3.0 m -90.2 106.89 18.79 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.851 178.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.8 m -141.13 173.77 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 114.768 -1.105 . . . . 0.0 108.309 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -72.29 155.57 40.05 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 120.746 0.308 . . . . 0.0 110.48 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -75.35 94.29 3.03 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.881 0.848 . . . . 0.0 110.529 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' A' ' 54' ' ' LEU . 36.9 t-80 -92.54 113.25 25.48 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.182 174.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.4 mt -64.1 -26.01 39.46 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 O-C-N 123.796 0.685 . . . . 0.0 112.315 -167.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.475 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 6.0 mp -87.11 16.11 5.43 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.73 118.37 3.14 Favored Glycine 0 C--N 1.334 0.433 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.465 ' HG3' ' H ' ' A' ' 52' ' ' HIS . 4.5 mpp? -79.66 148.7 31.51 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.924 0.392 . . . . 0.0 111.131 -177.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -82.31 111.18 18.14 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 121.631 0.729 . . . . 0.0 111.782 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.9 t -82.0 118.24 22.83 Favored 'General case' 0 C--O 1.209 -1.064 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 164.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.455 ' HA ' ' OE2' ' A' ' 62' ' ' GLU . 50.9 mtpt -82.88 -5.44 59.01 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 122.376 0.27 . . . . 0.0 111.665 -172.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 43.2 mt -80.32 -33.26 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 122.759 0.424 . . . . 0.0 110.8 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.0 p -135.94 -9.8 2.06 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -177.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.455 ' OE2' ' HA ' ' A' ' 59' ' ' LYS . 20.9 mm-40 69.18 29.75 4.55 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.056 1.342 . . . . 0.0 112.742 178.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.2 t -98.98 145.73 26.75 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.467 173.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -104.59 6.26 34.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.584 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -80.97 82.57 6.91 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 122.367 1.08 . . . . 0.0 108.841 173.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.5 p -137.96 150.48 47.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.206 -171.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.34 153.11 23.24 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 171.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.61 ' HA ' HG22 ' A' ' 38' ' ' ILE . 58.2 tt0 -81.81 120.46 25.19 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.8 -71.18 0.56 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.141 -175.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.44 87.94 0.86 Allowed Glycine 0 C--N 1.337 0.617 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.736 -178.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.13 -48.11 78.49 Favored Glycine 0 C--N 1.334 0.418 0 N-CA-C 114.47 0.548 . . . . 0.0 114.47 -175.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -118.0 126.9 53.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.983 0.42 . . . . 0.0 111.259 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -108.37 117.4 34.07 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.727 175.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.0 pt -110.81 95.5 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.776 0.798 . . . . 0.0 111.354 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 m -95.83 121.77 37.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.029 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.6 tt -121.79 110.01 15.39 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.358 0.599 . . . . 0.0 111.286 -171.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -118.53 121.02 39.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.903 170.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -105.52 97.67 7.48 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.246 -168.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.436 HE21 ' HB2' ' A' ' 79' ' ' GLN . 1.1 mp0 . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.186 -0.911 . . . . 0.0 109.685 173.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 . . . . . 0 C--O 1.237 0.437 0 CA-C-O 120.628 0.252 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 60.6 ttp -64.73 121.34 14.3 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.283 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.422 HG22 HE21 ' A' ' 50' ' ' GLN . 5.8 p -89.66 122.37 32.72 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.253 0.549 . . . . 0.0 111.113 -176.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.4 m -129.4 140.0 50.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.07 -176.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -94.59 121.53 36.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 122.021 0.915 . . . . 0.0 110.176 177.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.598 HD12 HG21 ' A' ' 66' ' ' THR . 1.9 pt -113.03 128.23 69.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.173 -176.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.584 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 3.3 tt -108.56 126.56 53.08 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.059 -169.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.462 ' HA ' HG22 ' A' ' 66' ' ' THR . 1.7 m -66.75 149.04 51.11 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -175.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -88.32 -12.2 44.15 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 113.648 -1.614 . . . . 0.0 109.418 169.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -101.31 -55.82 2.45 Favored 'General case' 0 C--N 1.351 0.637 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.6 p -97.62 -4.46 37.51 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.264 0.484 . . . . 0.0 111.398 -178.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 55.03 31.93 17.16 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 124.912 1.285 . . . . 0.0 113.673 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -125.69 146.41 16.18 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.489 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 25.6 ptt180 -104.6 150.99 24.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.333 0.587 . . . . 0.0 112.029 -172.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 51.1 m -137.15 126.14 24.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.206 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.0 m -87.18 110.62 20.27 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.701 0.762 . . . . 0.0 109.985 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.439 HG21 ' HB3' ' A' ' 56' ' ' MET . 4.3 m -128.82 173.05 14.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.755 -176.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.422 HE21 HG22 ' A' ' 35' ' ' THR . 2.4 mp0 -74.26 154.76 38.83 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 171.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -76.51 119.37 20.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.251 0.548 . . . . 0.0 110.833 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -113.86 126.74 55.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.209 177.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.6 mp -65.52 -34.61 71.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 122.613 0.365 . . . . 0.0 111.094 -173.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 54' ' ' LEU . 3.5 mm? -95.72 27.55 3.44 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.91 134.9 7.75 Favored Glycine 0 C--N 1.338 0.686 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.779 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.439 ' HB3' HG21 ' A' ' 49' ' ' VAL . 5.1 mpp? -95.5 172.77 7.87 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.779 0.324 . . . . 0.0 111.467 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -117.28 131.72 56.76 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.442 0.639 . . . . 0.0 112.547 -176.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.6 t -81.67 122.61 27.85 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 166.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -77.04 -15.35 59.63 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.681 0.392 . . . . 0.0 111.945 -175.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 20.4 mt -79.87 -35.77 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 123.084 0.554 . . . . 0.0 111.385 -174.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.0 p -140.31 4.97 2.04 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 65.82 30.32 10.09 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.394 1.078 . . . . 0.0 112.996 174.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.8 t -104.94 144.09 32.27 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.392 -175.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -96.66 -5.46 38.84 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.851 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -74.16 83.06 1.82 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.867 0.841 . . . . 0.0 109.439 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.598 HG21 HD12 ' A' ' 38' ' ' ILE . 22.3 p -144.93 161.67 38.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.702 -1.135 . . . . 0.0 110.495 -171.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.38 153.04 46.72 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 171.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -70.89 122.22 19.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 117.992 0.36 . . . . 0.0 110.218 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.584 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . -77.18 116.79 18.11 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.902 -175.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -175.36 -51.05 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.66 133.33 1.74 Allowed Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.562 177.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -93.65 108.86 20.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 174.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.45 ' HA ' ' HD2' ' A' ' 73' ' ' ARG . 13.5 tpt180 -80.93 100.8 9.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.89 0.852 . . . . 0.0 110.532 -178.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.6 pt -125.9 108.69 19.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 114.257 -1.338 . . . . 0.0 109.134 177.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.2 m -77.77 102.7 7.3 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.234 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.0 tp -105.4 142.96 34.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.633 -177.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -84.89 68.75 10.62 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.728 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -133.27 128.58 36.12 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.612 176.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 C--O 1.249 1.076 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -176.561 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 . . . . . 0 C--O 1.236 0.383 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 48.1 ttp -64.09 118.79 9.03 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 172.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.2 p -91.81 134.07 35.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.234 177.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.6 m -119.51 152.76 22.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.609 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -107.63 124.08 49.43 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.575 HD12 HG21 ' A' ' 66' ' ' THR . 11.5 pt -117.17 133.34 64.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 123.235 0.334 . . . . 0.0 110.97 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.609 ' HG ' ' HB3' ' A' ' 46' ' ' ARG . 1.1 tt -110.67 127.73 55.41 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -177.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.483 ' HB3' ' H ' ' A' ' 42' ' ' ASP . 1.3 m -66.44 145.33 55.79 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -96.28 16.59 17.91 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 114.288 -1.323 . . . . 0.0 110.356 169.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.483 ' H ' ' HB3' ' A' ' 40' ' ' CYS . 1.4 p30 -126.5 -54.56 1.45 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.422 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.6 p -98.1 -1.95 41.21 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -173.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 56.07 31.08 17.44 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.934 1.294 . . . . 0.0 112.299 -176.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.92 137.73 10.63 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.503 -177.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.609 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 13.5 ptp180 -100.48 152.29 20.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.169 0.509 . . . . 0.0 111.26 -176.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.1 m -136.46 118.66 15.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.618 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.8 m -84.32 108.87 17.41 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 171.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.6 m -120.87 172.11 8.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 114.532 -1.213 . . . . 0.0 109.27 -176.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -76.78 143.62 39.72 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 173.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -68.93 116.17 9.09 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.574 0.702 . . . . 0.0 109.853 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -133.24 116.68 16.48 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 114.364 -1.289 . . . . 0.0 108.712 -170.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.5 mm -61.49 -40.62 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 124.009 0.818 . . . . 0.0 110.931 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -90.82 37.4 0.92 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.468 -178.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.17 113.0 2.78 Favored Glycine 0 C--N 1.335 0.524 0 C-N-CA 120.464 -0.874 . . . . 0.0 114.298 168.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.409 ' H ' ' HE1' ' A' ' 64' ' ' TYR . 52.4 mtm -108.2 113.18 26.1 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 170.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -118.59 130.05 55.67 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.092 -169.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -62.89 123.03 17.45 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.342 175.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.433 ' HA ' ' OE1' ' A' ' 62' ' ' GLU . 64.5 mttm -87.2 1.93 51.58 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -172.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.1 mt -81.54 -35.06 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.053 177.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.6 p -138.78 -8.91 1.39 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -174.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.433 ' OE1' ' HA ' ' A' ' 59' ' ' LYS . 10.7 mm-40 69.67 30.75 3.81 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 124.746 1.218 . . . . 0.0 112.324 176.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.2 t -100.83 144.22 30.04 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.253 174.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.409 ' HE1' ' H ' ' A' ' 56' ' ' MET . 60.2 t80 -91.26 -14.84 30.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.74 178.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -71.14 89.25 0.83 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.789 0.804 . . . . 0.0 110.855 -177.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.575 HG21 HD12 ' A' ' 38' ' ' ILE . 21.0 p -141.44 156.61 45.76 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.799 -172.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.3 119.73 31.98 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.205 -1.361 . . . . 0.0 107.652 175.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.45 ' HA ' ' HA ' ' A' ' 38' ' ' ILE . 25.0 tt0 -64.63 103.41 0.68 Allowed 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.741 0.651 . . . . 0.0 111.085 -174.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . -87.38 149.48 24.45 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.645 -169.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 75.43 -99.77 1.23 Allowed Glycine 0 CA--C 1.506 -0.478 0 CA-C-N 115.461 -0.791 . . . . 0.0 112.191 178.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.61 82.18 1.43 Allowed Glycine 0 N--CA 1.443 -0.895 0 O-C-N 124.132 0.548 . . . . 0.0 111.878 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -77.86 124.65 28.26 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.7 0.762 . . . . 0.0 109.776 174.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.46 107.34 18.02 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.795 -174.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.8 mt -91.69 94.41 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-N 114.44 -1.254 . . . . 0.0 108.587 173.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.2 m -101.43 -58.09 1.95 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.977 -1.01 . . . . 0.0 108.371 173.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.5 tp -120.5 100.49 7.17 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.148 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -154.39 18.07 0.48 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.529 1.156 . . . . 0.0 108.685 177.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -113.02 172.79 6.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.161 -171.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 . . . . . 0 C--O 1.244 0.77 0 CA-C-O 118.981 -0.533 . . . . 0.0 110.056 178.691 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_