data_5j8t_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 5j8t _Structure_validation_residue.Date_analyzed 2017-05-05 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.539 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.47 56.97 1.86 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.513 1.525 . . . . 0.0 113.469 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.2 p -60.67 152.66 25.95 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.147 -0.971 . . . . 0.0 112.593 173.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -72.0 129.34 38.3 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.433 -0.792 . . . . 0.0 111.377 172.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -137.35 63.55 1.55 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.694 1.197 . . . . 0.0 111.413 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 59.1 27.31 16.23 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.711 1.604 . . . . 0.0 114.178 176.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 90.1 mt -60.18 137.75 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.137 1.375 . . . . 0.0 110.572 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.5 p-80 -140.81 106.78 5.17 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.743 1.617 . . . . 0.0 109.948 -176.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -96.3 134.24 39.66 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.827 0.851 . . . . 0.0 110.511 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.0 m -63.19 -29.73 71.01 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.137 0.975 . . . . 0.0 113.048 175.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.6 t -164.46 153.6 13.37 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.326 1.851 . . . . 0.0 110.798 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.1 m -54.12 -23.0 12.44 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 167.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -58.94 -41.39 87.26 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.642 1.11 . . . . 0.0 111.912 174.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -72.6 -35.02 67.79 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.915 0.886 . . . . 0.0 112.07 175.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.39 -48.1 81.23 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.432 -0.792 . . . . 0.0 111.582 175.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 12.7 m0 -61.14 -33.9 74.14 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 176.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.06 -19.81 64.74 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 172.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -102.28 3.65 38.36 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.125 1.77 . . . . 0.0 112.943 173.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.06 11.76 83.31 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.805 1.193 . . . . 0.0 114.911 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -79.37 98.09 6.59 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.733 1.266 . . . . 0.0 109.566 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.7 p -138.39 160.11 40.35 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.972 1.709 . . . . 0.0 111.511 177.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.8 t0 47.83 43.19 16.97 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.812 1.245 . . . . 0.0 113.145 -175.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 90.4 mt -61.23 124.77 16.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 124.014 0.926 . . . . 0.0 110.129 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 47.1 m170 -99.22 172.49 7.33 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.795 1.638 . . . . 0.0 111.819 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -50.21 134.95 22.01 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.012 0.925 . . . . 0.0 112.807 173.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.39 -11.27 63.93 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.571 1.081 . . . . 0.0 115.408 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.16 152.73 46.31 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 119.239 1.519 . . . . 0.0 111.743 170.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -65.21 124.23 12.68 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.556 2.837 . . . . 0.0 111.916 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.29 -8.45 44.71 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.248 0.928 . . . . 0.0 114.549 178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -54.61 -28.44 46.53 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.512 1.656 . . . . 0.0 113.499 173.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 t -66.48 159.51 27.03 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.982 1.313 . . . . 0.0 113.838 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.49 -22.13 19.56 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.684 1.193 . . . . 0.0 114.011 172.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -61.06 -17.17 50.95 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.681 1.992 . . . . 0.0 114.456 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.52 -46.12 2.68 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.752 1.621 . . . . 0.0 111.782 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -96.14 98.89 10.69 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.288 1.035 . . . . 0.0 110.619 -176.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -52.77 -33.09 46.96 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.332 1.453 . . . . 0.0 114.817 -175.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -88.72 -4.35 58.55 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.653 1.981 . . . . 0.0 113.838 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.7 t60 30.96 55.78 0.22 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 129.132 2.973 . . . . 0.0 114.955 -176.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -93.85 19.55 8.76 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -177.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.43 18.38 79.2 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.406 1.003 . . . . 0.0 114.637 176.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.9 t -143.33 152.34 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 126.939 2.095 . . . . 0.0 107.238 174.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -135.14 143.28 46.44 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.852 0.751 . . . . 0.0 112.028 175.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.8 m 46.86 45.08 15.0 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.026 1.731 . . . . 0.0 112.587 -175.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.52 138.31 56.83 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.075 1.35 . . . . 0.0 113.677 -177.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -139.3 38.01 2.09 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 123.038 1.399 . . . . 0.0 110.535 -174.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -91.56 66.5 5.37 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.536 1.934 . . . . 0.0 110.817 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.8 m120 . . . . . 0 C--O 1.254 1.3 0 C-N-CA 126.877 2.071 . . . . 0.0 113.085 -176.126 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.81 132.9 52.34 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.041 0.937 . . . . 0.0 112.931 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.3 m -150.12 171.23 17.22 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 126.395 1.878 . . . . 0.0 111.493 -177.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -137.09 56.48 1.79 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.287 1.435 . . . . 0.0 112.558 -173.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.38 14.09 0.1 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 126.915 2.086 . . . . 0.0 115.448 177.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -72.2 35.92 0.07 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 127.985 2.514 . . . . 0.0 115.693 -175.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 87.7 mt -57.31 137.21 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.288 1.435 . . . . 0.0 111.484 177.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -137.61 111.29 8.15 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.687 1.595 . . . . 0.0 110.4 175.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -97.4 139.14 33.79 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.534 1.134 . . . . 0.0 110.768 172.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.7 m -70.6 -27.32 64.0 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 173.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.5 t -163.76 154.09 15.41 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.671 1.588 . . . . 0.0 111.628 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.9 m -55.38 -23.04 22.38 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 165.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -56.59 -39.9 74.33 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.592 1.087 . . . . 0.0 113.005 173.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -78.11 -33.58 50.52 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.923 0.889 . . . . 0.0 112.221 175.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.11 -48.21 76.99 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.63 0.772 . . . . 0.0 112.074 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 9.9 m0 -59.27 -35.21 73.32 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.313 1.045 . . . . 0.0 113.392 176.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.91 -21.71 66.59 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 174.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -98.23 4.35 48.86 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.035 1.734 . . . . 0.0 112.839 172.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.27 4.07 90.33 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.285 1.422 . . . . 0.0 114.936 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -70.5 110.61 5.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.922 1.361 . . . . 0.0 109.65 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.0 p -150.91 160.43 43.91 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.607 1.563 . . . . 0.0 111.3 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 49.59 36.78 11.09 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.152 1.381 . . . . 0.0 113.541 -177.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.6 mt -56.29 126.4 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.115 1.366 . . . . 0.0 109.97 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -103.38 173.4 6.32 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.378 1.471 . . . . 0.0 112.086 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -48.51 134.13 15.76 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.045 0.938 . . . . 0.0 112.854 174.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.34 -20.88 31.51 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 124.808 1.194 . . . . 0.0 115.121 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -78.5 155.34 78.85 Favored Pre-proline 0 CA--C 1.546 0.798 0 CA-C-N 119.697 1.749 . . . . 0.0 112.642 171.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -65.34 124.92 13.62 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.363 2.709 . . . . 0.0 111.758 177.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.95 -6.98 52.2 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.479 1.037 . . . . 0.0 114.713 177.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -57.15 -27.16 61.62 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 119.404 1.602 . . . . 0.0 113.3 172.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.1 m -66.96 156.2 36.52 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.156 1.382 . . . . 0.0 113.738 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.77 -21.61 11.6 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.969 1.308 . . . . 0.0 114.317 172.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -59.69 -23.83 63.43 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.474 1.509 . . . . 0.0 114.047 173.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.19 -45.85 3.25 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.512 1.525 . . . . 0.0 111.309 177.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -94.81 93.5 7.52 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.042 0.937 . . . . 0.0 111.14 -172.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.83 -31.95 7.96 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 125.726 1.611 . . . . 0.0 114.891 -179.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -92.11 -8.47 45.67 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.952 1.701 . . . . 0.0 114.091 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 31.36 48.36 0.08 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 128.899 2.88 . . . . 0.0 115.008 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -83.68 8.04 15.67 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.811 1.244 . . . . 0.0 114.129 -178.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.85 12.65 82.47 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.61 1.1 . . . . 0.0 114.138 -177.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.9 t -139.09 130.17 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 124.419 1.088 . . . . 0.0 109.155 173.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -120.06 144.42 47.59 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.804 0.811 . . . . 0.0 111.534 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.4 m 50.13 37.93 15.76 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 126.318 1.847 . . . . 0.0 113.067 -174.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -55.17 149.28 12.65 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 126.016 1.726 . . . . 0.0 115.082 175.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.7 mp -118.32 -42.14 2.8 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.68 1.192 . . . . 0.0 113.25 172.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 114.55 2.86 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.478 1.111 . . . . 0.0 111.599 175.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.4 p30 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 124.713 1.205 . . . . 0.0 113.322 -179.5 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.71 145.03 42.06 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.881 1.272 . . . . 0.0 111.358 178.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 p -74.92 -47.88 27.44 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.314 1.046 . . . . 0.0 113.221 -177.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 42.79 37.88 1.19 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.763 2.025 . . . . 0.0 113.979 -174.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -111.46 88.49 2.81 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.941 1.296 . . . . 0.0 110.142 -174.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -145.75 146.87 31.39 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.564 0.746 . . . . 0.0 111.846 177.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.9 mt -73.4 133.68 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.512 1.125 . . . . 0.0 110.541 -178.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -134.78 93.09 2.98 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.185 1.394 . . . . 0.0 111.175 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -77.63 134.53 38.17 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.925 0.89 . . . . 0.0 110.716 170.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.7 m -70.44 -34.1 72.09 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 175.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.7 m -155.62 151.58 27.68 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.378 1.871 . . . . 0.0 111.182 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.6 m -56.66 -24.35 48.02 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 170.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -52.94 -40.51 63.7 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.436 1.094 . . . . 0.0 113.226 170.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -74.46 -36.1 63.33 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.544 0.738 . . . . 0.0 111.68 177.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.29 -47.27 71.15 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.246 1.019 . . . . 0.0 112.009 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.2 m0 -58.45 -37.83 76.24 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.703 1.201 . . . . 0.0 112.976 175.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.87 -22.74 67.06 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 174.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -95.6 1.36 53.67 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.676 1.591 . . . . 0.0 113.183 172.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.98 13.38 79.5 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.805 1.193 . . . . 0.0 114.789 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -80.48 98.77 7.71 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.547 1.174 . . . . 0.0 109.17 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.0 p -140.83 159.43 42.22 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.98 1.712 . . . . 0.0 111.305 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 t0 47.8 44.39 17.9 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.623 1.169 . . . . 0.0 112.741 -172.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.2 mt -57.97 127.81 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.557 1.143 . . . . 0.0 108.98 176.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 67.4 m170 -108.64 174.66 5.77 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.473 1.509 . . . . 0.0 111.054 174.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -49.31 133.73 19.25 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.563 0.745 . . . . 0.0 112.937 175.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.65 -22.94 18.49 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.597 1.094 . . . . 0.0 114.729 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -77.11 153.6 82.46 Favored Pre-proline 0 CA--C 1.548 0.877 0 CA-C-N 119.583 1.692 . . . . 0.0 111.598 170.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -66.91 132.37 28.13 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.219 2.612 . . . . 0.0 111.769 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.23 -5.66 65.64 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 124.265 0.936 . . . . 0.0 114.658 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -58.0 -26.0 61.81 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.455 1.627 . . . . 0.0 113.228 172.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.2 t -65.54 156.71 31.76 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.522 1.129 . . . . 0.0 112.858 -178.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.65 -20.53 14.27 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 171.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.8 mttm -60.44 -23.0 64.07 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.781 1.632 . . . . 0.0 114.5 173.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -114.38 -42.59 3.29 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.319 1.448 . . . . 0.0 111.385 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -98.4 93.06 5.98 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.446 1.098 . . . . 0.0 110.479 -173.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -48.22 -32.86 7.69 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 126.075 1.75 . . . . 0.0 114.901 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -90.74 -10.24 43.69 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.881 1.672 . . . . 0.0 114.104 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.4 t60 30.14 48.76 0.06 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 129.078 2.951 . . . . 0.0 114.927 -172.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -79.84 7.85 7.93 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.977 1.311 . . . . 0.0 114.177 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.41 9.48 84.84 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.703 1.144 . . . . 0.0 114.147 -177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.3 t -135.77 126.13 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.452 1.101 . . . . 0.0 109.133 175.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.69 146.88 43.42 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.572 0.701 . . . . 0.0 111.199 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.8 m 46.41 43.55 11.98 Favored 'General case' 0 CA--C 1.554 1.135 0 C-N-CA 125.995 1.718 . . . . 0.0 112.897 -173.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -57.07 138.39 54.5 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.264 1.425 . . . . 0.0 114.327 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.9 mt -123.45 -39.89 2.41 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.922 1.289 . . . . 0.0 113.55 175.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -66.65 -35.76 80.95 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.953 0.901 . . . . 0.0 113.152 -171.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 . . . . . 0 C--O 1.255 1.373 0 C-N-CA 128.798 2.839 . . . . 0.0 113.849 -179.278 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -151.94 175.47 12.46 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.207 1.403 . . . . 0.0 111.549 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.9 m -119.92 92.94 3.9 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.667 1.587 . . . . 0.0 109.917 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -118.94 61.49 0.8 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.622 1.569 . . . . 0.0 111.28 -171.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.26 37.99 20.15 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.575 1.55 . . . . 0.0 112.97 -174.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -50.04 122.14 6.33 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.52 1.528 . . . . 0.0 112.644 177.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.4 mt -71.69 131.78 34.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 124.375 1.07 . . . . 0.0 110.156 177.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -129.15 104.19 7.4 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.873 1.669 . . . . 0.0 109.914 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -90.91 134.78 34.2 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.803 0.841 . . . . 0.0 110.538 171.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.6 m -65.44 -30.2 70.97 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.614 0.765 . . . . 0.0 112.843 174.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.5 p -165.49 159.95 17.34 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.662 1.585 . . . . 0.0 112.2 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.2 m -58.72 -22.22 56.95 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 168.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -61.05 -39.87 91.46 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.593 1.088 . . . . 0.0 111.479 175.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -72.42 -34.97 68.23 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.875 0.87 . . . . 0.0 111.934 175.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.6 -47.65 77.86 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.85 0.86 . . . . 0.0 111.988 177.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -59.67 -34.27 72.64 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.118 -0.989 . . . . 0.0 113.558 176.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.03 -22.4 66.91 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 174.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -97.38 2.3 50.35 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.947 1.699 . . . . 0.0 112.839 173.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.47 13.12 82.19 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.739 1.161 . . . . 0.0 114.638 -177.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -80.76 110.72 16.54 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 118.779 1.29 . . . . 0.0 109.714 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 p -151.63 158.74 43.88 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.471 1.509 . . . . 0.0 112.106 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 48.55 39.38 13.02 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.237 1.415 . . . . 0.0 113.518 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.4 mt -57.57 125.74 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.991 1.316 . . . . 0.0 110.288 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -99.47 175.35 5.88 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.79 1.636 . . . . 0.0 111.937 175.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -51.18 138.9 19.49 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.271 -0.893 . . . . 0.0 113.022 173.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.41 -20.38 14.35 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 124.799 1.19 . . . . 0.0 114.944 -178.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -79.59 154.69 76.27 Favored Pre-proline 0 CA--C 1.547 0.832 0 CA-C-N 119.227 1.514 . . . . 0.0 112.305 172.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.11 124.99 12.89 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.427 2.752 . . . . 0.0 111.813 -178.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.58 -5.63 54.68 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 124.102 0.858 . . . . 0.0 114.714 177.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -56.6 -28.33 60.1 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.212 1.506 . . . . 0.0 113.258 171.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.1 m -66.46 154.6 39.83 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.386 1.474 . . . . 0.0 113.483 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.94 -20.63 16.83 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.836 1.254 . . . . 0.0 114.348 174.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -23.96 19.21 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.601 1.961 . . . . 0.0 114.162 169.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -116.28 -48.03 2.73 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.565 1.546 . . . . 0.0 111.956 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -93.77 95.5 9.18 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.114 0.965 . . . . 0.0 110.204 -175.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 -50.98 -33.56 25.27 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.477 1.511 . . . . 0.0 114.431 -177.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -85.04 -9.04 58.42 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.871 2.068 . . . . 0.0 113.887 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.0 t60 29.65 52.52 0.1 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 129.037 2.935 . . . . 0.0 114.788 -173.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -87.11 9.38 20.04 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.897 1.279 . . . . 0.0 113.654 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.51 13.45 82.56 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.619 1.104 . . . . 0.0 114.413 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.6 t -140.87 123.58 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 118.512 1.156 . . . . 0.0 109.641 176.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -110.69 140.65 44.87 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 121.776 0.798 . . . . 0.0 111.799 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m 50.36 44.58 26.65 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.951 2.1 . . . . 0.0 113.749 -177.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.58 154.57 32.26 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 127.144 2.178 . . . . 0.0 115.263 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.9 mp -116.65 -33.5 4.83 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -59.16 121.87 12.4 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.148 0.885 . . . . 0.0 110.631 172.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 65.2 t30 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.074 1.75 . . . . 0.0 112.812 177.699 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.424 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.71 172.09 8.08 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.107 0.963 . . . . 0.0 112.811 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.9 p -104.77 159.22 15.95 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.448 1.499 . . . . 0.0 111.963 174.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -148.16 159.6 43.78 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.851 1.26 . . . . 0.0 112.071 176.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.57 20.22 2.54 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.487 1.515 . . . . 0.0 112.579 -176.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -123.32 146.76 47.66 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.779 1.632 . . . . 0.0 110.412 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.79 146.58 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.142 0.977 . . . . 0.0 110.847 177.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -143.53 96.8 2.97 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.396 1.479 . . . . 0.0 111.361 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -86.16 135.12 33.71 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.387 -0.821 . . . . 0.0 110.991 174.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.9 t -67.34 -32.79 73.98 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.408 0.683 . . . . 0.0 112.324 173.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.1 t -160.23 155.58 25.13 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.733 1.613 . . . . 0.0 111.363 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.2 m -55.17 -23.26 20.79 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 168.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -54.68 -41.4 70.16 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.668 1.122 . . . . 0.0 112.839 171.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -74.27 -35.61 63.79 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.426 1.09 . . . . 0.0 112.094 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.89 -49.62 67.41 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.885 0.874 . . . . 0.0 111.945 175.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -59.24 -35.85 74.41 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.597 1.159 . . . . 0.0 113.279 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.46 -22.04 65.92 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 173.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -100.35 4.59 44.07 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.021 1.728 . . . . 0.0 112.973 173.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.96 13.17 82.54 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.807 1.194 . . . . 0.0 114.834 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -80.07 98.08 7.1 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.707 1.253 . . . . 0.0 109.382 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.1 p -137.45 159.56 41.6 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.951 1.7 . . . . 0.0 111.553 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.9 t70 47.43 47.02 17.35 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.523 1.129 . . . . 0.0 112.945 -172.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.4 mt -61.96 116.71 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 O-C-N 120.98 -1.075 . . . . 0.0 109.414 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -94.93 174.86 6.88 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.513 1.525 . . . . 0.0 111.971 172.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -48.25 133.8 15.23 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.226 1.01 . . . . 0.0 113.046 173.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.5 -22.41 24.18 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.014 1.292 . . . . 0.0 115.163 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -78.5 153.79 78.86 Favored Pre-proline 0 CA--C 1.548 0.896 0 CA-C-N 119.149 1.474 . . . . 0.0 111.914 171.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -68.12 126.66 14.74 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.483 2.789 . . . . 0.0 111.693 -177.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.46 -4.65 51.18 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.149 0.881 . . . . 0.0 114.694 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -59.06 -25.91 64.16 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.452 1.626 . . . . 0.0 113.102 173.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.0 m -65.74 154.33 39.31 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.313 1.445 . . . . 0.0 113.487 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.76 -21.26 18.08 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.865 1.266 . . . . 0.0 114.186 173.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -27.61 38.62 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.625 1.97 . . . . 0.0 114.055 170.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.14 -42.68 4.11 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.686 1.594 . . . . 0.0 111.525 178.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -102.86 94.42 5.57 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.152 0.981 . . . . 0.0 111.085 -169.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -50.12 -31.53 13.62 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.553 1.541 . . . . 0.0 114.947 -177.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -89.62 -12.4 39.79 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.198 1.399 . . . . 0.0 113.959 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 31.67 45.03 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 129.132 2.973 . . . . 0.0 115.478 -172.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.7 p30 -75.63 6.85 4.29 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 177.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.96 12.4 81.21 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.272 0.939 . . . . 0.0 114.09 -177.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.4 t -136.43 125.46 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 124.47 1.108 . . . . 0.0 108.881 173.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.34 145.53 43.98 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.785 0.802 . . . . 0.0 111.579 178.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.8 m 46.89 43.57 13.57 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.944 1.698 . . . . 0.0 112.458 -172.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -51.99 129.3 26.8 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.147 1.779 . . . . 0.0 113.706 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.0 tp -144.47 29.26 1.28 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.221 1.408 . . . . 0.0 113.532 -171.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.98 29.55 12.47 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 126.475 1.91 . . . . 0.0 114.745 178.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.4 t30 . . . . . 0 C--O 1.25 1.118 0 C-N-CA 125.254 1.422 . . . . 0.0 112.086 -175.324 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.93 177.03 8.18 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.646 1.578 . . . . 0.0 111.518 177.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.2 p 46.21 31.11 1.12 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 126.889 2.076 . . . . 0.0 115.227 -173.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -66.67 156.36 35.47 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.195 1.398 . . . . 0.0 112.219 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -126.57 82.02 2.05 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.063 1.345 . . . . 0.0 110.279 -176.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -62.08 106.7 0.75 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.104 1.362 . . . . 0.0 111.005 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.3 mt -83.29 137.46 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.186 0.994 . . . . 0.0 109.955 176.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -135.0 100.63 4.63 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.43 1.492 . . . . 0.0 110.238 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -87.63 134.66 33.6 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.436 0.694 . . . . 0.0 110.851 173.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.7 m -66.13 -29.13 69.38 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.046 0.938 . . . . 0.0 113.395 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.4 t -164.36 153.32 13.29 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.155 1.782 . . . . 0.0 111.121 174.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.1 m -54.4 -24.13 18.54 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 166.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -55.8 -38.15 69.57 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.62 1.1 . . . . 0.0 113.041 171.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -75.23 -37.2 61.16 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.482 0.713 . . . . 0.0 111.823 175.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.25 -48.08 79.73 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.758 0.823 . . . . 0.0 112.059 176.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -58.06 -38.27 76.02 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.059 0.944 . . . . 0.0 113.361 176.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.79 -23.76 67.49 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 175.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -96.83 1.02 50.18 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.792 1.637 . . . . 0.0 113.341 174.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.55 7.9 87.63 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.622 1.106 . . . . 0.0 114.66 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -78.03 88.64 4.17 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.911 1.285 . . . . 0.0 109.377 177.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 t -131.94 159.52 38.44 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.794 2.038 . . . . 0.0 110.635 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.4 t0 50.9 42.94 28.67 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.434 1.494 . . . . 0.0 112.511 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.18 108.59 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.057 1.343 . . . . 0.0 109.763 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 64.1 m170 -79.15 170.26 16.92 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.778 1.231 . . . . 0.0 112.065 173.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -53.74 135.44 41.32 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.239 1.016 . . . . 0.0 112.126 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.4 -21.97 32.42 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 124.566 1.079 . . . . 0.0 114.843 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -81.18 154.21 72.14 Favored Pre-proline 0 CA--C 1.548 0.878 0 CA-C-N 119.087 1.444 . . . . 0.0 111.859 172.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -66.52 127.45 17.29 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.036 2.491 . . . . 0.0 111.792 -174.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.6 -9.04 52.25 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 118.641 -1.088 . . . . 0.0 114.625 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -53.23 -30.08 35.97 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.837 1.819 . . . . 0.0 113.212 172.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.4 m -65.0 155.61 34.04 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.966 1.707 . . . . 0.0 114.537 -178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.16 -22.09 15.89 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.141 1.377 . . . . 0.0 114.354 173.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -56.65 -23.26 40.19 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.854 2.061 . . . . 0.0 114.145 172.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.96 -47.1 3.06 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.139 1.775 . . . . 0.0 111.377 178.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -96.06 94.31 7.49 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.322 1.049 . . . . 0.0 110.859 -172.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -48.93 -31.74 7.84 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 125.954 1.701 . . . . 0.0 115.083 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -91.55 -9.42 44.33 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.655 1.582 . . . . 0.0 114.174 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 33.43 49.9 0.25 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 128.692 2.797 . . . . 0.0 115.226 -176.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.4 p30 -84.18 10.86 9.21 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.801 1.24 . . . . 0.0 114.157 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.61 13.77 79.4 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.431 1.015 . . . . 0.0 114.398 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 t -141.79 127.29 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.707 1.203 . . . . 0.0 109.011 175.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -113.53 141.75 46.77 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 123.574 0.546 . . . . 0.0 111.697 -178.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 m 47.1 48.17 15.81 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.029 1.732 . . . . 0.0 112.429 -174.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -60.53 152.95 24.64 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 124.659 1.183 . . . . 0.0 113.67 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.2 mt -133.18 -33.52 1.13 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.288 1.035 . . . . 0.0 113.529 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -65.14 -39.86 93.62 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.564 1.146 . . . . 0.0 113.312 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 125.795 1.638 . . . . 0.0 111.394 173.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -138.05 56.92 1.73 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.263 1.425 . . . . 0.0 111.688 -173.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.6 t -53.78 134.49 42.27 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.143 1.377 . . . . 0.0 112.687 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -74.64 98.88 3.51 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.659 1.183 . . . . 0.0 111.89 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.82 -27.58 68.86 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 176.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -131.59 115.35 15.98 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.472 1.909 . . . . 0.0 109.266 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.9 mt -88.07 142.01 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.612 1.165 . . . . 0.0 110.084 177.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -140.49 78.46 1.65 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.987 1.315 . . . . 0.0 112.714 -173.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -70.82 131.24 43.5 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.351 -0.843 . . . . 0.0 111.795 175.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.1 m -67.36 -29.38 68.9 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.034 0.933 . . . . 0.0 113.286 176.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.5 t -164.93 158.31 17.01 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.641 1.976 . . . . 0.0 110.232 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.1 m -55.19 -22.5 17.8 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 165.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.86 -42.59 80.02 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 120.065 1.302 . . . . 0.0 111.899 172.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -71.53 -36.22 70.94 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.941 0.896 . . . . 0.0 111.758 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.68 -48.68 68.55 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.138 0.975 . . . . 0.0 111.759 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -60.36 -35.18 75.1 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.356 1.063 . . . . 0.0 113.479 176.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.96 -21.51 64.86 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 173.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -101.24 2.68 40.16 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.898 1.679 . . . . 0.0 113.112 173.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.37 9.46 81.75 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.065 1.316 . . . . 0.0 115.042 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -75.57 102.62 5.35 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.715 1.257 . . . . 0.0 109.319 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.3 t -142.03 159.81 41.48 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.556 1.942 . . . . 0.0 110.212 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.7 t0 51.12 41.0 27.11 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.33 1.452 . . . . 0.0 112.593 -175.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 78.4 mt -59.89 121.14 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.329 1.052 . . . . 0.0 109.213 178.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -101.53 174.26 6.05 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.305 1.442 . . . . 0.0 111.426 174.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -52.66 130.34 32.06 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.697 0.799 . . . . 0.0 112.313 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.1 -22.89 37.13 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.005 1.288 . . . . 0.0 114.423 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -76.64 154.6 83.55 Favored Pre-proline 0 CA--C 1.547 0.833 0 CA-C-N 118.795 1.298 . . . . 0.0 111.669 169.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -67.81 132.25 26.19 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 123.216 2.611 . . . . 0.0 111.777 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.2 -8.4 62.73 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.083 0.849 . . . . 0.0 114.577 177.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -57.28 -28.36 62.94 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.294 1.547 . . . . 0.0 113.059 172.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.5 m -69.36 155.05 41.07 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.454 1.502 . . . . 0.0 112.93 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.0 -19.54 44.58 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -56.02 -23.68 34.47 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.671 1.588 . . . . 0.0 114.494 169.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -115.81 -41.65 3.19 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.094 1.358 . . . . 0.0 111.863 -178.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -99.8 93.38 5.77 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.896 0.878 . . . . 0.0 110.414 -175.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -52.21 -33.56 41.59 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.191 1.396 . . . . 0.0 114.402 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -84.02 -10.38 57.93 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.486 1.914 . . . . 0.0 113.792 177.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.8 t60 30.71 50.82 0.1 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 129.229 3.011 . . . . 0.0 114.583 -174.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -86.28 7.92 23.42 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.789 1.235 . . . . 0.0 113.591 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.21 11.56 84.91 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 124.763 1.173 . . . . 0.0 114.299 -177.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.3 t -137.58 116.73 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.504 1.152 . . . . 0.0 109.218 174.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.91 145.29 30.61 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.641 0.734 . . . . 0.0 111.729 176.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 m 50.52 45.84 26.13 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 126.375 1.87 . . . . 0.0 113.546 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -63.55 146.5 53.58 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 125.553 1.541 . . . . 0.0 115.151 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.4 mt -124.18 26.85 7.31 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 126.443 1.897 . . . . 0.0 112.666 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.77 94.74 0.1 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.048 1.739 . . . . 0.0 111.854 174.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 127.154 2.181 . . . . 0.0 113.668 -176.111 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.491 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.66 99.02 3.0 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.965 0.906 . . . . 0.0 111.825 -178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m -62.97 159.17 17.54 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.274 1.03 . . . . 0.0 112.747 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -146.91 165.93 28.27 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.012 1.325 . . . . 0.0 111.784 175.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -131.82 85.44 2.25 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.011 1.324 . . . . 0.0 109.956 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -135.19 145.56 47.83 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.123 1.369 . . . . 0.0 111.828 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.8 mt -91.18 141.85 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.053 0.941 . . . . 0.0 109.457 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -144.61 72.75 1.35 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.909 1.284 . . . . 0.0 112.626 -170.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -65.18 139.25 58.65 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.595 -0.691 . . . . 0.0 111.632 172.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.4 p -67.91 -41.37 82.74 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.076 0.951 . . . . 0.0 113.055 177.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 m -158.27 158.74 35.01 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 127.319 2.248 . . . . 0.0 110.495 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.9 m -54.41 -24.27 19.22 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 173.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -54.89 -43.79 73.51 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.066 1.303 . . . . 0.0 113.103 171.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -71.27 -37.05 71.93 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.626 0.77 . . . . 0.0 111.66 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.23 -49.75 72.93 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.735 0.814 . . . . 0.0 111.685 175.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -59.45 -36.75 76.54 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.68 1.192 . . . . 0.0 113.352 175.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.39 -22.74 65.25 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 174.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -100.45 1.73 41.49 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.806 1.642 . . . . 0.0 113.124 174.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.25 15.93 68.11 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.819 1.2 . . . . 0.0 114.953 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -82.76 91.36 7.02 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.648 1.224 . . . . 0.0 109.266 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.8 p -127.98 157.33 40.9 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.828 1.651 . . . . 0.0 112.127 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 51.7 36.8 18.49 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 125.074 1.35 . . . . 0.0 113.66 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 70.6 mt -56.12 128.35 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.223 1.409 . . . . 0.0 110.755 -174.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -104.84 171.5 7.29 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.313 1.445 . . . . 0.0 112.445 175.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -52.74 128.27 25.99 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.779 0.832 . . . . 0.0 112.197 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.22 -22.39 41.13 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.969 1.271 . . . . 0.0 114.181 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -76.17 156.67 83.76 Favored Pre-proline 0 CA--C 1.545 0.765 0 CA-C-N 118.818 1.309 . . . . 0.0 112.01 169.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -67.37 130.86 23.38 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 123.072 2.515 . . . . 0.0 111.893 177.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.33 -9.97 59.5 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.542 1.068 . . . . 0.0 114.694 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -55.06 -29.03 56.63 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.112 1.456 . . . . 0.0 113.516 173.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.4 m -69.67 155.97 39.69 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.727 1.611 . . . . 0.0 113.54 -175.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.07 -24.88 27.48 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.046 1.338 . . . . 0.0 114.233 177.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -54.38 -24.31 19.17 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.267 1.827 . . . . 0.0 114.761 171.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.54 -44.31 2.98 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.113 1.365 . . . . 0.0 111.425 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -95.02 93.27 7.28 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.022 0.929 . . . . 0.0 110.593 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -50.97 -32.82 22.18 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.094 1.357 . . . . 0.0 114.566 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -85.55 -10.15 56.37 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.13 1.772 . . . . 0.0 113.941 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 32.08 50.19 0.16 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 128.986 2.914 . . . . 0.0 114.863 -176.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.4 p-10 -85.74 5.37 32.63 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.135 1.374 . . . . 0.0 113.854 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.02 12.79 82.16 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.469 1.033 . . . . 0.0 114.217 -177.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 t -138.93 126.48 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.591 1.157 . . . . 0.0 108.632 173.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -114.54 143.19 45.38 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.718 0.77 . . . . 0.0 111.427 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.8 m 50.25 44.11 26.33 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.847 1.659 . . . . 0.0 112.526 -177.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -57.66 146.57 30.33 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.584 1.954 . . . . 0.0 114.556 177.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -111.81 -28.67 7.98 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.135 1.374 . . . . 0.0 114.045 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -139.41 -21.23 0.93 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.673 1.589 . . . . 0.0 114.856 -172.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 . . . . . 0 C--O 1.251 1.134 0 C-N-CA 125.202 1.401 . . . . 0.0 112.886 -178.211 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.459 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.0 162.46 13.99 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.47 1.108 . . . . 0.0 113.493 176.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.6 m -65.81 148.68 51.39 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.267 1.027 . . . . 0.0 112.689 175.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -153.64 158.24 40.81 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.643 1.577 . . . . 0.0 110.573 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.05 70.06 1.36 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.87 1.268 . . . . 0.0 110.763 -172.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -62.96 112.83 2.75 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.097 0.959 . . . . 0.0 112.202 177.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.59 137.65 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.299 1.04 . . . . 0.0 110.391 172.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -138.05 102.27 4.64 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.435 1.494 . . . . 0.0 110.46 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -83.55 144.71 29.32 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.973 0.909 . . . . 0.0 111.091 172.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.3 t -69.69 -34.26 73.68 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.269 0.628 . . . . 0.0 112.468 174.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.4 t -162.9 158.63 22.73 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.078 1.751 . . . . 0.0 111.061 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.4 m -55.79 -22.52 24.93 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 166.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -62.39 -31.88 72.61 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.445 -0.784 . . . . 0.0 112.822 174.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -80.04 -34.08 38.55 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.809 1.244 . . . . 0.0 112.304 171.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.84 -47.12 86.49 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.48 -0.762 . . . . 0.0 111.87 174.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -60.37 -34.7 74.26 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 175.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.64 -18.56 64.07 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 173.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -104.86 0.23 27.79 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.918 1.687 . . . . 0.0 113.026 175.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.4 14.58 82.25 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 124.453 1.025 . . . . 0.0 114.634 -175.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -79.81 97.36 6.62 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.816 1.246 . . . . 0.0 108.74 176.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.4 m -139.73 157.71 45.31 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.223 1.409 . . . . 0.0 111.227 -171.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 47.06 39.71 8.36 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.899 1.279 . . . . 0.0 113.424 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.7 mt -57.2 130.87 20.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 125.215 1.406 . . . . 0.0 110.994 -174.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 55.7 m170 -104.29 170.73 7.73 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.406 1.483 . . . . 0.0 112.091 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -52.81 125.93 18.49 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.112 0.965 . . . . 0.0 112.014 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.96 -24.01 34.02 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.027 1.299 . . . . 0.0 114.156 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.56 152.51 78.19 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-N 118.562 1.181 . . . . 0.0 111.564 172.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -68.26 126.32 14.16 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.341 2.694 . . . . 0.0 111.596 -174.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.96 -4.17 52.55 Favored Glycine 0 CA--C 1.534 1.271 0 CA-C-O 118.877 -0.957 . . . . 0.0 114.792 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -55.22 -29.05 57.2 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.498 1.649 . . . . 0.0 113.493 171.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.7 m -64.47 154.75 34.9 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.809 1.644 . . . . 0.0 114.066 -177.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.75 -22.63 14.71 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.116 1.366 . . . . 0.0 114.203 171.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -57.51 -24.97 58.98 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.205 1.802 . . . . 0.0 113.572 172.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.06 -51.77 2.83 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.01 1.724 . . . . 0.0 110.558 177.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -85.83 90.41 8.04 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.171 1.389 . . . . 0.0 110.888 -172.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.4 mmm-85 -52.49 -43.36 64.99 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.569 1.147 . . . . 0.0 112.852 -174.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -69.67 -17.59 63.5 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.102 1.361 . . . . 0.0 114.576 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 35.11 42.09 0.08 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 129.107 2.963 . . . . 0.0 115.967 -171.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.5 p30 -72.31 -4.39 29.46 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 173.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.1 12.77 59.76 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.32 0.962 . . . . 0.0 114.139 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.7 t -137.12 125.34 33.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.852 1.261 . . . . 0.0 108.609 172.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -110.62 141.45 43.82 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.599 0.714 . . . . 0.0 111.735 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.2 m 50.57 41.99 26.23 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.265 1.826 . . . . 0.0 112.352 -177.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -58.89 151.13 22.38 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.19 1.796 . . . . 0.0 114.265 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.9 mt -112.04 16.05 20.39 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.3 1.44 . . . . 0.0 113.758 -177.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -82.68 127.67 33.63 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.28 1.032 . . . . 0.0 110.99 171.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 48.4 t30 . . . . . 0 C--O 1.252 1.23 0 C-N-CA 126.221 1.808 . . . . 0.0 111.543 178.412 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.581 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 51.21 31.29 6.61 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 125.993 1.717 . . . . 0.0 115.046 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.9 m -62.57 159.63 15.49 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.983 1.313 . . . . 0.0 112.856 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -58.15 126.54 27.95 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.48 1.112 . . . . 0.0 112.206 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -69.51 -25.26 63.95 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -67.83 139.38 56.56 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 122.494 1.14 . . . . 0.0 111.928 173.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.8 mt -65.27 138.18 23.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 124.89 1.276 . . . . 0.0 110.191 176.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -141.23 83.34 1.87 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.176 1.391 . . . . 0.0 111.529 -171.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -75.61 133.11 40.98 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.499 -0.751 . . . . 0.0 111.733 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.5 t -68.34 -31.84 71.53 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.853 0.861 . . . . 0.0 112.78 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.5 t -161.39 154.0 20.41 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.198 1.799 . . . . 0.0 110.613 176.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.1 m -54.29 -24.4 18.86 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 165.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -57.67 -38.81 75.75 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.707 1.139 . . . . 0.0 113.052 173.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -74.76 -37.36 62.49 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.594 0.758 . . . . 0.0 111.598 175.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.58 -47.16 79.71 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.012 0.925 . . . . 0.0 111.983 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -59.2 -36.96 76.29 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.58 1.152 . . . . 0.0 113.25 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.58 -22.3 66.82 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 174.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -96.31 0.87 51.4 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.705 1.602 . . . . 0.0 113.084 173.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.34 13.52 73.48 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.775 1.179 . . . . 0.0 114.761 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -80.51 108.25 13.99 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.582 1.191 . . . . 0.0 109.057 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.8 p -147.41 158.81 44.13 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.599 1.56 . . . . 0.0 111.29 -177.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.4 t0 47.25 44.3 15.69 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.288 1.035 . . . . 0.0 112.252 -176.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 77.1 mt -62.08 124.69 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 123.971 0.908 . . . . 0.0 108.793 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -104.53 169.61 8.37 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.852 1.261 . . . . 0.0 111.34 174.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -45.35 129.2 8.22 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.277 1.431 . . . . 0.0 113.241 174.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.72 -25.31 25.54 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.826 1.203 . . . . 0.0 114.419 -177.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -80.89 155.07 73.14 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 118.88 1.34 . . . . 0.0 111.895 172.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -66.43 133.43 32.41 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.209 2.606 . . . . 0.0 111.819 -177.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.09 -6.08 68.85 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 123.979 0.8 . . . . 0.0 114.811 177.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -57.22 -28.3 62.76 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.453 1.626 . . . . 0.0 112.989 171.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.7 m -68.14 156.15 38.11 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.514 1.526 . . . . 0.0 113.556 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.47 -21.32 24.88 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.943 1.297 . . . . 0.0 114.485 176.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -55.81 -23.78 32.22 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.226 1.41 . . . . 0.0 114.733 170.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.11 -50.81 2.86 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.262 1.425 . . . . 0.0 110.812 178.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -89.15 96.58 10.78 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.554 0.742 . . . . 0.0 110.673 -173.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.87 -30.83 25.49 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.44 1.496 . . . . 0.0 114.751 -178.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -92.74 -9.55 40.22 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.797 1.639 . . . . 0.0 114.073 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.3 t60 29.78 52.07 0.1 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 128.798 2.839 . . . . 0.0 115.22 -174.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.9 p30 -83.34 9.43 10.93 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.099 1.359 . . . . 0.0 113.968 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.6 12.41 83.7 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.464 1.031 . . . . 0.0 114.181 -176.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.7 t -136.64 127.66 41.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.45 1.1 . . . . 0.0 109.02 174.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.28 143.32 46.04 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.64 0.733 . . . . 0.0 111.415 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.3 m 50.42 47.5 23.88 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.613 1.965 . . . . 0.0 113.402 -176.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 pm0 -68.68 150.04 48.4 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.862 1.665 . . . . 0.0 114.188 177.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -110.13 11.05 23.86 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 125.641 1.576 . . . . 0.0 112.787 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -67.27 119.02 11.45 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.155 1.382 . . . . 0.0 110.837 -177.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 . . . . . 0 C--O 1.253 1.282 0 C-N-CA 126.808 2.043 . . . . 0.0 111.852 -179.803 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.526 0 N-CA-C 112.168 -0.373 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.47 168.94 20.62 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.18 1.392 . . . . 0.0 111.989 178.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.1 m -131.82 48.09 2.46 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.755 1.622 . . . . 0.0 111.222 -174.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -70.8 40.67 0.06 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 127.132 2.173 . . . . 0.0 113.582 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -68.26 -32.06 71.97 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.446 1.498 . . . . 0.0 111.795 176.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -64.54 137.25 57.75 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.36 1.064 . . . . 0.0 112.093 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.78 138.45 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.677 1.191 . . . . 0.0 110.53 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 -144.57 79.83 1.61 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.498 1.519 . . . . 0.0 111.778 -169.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -72.74 137.49 45.92 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.39 -0.818 . . . . 0.0 112.051 176.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.2 t -69.05 -38.89 79.36 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.69 0.796 . . . . 0.0 112.147 173.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.1 m -154.89 152.76 30.15 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.394 1.878 . . . . 0.0 111.175 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.0 m -55.29 -23.44 23.26 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 170.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -56.36 -39.77 73.44 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.224 1.01 . . . . 0.0 112.751 173.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -74.27 -34.83 63.71 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.457 1.103 . . . . 0.0 112.076 175.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.36 -48.76 71.81 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.717 0.807 . . . . 0.0 111.693 174.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -58.83 -35.88 73.63 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.978 -1.076 . . . . 0.0 113.341 175.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.94 -22.11 66.55 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 174.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -98.96 3.72 47.1 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.95 1.7 . . . . 0.0 113.08 173.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.72 13.83 81.87 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.652 1.12 . . . . 0.0 114.717 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -78.98 89.12 4.75 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.661 1.23 . . . . 0.0 109.569 177.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.3 p -123.82 163.92 20.24 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.194 1.798 . . . . 0.0 110.775 173.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 53.28 37.6 25.66 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.204 1.402 . . . . 0.0 114.151 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 72.3 mt -57.52 125.68 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 124.606 1.163 . . . . 0.0 110.487 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -109.18 175.65 5.38 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.206 1.803 . . . . 0.0 111.385 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -52.18 135.8 31.31 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.36 -0.838 . . . . 0.0 111.537 174.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.06 -23.68 22.6 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 125.607 1.575 . . . . 0.0 114.797 -176.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -82.83 153.42 67.31 Favored Pre-proline 0 CA--C 1.547 0.856 0 CA-C-N 119.259 1.53 . . . . 0.0 112.412 175.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -67.04 124.91 12.81 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.37 2.714 . . . . 0.0 111.812 -177.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.63 -5.28 51.15 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.278 0.942 . . . . 0.0 114.658 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -56.01 -28.65 58.19 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.469 1.635 . . . . 0.0 113.261 171.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 63.6 m -65.93 154.91 38.03 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.498 1.519 . . . . 0.0 113.648 -177.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.31 -22.59 19.48 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.661 1.184 . . . . 0.0 113.916 174.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -56.1 -23.65 35.43 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.096 2.159 . . . . 0.0 114.351 171.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -114.4 -45.42 3.03 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.655 1.582 . . . . 0.0 111.375 176.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -96.9 91.98 5.9 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.967 0.907 . . . . 0.0 110.838 -171.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.66 -28.83 6.38 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -92.18 -9.5 42.14 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.648 1.579 . . . . 0.0 114.146 177.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 31.24 47.19 0.05 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 129.585 3.154 . . . . 0.0 115.154 -174.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 44.9 p30 -80.87 6.75 12.26 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.069 1.347 . . . . 0.0 114.367 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.85 13.37 77.94 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 124.444 1.021 . . . . 0.0 114.196 -177.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.5 t -139.28 129.92 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.592 1.157 . . . . 0.0 108.689 172.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -120.93 146.94 46.11 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.449 0.642 . . . . 0.0 111.085 178.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.9 m 45.25 42.68 7.36 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.631 1.572 . . . . 0.0 112.701 -173.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -53.66 131.7 39.5 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.978 1.711 . . . . 0.0 113.372 177.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.5 tp -137.31 27.64 2.83 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 124.846 1.259 . . . . 0.0 113.325 -172.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -127.49 52.58 1.82 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 126.628 1.971 . . . . 0.0 112.316 -176.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 124.672 1.189 . . . . 0.0 112.739 173.363 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.538 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.11 175.33 8.59 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.367 1.067 . . . . 0.0 112.701 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.9 m -142.73 132.84 24.48 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.954 1.302 . . . . 0.0 111.303 176.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -75.61 169.15 18.67 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.586 1.154 . . . . 0.0 112.205 172.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -112.52 24.05 12.91 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.486 1.514 . . . . 0.0 112.191 -178.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -138.7 132.67 31.18 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.481 1.512 . . . . 0.0 110.28 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.0 mt -98.85 131.03 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.711 1.204 . . . . 0.0 109.588 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -128.52 92.79 3.49 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.556 1.542 . . . . 0.0 110.776 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -82.21 140.43 33.7 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.371 0.668 . . . . 0.0 110.874 170.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.2 t -65.06 -43.05 93.5 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.601 0.76 . . . . 0.0 112.257 175.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.5 m -156.78 154.67 30.31 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.558 1.943 . . . . 0.0 111.248 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.7 m -55.42 -26.0 39.31 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 172.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -52.8 -39.49 62.41 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.218 1.007 . . . . 0.0 113.394 172.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -78.79 -33.83 45.98 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.646 0.778 . . . . 0.0 112.275 176.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.73 -47.28 78.82 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.624 0.77 . . . . 0.0 111.842 175.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -58.01 -37.66 74.7 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.277 1.031 . . . . 0.0 113.265 175.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.91 -24.22 67.65 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -93.03 1.41 57.28 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.689 1.596 . . . . 0.0 113.187 172.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.33 10.6 77.19 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.907 1.241 . . . . 0.0 114.739 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -79.95 102.45 9.22 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.677 1.239 . . . . 0.0 109.252 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.1 p -139.49 163.51 32.34 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.211 1.804 . . . . 0.0 110.707 178.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.01 39.28 18.57 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.282 1.033 . . . . 0.0 113.03 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.2 mt -61.1 119.29 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 O-C-N 121.074 -1.016 . . . . 0.0 109.592 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -98.53 174.17 6.58 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.778 1.631 . . . . 0.0 111.38 174.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -51.01 139.58 17.26 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 175.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.11 -23.27 9.75 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 124.987 1.279 . . . . 0.0 115.127 -176.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -81.4 153.86 71.42 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 119.478 1.639 . . . . 0.0 112.283 174.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -66.73 126.33 15.2 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.311 2.674 . . . . 0.0 111.89 -177.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.26 -7.91 52.2 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.246 0.927 . . . . 0.0 114.575 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -56.18 -27.74 55.57 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.222 1.511 . . . . 0.0 113.385 174.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.7 t -68.84 159.14 33.04 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.544 1.538 . . . . 0.0 113.439 -176.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.32 -21.06 21.86 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.677 1.191 . . . . 0.0 114.096 173.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -59.9 -23.16 63.26 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 174.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.1 -44.91 3.09 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.572 1.549 . . . . 0.0 111.495 -179.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -96.26 94.55 7.54 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.575 1.15 . . . . 0.0 110.039 -173.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -50.04 -31.67 13.58 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.783 1.633 . . . . 0.0 114.815 -177.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -90.5 -11.17 41.04 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.671 1.588 . . . . 0.0 113.954 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 32.92 45.7 0.07 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 128.953 2.901 . . . . 0.0 115.167 -173.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.6 p30 -78.27 9.52 3.76 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 175.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.33 14.23 81.79 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.42 1.01 . . . . 0.0 113.92 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 t -138.62 119.96 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.339 1.055 . . . . 0.0 109.159 175.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -110.45 145.84 36.95 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.744 0.783 . . . . 0.0 111.401 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 m 48.25 49.22 18.02 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.161 1.784 . . . . 0.0 112.946 -177.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.41 138.81 55.62 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 126.013 1.725 . . . . 0.0 114.302 -178.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.0 mt -125.33 25.04 7.22 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 126.228 1.811 . . . . 0.0 113.621 -178.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.94 -3.56 5.8 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -177.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.7 m120 . . . . . 0 C--O 1.253 1.255 0 C-N-CA 125.809 1.643 . . . . 0.0 111.892 -178.413 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.555 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.08 156.36 47.23 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.992 1.317 . . . . 0.0 111.435 175.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.0 t -148.43 121.96 9.15 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.134 1.374 . . . . 0.0 109.754 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -138.03 50.68 1.91 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.149 1.38 . . . . 0.0 110.77 -168.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -72.75 44.44 0.13 Allowed 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 126.336 1.854 . . . . 0.0 113.519 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -73.46 73.53 1.4 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.803 2.041 . . . . 0.0 112.955 -177.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.2 mt -58.3 141.25 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.948 1.299 . . . . 0.0 111.33 174.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -148.17 67.77 1.09 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.115 1.366 . . . . 0.0 113.236 -168.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -61.94 141.4 58.04 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.268 -0.895 . . . . 0.0 112.234 174.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.1 t -72.7 -40.75 65.95 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.473 0.709 . . . . 0.0 112.362 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.1 m -154.96 154.77 33.1 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.375 1.87 . . . . 0.0 111.067 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.0 m -56.56 -23.13 38.19 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 172.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -56.58 -40.19 74.81 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.735 1.152 . . . . 0.0 113.072 172.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -72.46 -37.22 68.57 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.329 0.651 . . . . 0.0 111.463 176.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.36 -47.7 78.32 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.859 0.864 . . . . 0.0 112.092 176.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -58.67 -37.79 76.79 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.351 1.06 . . . . 0.0 113.138 175.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.51 -22.16 66.89 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 174.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -96.14 3.56 53.16 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.884 1.674 . . . . 0.0 112.989 172.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.45 4.44 89.31 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.143 1.354 . . . . 0.0 114.966 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -75.25 105.13 6.11 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.737 1.268 . . . . 0.0 109.553 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -141.57 162.64 34.98 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.214 1.406 . . . . 0.0 110.802 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 51.88 36.93 19.45 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.681 1.192 . . . . 0.0 113.601 177.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 72.6 mt -57.57 128.0 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.421 1.488 . . . . 0.0 110.151 -176.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -107.05 171.92 7.1 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.719 1.608 . . . . 0.0 111.405 174.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -50.47 128.9 21.1 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.399 1.08 . . . . 0.0 112.221 178.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 97.4 -23.6 35.13 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.846 1.213 . . . . 0.0 114.304 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -79.18 152.49 76.51 Favored Pre-proline 0 CA--C 1.546 0.802 0 CA-C-N 118.836 1.318 . . . . 0.0 111.635 171.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -66.05 130.76 25.09 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.169 2.579 . . . . 0.0 111.628 -177.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.33 -7.81 58.48 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 124.295 0.95 . . . . 0.0 114.608 178.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -56.09 -27.75 54.94 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.356 1.578 . . . . 0.0 113.673 174.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.51 163.16 26.56 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -172.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.43 -22.31 31.08 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -56.58 -24.15 45.43 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.791 1.636 . . . . 0.0 114.859 171.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.96 -42.52 2.93 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.173 1.389 . . . . 0.0 111.368 178.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -95.54 89.97 5.57 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.088 0.955 . . . . 0.0 110.392 -171.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -49.02 -31.75 8.12 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.039 1.736 . . . . 0.0 115.177 -177.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -88.34 -13.28 41.11 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.738 1.615 . . . . 0.0 114.035 178.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 32.26 43.01 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 129.457 3.103 . . . . 0.0 115.596 -169.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.7 p30 -73.05 -0.97 15.42 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.156 1.383 . . . . 0.0 114.661 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.87 12.55 66.09 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.171 0.891 . . . . 0.0 113.863 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.6 t -137.06 125.63 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 124.7 1.2 . . . . 0.0 107.825 173.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -115.44 148.14 39.75 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.609 0.718 . . . . 0.0 111.308 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.7 m 48.13 44.13 18.99 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.02 1.728 . . . . 0.0 112.709 -174.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -61.96 153.93 27.93 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 125.629 1.571 . . . . 0.0 114.843 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.6 mt -125.97 28.1 6.19 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.803 1.641 . . . . 0.0 113.028 -177.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.04 28.17 4.8 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 126.396 1.879 . . . . 0.0 113.694 -173.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 59.1 t30 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.921 2.089 . . . . 0.0 113.228 -172.529 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.439 0 N-CA-C 111.329 -0.709 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.87 146.25 49.74 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 117.787 0.794 . . . . 0.0 111.897 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.5 m -70.53 164.74 24.16 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.27 1.028 . . . . 0.0 112.358 173.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -142.61 152.58 42.66 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.972 1.309 . . . . 0.0 112.482 177.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -84.8 92.56 8.27 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.382 1.073 . . . . 0.0 110.337 175.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -128.62 73.64 1.51 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.425 1.49 . . . . 0.0 110.312 -176.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.4 mt -69.81 142.01 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.934 1.294 . . . . 0.0 110.571 174.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -142.69 82.58 1.78 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.942 1.297 . . . . 0.0 113.13 -175.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -71.46 134.77 46.8 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.148 -0.97 . . . . 0.0 111.704 173.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.0 t -69.74 -32.17 70.55 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.303 0.641 . . . . 0.0 112.232 171.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.4 p -159.68 161.94 34.98 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.45 1.5 . . . . 0.0 112.353 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.1 m -62.33 -21.44 65.29 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 169.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -60.0 -41.17 91.54 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.994 1.27 . . . . 0.0 111.938 175.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -69.52 -38.98 77.8 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.711 0.804 . . . . 0.0 111.604 175.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.81 77.4 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.823 0.849 . . . . 0.0 112.082 175.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -59.39 -37.65 78.51 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.334 1.054 . . . . 0.0 113.344 175.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.05 -19.11 64.08 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 174.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -101.12 3.91 41.64 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.746 1.618 . . . . 0.0 112.959 173.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.5 6.22 87.71 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.188 1.375 . . . . 0.0 114.987 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -72.7 118.08 15.19 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.583 1.192 . . . . 0.0 109.098 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.4 p -155.57 162.4 40.67 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.624 1.169 . . . . 0.0 112.105 -177.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 48.97 38.89 13.41 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.508 1.523 . . . . 0.0 112.842 -177.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 77.1 mt -57.53 126.01 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 125.86 1.664 . . . . 0.0 110.036 -176.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 46.3 m170 -104.23 170.21 8.04 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.619 1.568 . . . . 0.0 111.647 174.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -49.91 126.95 15.29 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.486 1.115 . . . . 0.0 112.495 177.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.39 -24.91 30.31 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.061 1.315 . . . . 0.0 114.07 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -76.68 153.12 83.34 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 118.741 1.271 . . . . 0.0 111.629 170.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -67.87 130.35 21.6 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.26 2.64 . . . . 0.0 112.065 -176.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.85 -5.75 58.29 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.473 1.035 . . . . 0.0 114.474 177.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -57.21 -26.57 60.91 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.234 1.517 . . . . 0.0 113.284 172.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 82.2 p -65.29 157.48 28.95 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.808 1.643 . . . . 0.0 113.968 -176.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.78 -16.28 26.72 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 172.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -63.06 -24.2 67.8 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.242 1.417 . . . . 0.0 113.305 172.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -114.51 -45.64 3.0 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.931 1.292 . . . . 0.0 111.684 179.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -94.52 92.12 6.94 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.17 0.988 . . . . 0.0 110.587 -173.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -53.86 -31.89 51.18 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -177.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -83.33 -11.39 57.73 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.198 1.799 . . . . 0.0 113.66 177.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 31.96 50.78 0.17 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 128.932 2.893 . . . . 0.0 114.548 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.2 p-10 -88.19 6.69 35.43 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.239 1.415 . . . . 0.0 113.79 -176.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.13 9.74 85.75 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.557 1.075 . . . . 0.0 114.513 -178.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.3 t -136.07 123.24 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.695 1.198 . . . . 0.0 108.645 172.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -114.67 149.7 36.33 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.37 0.605 . . . . 0.0 112.008 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 m 46.12 42.74 10.18 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.058 1.743 . . . . 0.0 112.51 -174.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -54.17 139.31 35.92 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.771 1.629 . . . . 0.0 113.799 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.1 mt -125.11 -29.48 3.31 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.369 1.067 . . . . 0.0 113.848 174.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -72.55 94.84 1.74 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.407 1.083 . . . . 0.0 110.917 177.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 . . . . . 0 C--O 1.255 1.358 0 C-N-CA 125.507 1.523 . . . . 0.0 113.059 -179.31 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.508 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -146.18 149.43 33.93 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.368 1.467 . . . . 0.0 111.006 174.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.1 m -143.89 105.17 4.25 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.933 1.293 . . . . 0.0 110.42 -172.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -134.12 47.11 2.45 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.661 1.585 . . . . 0.0 111.531 -173.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -77.82 31.91 0.17 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.429 1.492 . . . . 0.0 112.886 176.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -58.46 156.47 10.35 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 122.763 1.268 . . . . 0.0 113.262 176.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 90.3 mt -68.79 133.48 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.635 176.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.8 p-80 -135.41 107.97 7.41 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.034 1.734 . . . . 0.0 109.214 -177.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -103.39 137.22 41.79 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.03 0.932 . . . . 0.0 110.127 176.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.1 t -64.98 -33.99 77.36 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.705 0.802 . . . . 0.0 112.653 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.1 t -164.63 157.76 17.2 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.175 1.79 . . . . 0.0 110.833 176.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.3 m -53.19 -25.05 12.45 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.576 1.325 . . . . 0.0 114.576 167.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -57.76 -39.73 78.1 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.674 1.125 . . . . 0.0 112.717 173.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -72.38 -37.02 68.84 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.849 0.86 . . . . 0.0 111.604 175.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.84 -48.77 77.61 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.874 0.869 . . . . 0.0 111.771 177.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -59.17 -33.54 71.06 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.257 -0.902 . . . . 0.0 113.387 175.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.31 -22.67 67.02 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 174.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -100.07 3.5 44.08 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.237 1.815 . . . . 0.0 112.719 174.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.89 5.44 87.87 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 125.027 1.298 . . . . 0.0 114.843 -178.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -75.37 106.09 6.72 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 118.792 1.296 . . . . 0.0 109.629 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.4 p -144.6 161.37 39.31 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.918 1.687 . . . . 0.0 111.209 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 50.07 38.45 16.81 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.952 1.301 . . . . 0.0 113.635 -177.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 72.9 mt -58.6 125.51 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.994 1.318 . . . . 0.0 109.984 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -104.95 172.48 6.76 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.016 1.727 . . . . 0.0 111.871 175.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -52.71 129.51 29.84 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.928 0.891 . . . . 0.0 112.351 178.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 97.97 -23.15 37.27 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.014 1.292 . . . . 0.0 114.236 -178.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -81.43 153.84 71.34 Favored Pre-proline 0 CA--C 1.544 0.737 0 CA-C-N 118.814 1.307 . . . . 0.0 112.081 173.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.87 128.56 20.08 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.313 2.675 . . . . 0.0 111.778 -177.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.21 -8.11 57.06 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 124.156 0.884 . . . . 0.0 114.542 178.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -56.0 -28.42 57.13 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.345 1.572 . . . . 0.0 113.423 173.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.0 t -70.27 160.37 32.34 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.511 1.124 . . . . 0.0 113.321 -175.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.26 -19.27 20.52 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 173.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? -59.4 -24.42 63.45 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 172.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.31 -45.09 3.17 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.198 1.399 . . . . 0.0 111.623 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -96.19 93.64 7.04 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.021 0.929 . . . . 0.0 110.217 -174.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -51.45 -33.37 30.62 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.29 1.436 . . . . 0.0 114.278 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -82.68 -10.58 58.86 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.578 1.951 . . . . 0.0 113.981 177.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.3 t60 30.09 50.63 0.08 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 128.923 2.889 . . . . 0.0 114.498 -172.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.1 p-10 -84.1 7.64 18.08 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.846 1.258 . . . . 0.0 113.715 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.8 14.21 82.61 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.529 1.061 . . . . 0.0 114.3 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.0 t -140.49 127.95 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.479 1.111 . . . . 0.0 108.756 173.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -113.97 142.32 46.3 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.787 0.803 . . . . 0.0 111.391 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.7 m 48.1 42.83 17.69 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 126.535 1.934 . . . . 0.0 113.29 -177.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -52.93 148.27 7.96 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.886 2.074 . . . . 0.0 115.174 178.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.5 mt -122.75 -33.78 3.33 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 176.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -95.66 67.3 2.8 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.12 1.368 . . . . 0.0 110.698 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.1 m120 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 125.9 1.68 . . . . 0.0 113.457 179.896 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 112.304 -0.318 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.02 -27.66 68.28 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -176.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.3 m -121.33 58.92 0.97 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.223 1.809 . . . . 0.0 110.62 -175.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -107.45 97.32 7.08 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.36 1.464 . . . . 0.0 109.916 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -58.64 102.98 0.13 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.905 1.282 . . . . 0.0 112.035 175.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -61.72 116.23 4.62 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.646 0.778 . . . . 0.0 111.205 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.4 mt -77.61 129.87 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.146 0.978 . . . . 0.0 109.526 177.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -130.62 99.2 4.89 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.282 1.433 . . . . 0.0 110.436 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -84.0 142.1 30.72 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.858 0.863 . . . . 0.0 110.617 170.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.6 m -68.6 -28.49 66.97 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.932 0.893 . . . . 0.0 113.184 175.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 t -166.43 155.43 11.05 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.341 1.856 . . . . 0.0 110.816 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.1 m -54.52 -23.79 17.95 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 166.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -60.08 -36.95 78.51 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.418 1.008 . . . . 0.0 112.758 175.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -75.27 -36.7 61.17 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.314 1.046 . . . . 0.0 111.753 173.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.96 -47.8 79.01 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.968 0.907 . . . . 0.0 111.795 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -59.9 -35.51 75.01 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.379 1.072 . . . . 0.0 113.543 176.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.52 -19.96 65.22 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 173.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -101.64 2.87 39.27 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.004 1.721 . . . . 0.0 112.946 173.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.0 7.59 86.96 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.95 1.262 . . . . 0.0 114.942 -178.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -75.82 100.26 4.7 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 118.744 1.272 . . . . 0.0 109.357 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.2 t -142.89 157.81 44.23 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 126.047 1.739 . . . . 0.0 110.936 -177.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 51.58 39.32 24.65 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.665 1.586 . . . . 0.0 112.511 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.8 mt -56.51 121.65 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 125.738 1.615 . . . . 0.0 109.715 -178.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -95.49 172.08 8.29 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.83 1.252 . . . . 0.0 111.933 175.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -59.63 128.0 34.81 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.349 -0.845 . . . . 0.0 111.404 -178.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.25 -21.41 45.71 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.627 1.108 . . . . 0.0 114.344 -176.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.42 154.37 76.6 Favored Pre-proline 0 CA--C 1.548 0.876 0 CA-C-N 118.929 1.365 . . . . 0.0 112.056 173.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -66.22 123.88 11.8 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.328 2.685 . . . . 0.0 111.888 -176.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.22 -8.06 41.16 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.527 1.061 . . . . 0.0 114.421 179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -56.96 -29.18 62.96 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 119.305 1.553 . . . . 0.0 112.956 173.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.82 155.94 38.2 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.764 1.226 . . . . 0.0 112.978 -177.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.9 -18.46 8.99 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 174.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -57.81 -22.88 49.84 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.975 1.71 . . . . 0.0 114.274 169.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.86 -45.33 2.88 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.564 1.546 . . . . 0.0 111.636 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -100.04 91.11 4.64 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.051 0.94 . . . . 0.0 110.29 -172.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -52.24 -32.69 38.1 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.049 1.34 . . . . 0.0 114.294 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -81.44 -12.61 58.85 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.148 1.779 . . . . 0.0 113.856 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 35.28 45.92 0.23 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 128.6 2.76 . . . . 0.0 114.486 -176.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -81.58 4.93 19.63 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.039 1.336 . . . . 0.0 113.73 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.92 10.62 83.79 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.671 1.129 . . . . 0.0 114.391 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 t -137.79 125.4 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.655 1.182 . . . . 0.0 108.668 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -111.51 141.18 45.42 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.639 0.733 . . . . 0.0 111.268 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.4 m 49.77 42.0 23.07 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 126.36 1.864 . . . . 0.0 113.567 -177.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -52.12 141.13 19.21 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 126.638 1.975 . . . . 0.0 114.71 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.6 mt -117.9 -33.99 4.31 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 175.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -59.72 106.79 0.52 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.646 1.178 . . . . 0.0 111.631 174.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.4 t30 . . . . . 0 C--O 1.253 1.269 0 C-N-CA 125.473 1.509 . . . . 0.0 112.441 177.151 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.529 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -154.92 162.83 40.97 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.942 1.297 . . . . 0.0 111.976 177.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.5 t -68.11 138.25 55.58 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.115 0.966 . . . . 0.0 111.511 171.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -68.62 128.02 35.13 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.355 1.062 . . . . 0.0 112.153 175.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -87.58 -25.87 23.39 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.718 0.807 . . . . 0.0 112.955 177.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -70.87 119.62 15.27 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.003 0.921 . . . . 0.0 112.298 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.9 mt -74.59 135.0 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.72 1.208 . . . . 0.0 110.153 177.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.4 p-80 -138.74 86.47 2.15 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.63 1.572 . . . . 0.0 111.187 -173.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -77.84 131.8 37.71 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.558 -0.714 . . . . 0.0 111.202 175.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -67.53 -32.98 74.13 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.691 0.796 . . . . 0.0 112.476 174.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.1 t -159.2 151.15 20.81 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.931 1.693 . . . . 0.0 110.934 177.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.1 m -53.62 -24.0 12.73 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 166.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -58.03 -38.37 76.09 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 120.134 1.334 . . . . 0.0 112.925 174.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -75.08 -34.63 61.8 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.795 0.838 . . . . 0.0 111.95 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.74 -48.39 69.29 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.813 0.845 . . . . 0.0 111.65 175.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -57.58 -38.02 74.16 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.65 1.18 . . . . 0.0 113.246 176.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.67 -25.04 67.94 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 175.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -93.23 0.53 57.11 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.513 1.525 . . . . 0.0 113.245 173.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.53 12.22 73.04 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.81 1.195 . . . . 0.0 114.75 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -78.47 101.3 7.25 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.659 1.229 . . . . 0.0 109.238 178.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.6 p -136.97 165.46 25.94 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.589 1.555 . . . . 0.0 111.345 176.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 50.84 36.56 14.94 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.124 1.369 . . . . 0.0 113.637 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 80.9 mt -56.71 123.11 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.652 1.181 . . . . 0.0 110.41 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -102.62 174.11 6.04 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.839 1.656 . . . . 0.0 111.65 174.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -52.97 130.12 32.67 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.769 0.827 . . . . 0.0 112.018 177.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.28 -22.19 41.24 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.974 1.273 . . . . 0.0 114.46 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.96 154.26 80.32 Favored Pre-proline 0 CA--C 1.547 0.855 0 CA-C-N 118.742 1.271 . . . . 0.0 111.621 170.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -67.13 128.54 18.75 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 123.381 2.721 . . . . 0.0 111.726 -177.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.27 -7.43 58.39 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-O 119.032 -0.871 . . . . 0.0 114.472 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -55.71 -29.02 58.76 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.447 1.623 . . . . 0.0 113.248 171.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.1 m -65.37 154.0 39.61 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.371 1.468 . . . . 0.0 113.167 -178.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.78 -19.64 18.09 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 174.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -55.98 -25.49 44.15 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.273 1.829 . . . . 0.0 114.109 170.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -114.11 -41.53 3.5 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.485 1.514 . . . . 0.0 112.04 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -104.03 93.79 5.05 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.333 1.053 . . . . 0.0 109.89 -174.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -55.4 -37.41 67.57 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.157 1.383 . . . . 0.0 112.988 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -72.02 -13.65 61.66 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.748 1.219 . . . . 0.0 114.168 173.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 33.34 47.95 0.15 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 128.781 2.832 . . . . 0.0 114.256 -175.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.6 p-10 -84.36 9.71 12.49 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.785 1.234 . . . . 0.0 113.657 -177.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.85 13.77 82.78 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.585 1.088 . . . . 0.0 113.994 -177.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.2 t -138.58 122.21 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.554 1.142 . . . . 0.0 108.606 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -109.34 145.57 35.81 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.824 0.821 . . . . 0.0 110.94 176.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.7 m 49.21 46.01 23.05 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 126.095 1.758 . . . . 0.0 113.374 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -60.18 145.93 45.28 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 125.401 1.48 . . . . 0.0 114.32 176.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.3 mt -128.4 21.77 6.09 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 125.917 1.687 . . . . 0.0 113.347 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 pptp? -126.08 18.12 7.79 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.394 1.478 . . . . 0.0 114.725 -173.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 56.5 t30 . . . . . 0 C--O 1.254 1.313 0 C-N-CA 126.341 1.856 . . . . 0.0 112.896 173.921 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.326 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.1 157.04 42.88 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.83 1.652 . . . . 0.0 110.954 176.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.3 m -64.3 167.73 6.44 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.323 1.049 . . . . 0.0 112.269 174.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -107.45 118.07 35.76 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.194 0.997 . . . . 0.0 109.962 174.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -135.78 23.48 3.36 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.558 1.143 . . . . 0.0 113.059 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -89.03 137.33 32.41 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.348 1.459 . . . . 0.0 111.511 176.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.7 mt -82.11 139.42 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.586 1.154 . . . . 0.0 110.431 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -137.4 91.2 2.58 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.316 1.446 . . . . 0.0 110.727 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -73.65 140.65 46.27 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.547 0.739 . . . . 0.0 111.236 168.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.8 m -79.08 -21.74 46.28 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 175.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m -167.3 152.53 7.33 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.707 2.003 . . . . 0.0 110.633 177.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.5 m -56.19 -24.26 40.58 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.128 1.159 . . . . 0.0 114.128 168.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -52.59 -42.11 64.23 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.039 1.336 . . . . 0.0 113.042 171.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -76.33 -35.72 58.62 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.336 1.055 . . . . 0.0 112.051 177.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.48 -47.83 77.5 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.808 0.843 . . . . 0.0 111.89 174.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -59.49 -36.77 76.68 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.873 1.269 . . . . 0.0 113.098 175.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.73 -20.56 65.04 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 174.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -101.28 3.26 40.61 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.869 1.667 . . . . 0.0 112.947 173.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.56 14.3 78.46 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.874 1.226 . . . . 0.0 114.995 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -78.84 106.86 11.15 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.701 1.251 . . . . 0.0 108.979 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.8 p -147.92 160.13 43.13 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.333 1.453 . . . . 0.0 111.676 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 t0 48.3 42.91 18.68 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.634 1.174 . . . . 0.0 112.521 -171.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 81.8 mt -58.54 119.15 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.739 1.216 . . . . 0.0 109.247 177.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 42.8 m170 -99.2 175.15 5.99 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.105 1.362 . . . . 0.0 110.926 172.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -48.32 137.03 11.6 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.777 0.831 . . . . 0.0 113.012 173.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.6 -24.78 8.05 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 124.846 1.212 . . . . 0.0 115.05 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -74.22 152.54 88.21 Favored Pre-proline 0 CA--C 1.547 0.828 0 CA-C-N 119.36 1.58 . . . . 0.0 111.455 169.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -67.21 132.33 27.48 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.111 2.541 . . . . 0.0 111.567 -178.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 97.81 -6.73 62.64 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 124.134 0.874 . . . . 0.0 114.945 177.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -57.54 -26.73 61.83 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 119.406 1.603 . . . . 0.0 112.843 172.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.3 m -64.9 155.07 35.47 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.948 1.699 . . . . 0.0 113.503 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.16 -19.55 21.07 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.427 1.091 . . . . 0.0 113.811 172.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -58.98 -22.61 60.68 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.792 1.637 . . . . 0.0 113.863 171.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -117.91 -41.3 2.91 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.543 1.537 . . . . 0.0 112.235 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -103.91 92.1 4.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.39 1.076 . . . . 0.0 109.985 -173.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -55.97 -36.59 68.01 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.145 1.778 . . . . 0.0 113.454 -176.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -73.4 -13.22 61.04 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.608 1.563 . . . . 0.0 114.505 172.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.1 t60 30.16 50.98 0.09 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 129.281 3.032 . . . . 0.0 114.895 -174.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -85.97 5.59 32.54 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.326 1.45 . . . . 0.0 113.882 -177.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.62 8.76 85.64 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.657 1.122 . . . . 0.0 114.508 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.0 t -136.01 117.21 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.72 1.208 . . . . 0.0 108.432 174.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -106.1 148.52 27.72 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.429 0.633 . . . . 0.0 111.488 177.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.5 m 46.14 45.25 12.6 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.93 1.692 . . . . 0.0 113.254 -175.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -55.5 144.61 25.44 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.11 1.364 . . . . 0.0 114.15 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.1 mt -128.49 -34.55 2.02 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -79.61 104.3 10.11 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.923 0.889 . . . . 0.0 109.504 177.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 35.2 m120 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 124.952 1.301 . . . . 0.0 112.739 176.567 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.542 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.38 171.47 11.15 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.13 0.972 . . . . 0.0 112.44 175.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 m -66.95 -14.46 62.85 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -142.76 167.37 22.24 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.259 1.823 . . . . 0.0 111.131 173.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -123.82 14.95 9.35 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.588 1.155 . . . . 0.0 112.696 -174.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -66.36 149.93 49.64 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.636 1.174 . . . . 0.0 111.34 173.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.9 mt -110.74 140.45 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.987 1.315 . . . . 0.0 109.951 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -137.83 66.04 1.46 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.105 1.762 . . . . 0.0 111.828 -170.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -58.28 145.6 37.16 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 121.441 -0.787 . . . . 0.0 111.582 167.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.1 t -71.41 -44.43 64.93 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.589 0.355 . . . . 0.0 111.94 175.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.6 m -155.87 159.54 39.41 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.57 1.948 . . . . 0.0 110.92 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.5 m -55.9 -23.35 30.89 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 171.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.23 -38.5 80.15 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.968 0.907 . . . . 0.0 112.299 174.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -73.8 -36.62 65.04 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.633 1.173 . . . . 0.0 112.161 172.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.9 -48.92 78.29 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.45 -0.781 . . . . 0.0 112.032 175.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -60.47 -34.25 73.76 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.241 -0.912 . . . . 0.0 113.191 175.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.22 -19.13 65.14 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 173.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -102.73 4.17 37.75 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.147 1.779 . . . . 0.0 112.803 173.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.63 12.59 84.35 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.785 1.183 . . . . 0.0 114.93 -178.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -79.5 108.16 12.82 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.682 1.241 . . . . 0.0 109.047 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.8 p -148.48 160.84 42.67 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.536 1.535 . . . . 0.0 111.71 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.1 t0 45.78 43.81 10.14 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.636 1.175 . . . . 0.0 112.618 -174.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.75 130.64 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 121.209 -0.932 . . . . 0.0 110.194 -177.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -107.96 171.41 7.41 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.225 1.41 . . . . 0.0 111.538 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -54.0 124.57 15.92 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.174 0.989 . . . . 0.0 111.733 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.52 -24.5 31.39 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.162 1.363 . . . . 0.0 114.004 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.3 152.36 76.07 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-N 118.627 1.213 . . . . 0.0 111.628 172.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.41 127.08 15.12 Favored 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 123.282 2.655 . . . . 0.0 111.869 -174.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.83 -9.13 47.21 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.454 1.026 . . . . 0.0 114.59 178.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -53.29 -29.63 34.32 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.432 1.616 . . . . 0.0 113.83 173.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 t -73.86 162.45 29.09 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.402 1.081 . . . . 0.0 113.606 -171.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.96 -21.39 44.07 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.825 1.25 . . . . 0.0 114.053 176.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -59.17 -21.55 59.59 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.577 1.551 . . . . 0.0 114.603 172.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.7 -50.66 2.51 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.441 1.497 . . . . 0.0 110.899 178.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -86.49 95.64 9.78 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.561 0.744 . . . . 0.0 110.774 -175.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.8 mmm-85 -53.61 -43.78 68.94 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.497 1.119 . . . . 0.0 112.634 -175.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -74.34 -13.43 60.74 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 114.822 1.415 . . . . 0.0 114.822 176.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.0 t60 31.36 50.89 0.13 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 128.925 2.89 . . . . 0.0 115.523 -174.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.1 p30 -81.43 4.39 21.17 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.029 1.332 . . . . 0.0 114.455 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.97 12.29 71.58 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.34 0.971 . . . . 0.0 114.258 -178.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.2 t -137.64 126.09 32.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 124.579 1.152 . . . . 0.0 108.621 172.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -112.15 143.82 42.56 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.586 0.708 . . . . 0.0 111.633 178.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.2 m 46.25 43.46 11.37 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.078 1.751 . . . . 0.0 112.494 -174.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -52.42 140.49 22.14 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.266 1.826 . . . . 0.0 113.328 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.4 tp -142.41 -21.59 0.68 Allowed 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.712 1.005 . . . . 0.0 113.712 -169.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -64.43 125.31 24.22 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.801 0.841 . . . . 0.0 110.404 166.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 126.327 1.851 . . . . 0.0 111.61 179.191 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -144.14 140.75 29.57 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.287 1.435 . . . . 0.0 110.999 175.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.4 m -142.97 118.59 10.42 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.222 1.409 . . . . 0.0 110.662 178.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -161.48 168.5 23.57 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.45 1.9 . . . . 0.0 110.788 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -136.06 59.59 1.7 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.224 1.41 . . . . 0.0 111.573 -176.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.3 p-10 -60.06 164.22 4.19 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.412 1.085 . . . . 0.0 112.941 173.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 86.0 mt -91.99 132.71 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.094 0.958 . . . . 0.0 109.189 175.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -128.35 103.88 7.4 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.975 1.71 . . . . 0.0 109.858 -179.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -95.8 131.17 42.39 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.408 0.683 . . . . 0.0 110.226 174.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.9 t -67.57 -30.83 70.56 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.573 0.749 . . . . 0.0 112.474 176.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.1 p -159.75 156.64 27.98 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.525 1.53 . . . . 0.0 112.203 173.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.1 m -57.15 -25.39 58.83 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 169.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -57.73 -39.89 78.35 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.21 1.004 . . . . 0.0 112.499 176.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -72.58 -37.89 68.06 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.977 0.911 . . . . 0.0 111.982 175.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.64 -47.56 83.2 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.731 0.812 . . . . 0.0 111.919 175.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -58.1 -35.47 71.48 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 176.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.67 -24.67 67.88 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 175.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -95.96 -0.28 50.89 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.402 1.881 . . . . 0.0 112.951 174.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.45 9.64 75.32 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.95 1.262 . . . . 0.0 114.758 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -77.51 92.33 4.01 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.922 1.361 . . . . 0.0 109.625 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 m -128.99 159.73 34.97 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.928 1.691 . . . . 0.0 110.23 178.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 53.21 36.67 23.15 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.401 1.08 . . . . 0.0 113.758 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.9 mt -56.7 127.3 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.894 1.277 . . . . 0.0 110.133 -178.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -106.21 173.27 6.39 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.475 1.51 . . . . 0.0 111.77 175.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -50.69 132.87 26.21 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.766 0.827 . . . . 0.0 112.807 175.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.74 -20.76 36.89 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 124.739 1.161 . . . . 0.0 114.776 -176.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -81.64 154.94 71.22 Favored Pre-proline 0 CA--C 1.546 0.798 0 CA-C-N 119.486 1.643 . . . . 0.0 112.366 174.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -65.9 125.22 13.83 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.388 2.725 . . . . 0.0 111.912 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.42 -7.58 56.31 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 124.154 0.883 . . . . 0.0 114.453 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -56.38 -28.23 58.6 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 119.453 1.626 . . . . 0.0 113.111 172.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.62 153.73 43.23 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.624 1.169 . . . . 0.0 112.4 -178.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.05 -20.23 9.05 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 176.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -56.72 -25.55 54.74 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 127.275 2.23 . . . . 0.0 113.912 172.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.42 -42.66 3.84 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.812 1.645 . . . . 0.0 112.047 177.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -99.87 95.22 6.75 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.435 1.094 . . . . 0.0 110.223 -174.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -46.98 -44.97 20.62 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.179 1.392 . . . . 0.0 113.447 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -78.42 -9.45 59.3 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.849 1.66 . . . . 0.0 113.984 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 36.89 42.74 0.25 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 128.587 2.755 . . . . 0.0 114.605 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -81.45 12.74 3.44 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.906 1.682 . . . . 0.0 114.004 -177.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.74 13.7 83.28 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.657 1.122 . . . . 0.0 113.947 -176.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.7 t -140.09 127.19 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 118.351 1.075 . . . . 0.0 109.244 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -114.78 141.48 47.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.88 0.848 . . . . 0.0 111.062 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.8 m 51.44 45.21 28.34 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 126.034 1.733 . . . . 0.0 113.101 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 pm0 -65.98 147.92 52.61 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 125.831 1.652 . . . . 0.0 115.192 178.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.2 mp -117.77 -33.63 4.46 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 125.531 1.532 . . . . 0.0 113.892 177.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -66.31 -41.0 90.33 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 125.597 1.559 . . . . 0.0 111.775 -175.527 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.539 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.47 56.97 1.86 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.513 1.525 . . . . 0.0 113.469 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.2 p -60.67 152.66 25.95 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.147 -0.971 . . . . 0.0 112.593 173.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -72.0 129.34 38.3 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.433 -0.792 . . . . 0.0 111.377 172.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -137.35 63.55 1.55 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.694 1.197 . . . . 0.0 111.413 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 59.1 27.31 16.23 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.711 1.604 . . . . 0.0 114.178 176.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 90.1 mt -60.18 137.75 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.137 1.375 . . . . 0.0 110.572 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.5 p-80 -140.81 106.78 5.17 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.743 1.617 . . . . 0.0 109.948 -176.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.442 ' HB2' HD11 ' A' ' 57' ' ' LEU . 70.6 m-85 -96.3 134.24 39.66 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.827 0.851 . . . . 0.0 110.511 176.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.0 m -63.19 -29.73 71.01 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.137 0.975 . . . . 0.0 113.048 175.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.6 t -164.46 153.6 13.37 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.326 1.851 . . . . 0.0 110.798 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.1 m -54.12 -23.0 12.44 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 167.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -58.94 -41.39 87.26 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.642 1.11 . . . . 0.0 111.912 174.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -72.6 -35.02 67.79 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.915 0.886 . . . . 0.0 112.07 175.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.39 -48.1 81.23 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.432 -0.792 . . . . 0.0 111.582 175.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 12.7 m0 -61.14 -33.9 74.14 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 176.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.06 -19.81 64.74 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 172.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -102.28 3.65 38.36 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.125 1.77 . . . . 0.0 112.943 173.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.06 11.76 83.31 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.805 1.193 . . . . 0.0 114.911 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -79.37 98.09 6.59 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.733 1.266 . . . . 0.0 109.566 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.7 p -138.39 160.11 40.35 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.972 1.709 . . . . 0.0 111.511 177.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.8 t0 47.83 43.19 16.97 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.812 1.245 . . . . 0.0 113.145 -175.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 90.4 mt -61.23 124.77 16.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 124.014 0.926 . . . . 0.0 110.129 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 47.1 m170 -99.22 172.49 7.33 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.795 1.638 . . . . 0.0 111.819 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -50.21 134.95 22.01 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.012 0.925 . . . . 0.0 112.807 173.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.39 -11.27 63.93 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.571 1.081 . . . . 0.0 115.408 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.16 152.73 46.31 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 119.239 1.519 . . . . 0.0 111.743 170.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -65.21 124.23 12.68 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.556 2.837 . . . . 0.0 111.916 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.29 -8.45 44.71 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.248 0.928 . . . . 0.0 114.549 178.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -54.61 -28.44 46.53 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.512 1.656 . . . . 0.0 113.499 173.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 t -66.48 159.51 27.03 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.982 1.313 . . . . 0.0 113.838 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.49 -22.13 19.56 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.684 1.193 . . . . 0.0 114.011 172.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -61.06 -17.17 50.95 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.681 1.992 . . . . 0.0 114.456 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.442 HD11 ' HB2' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -117.52 -46.12 2.68 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.752 1.621 . . . . 0.0 111.782 178.899 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -96.14 98.89 10.69 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.288 1.035 . . . . 0.0 110.619 -176.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -52.77 -33.09 46.96 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.332 1.453 . . . . 0.0 114.817 -175.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -88.72 -4.35 58.55 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.653 1.981 . . . . 0.0 113.838 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.7 t60 30.96 55.78 0.22 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 129.132 2.973 . . . . 0.0 114.955 -176.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -93.85 19.55 8.76 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -177.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.43 18.38 79.2 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.406 1.003 . . . . 0.0 114.637 176.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.9 t -143.33 152.34 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 126.939 2.095 . . . . 0.0 107.238 174.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -135.14 143.28 46.44 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.852 0.751 . . . . 0.0 112.028 175.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.8 m 46.86 45.08 15.0 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.026 1.731 . . . . 0.0 112.587 -175.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.52 138.31 56.83 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.075 1.35 . . . . 0.0 113.677 -177.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -139.3 38.01 2.09 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 123.038 1.399 . . . . 0.0 110.535 -174.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -91.56 66.5 5.37 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.536 1.934 . . . . 0.0 110.817 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.8 m120 . . . . . 0 C--O 1.254 1.3 0 C-N-CA 126.877 2.071 . . . . 0.0 113.085 -176.126 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.81 132.9 52.34 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.041 0.937 . . . . 0.0 112.931 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.3 m -150.12 171.23 17.22 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 126.395 1.878 . . . . 0.0 111.493 -177.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -137.09 56.48 1.79 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.287 1.435 . . . . 0.0 112.558 -173.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.38 14.09 0.1 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 126.915 2.086 . . . . 0.0 115.448 177.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -72.2 35.92 0.07 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 127.985 2.514 . . . . 0.0 115.693 -175.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 87.7 mt -57.31 137.21 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.288 1.435 . . . . 0.0 111.484 177.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -137.61 111.29 8.15 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.687 1.595 . . . . 0.0 110.4 175.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -97.4 139.14 33.79 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.534 1.134 . . . . 0.0 110.768 172.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.7 m -70.6 -27.32 64.0 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 173.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.5 t -163.76 154.09 15.41 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.671 1.588 . . . . 0.0 111.628 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.9 m -55.38 -23.04 22.38 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 165.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -56.59 -39.9 74.33 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.592 1.087 . . . . 0.0 113.005 173.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -78.11 -33.58 50.52 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.923 0.889 . . . . 0.0 112.221 175.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.11 -48.21 76.99 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.63 0.772 . . . . 0.0 112.074 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 9.9 m0 -59.27 -35.21 73.32 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.313 1.045 . . . . 0.0 113.392 176.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.91 -21.71 66.59 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 174.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -98.23 4.35 48.86 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.035 1.734 . . . . 0.0 112.839 172.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.27 4.07 90.33 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.285 1.422 . . . . 0.0 114.936 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -70.5 110.61 5.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.922 1.361 . . . . 0.0 109.65 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.0 p -150.91 160.43 43.91 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.607 1.563 . . . . 0.0 111.3 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 49.59 36.78 11.09 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.152 1.381 . . . . 0.0 113.541 -177.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.415 HG23 ' CB ' ' A' ' 50' ' ' GLU . 69.6 mt -56.29 126.4 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.115 1.366 . . . . 0.0 109.97 -178.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -103.38 173.4 6.32 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.378 1.471 . . . . 0.0 112.086 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -48.51 134.13 15.76 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.045 0.938 . . . . 0.0 112.854 174.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.34 -20.88 31.51 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 124.808 1.194 . . . . 0.0 115.121 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.415 ' CB ' HG23 ' A' ' 46' ' ' ILE . 23.8 mt-10 -78.5 155.34 78.85 Favored Pre-proline 0 CA--C 1.546 0.798 0 CA-C-N 119.697 1.749 . . . . 0.0 112.642 171.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -65.34 124.92 13.62 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.363 2.709 . . . . 0.0 111.758 177.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.95 -6.98 52.2 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.479 1.037 . . . . 0.0 114.713 177.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -57.15 -27.16 61.62 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 119.404 1.602 . . . . 0.0 113.3 172.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.1 m -66.96 156.2 36.52 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.156 1.382 . . . . 0.0 113.738 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.77 -21.61 11.6 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.969 1.308 . . . . 0.0 114.317 172.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -59.69 -23.83 63.43 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.474 1.509 . . . . 0.0 114.047 173.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.19 -45.85 3.25 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.512 1.525 . . . . 0.0 111.309 177.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -94.81 93.5 7.52 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.042 0.937 . . . . 0.0 111.14 -172.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.83 -31.95 7.96 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 125.726 1.611 . . . . 0.0 114.891 -179.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -92.11 -8.47 45.67 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.952 1.701 . . . . 0.0 114.091 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 31.36 48.36 0.08 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 128.899 2.88 . . . . 0.0 115.008 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -83.68 8.04 15.67 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.811 1.244 . . . . 0.0 114.129 -178.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.85 12.65 82.47 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.61 1.1 . . . . 0.0 114.138 -177.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.9 t -139.09 130.17 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 124.419 1.088 . . . . 0.0 109.155 173.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -120.06 144.42 47.59 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.804 0.811 . . . . 0.0 111.534 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.4 m 50.13 37.93 15.76 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 126.318 1.847 . . . . 0.0 113.067 -174.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -55.17 149.28 12.65 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 126.016 1.726 . . . . 0.0 115.082 175.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.7 mp -118.32 -42.14 2.8 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.68 1.192 . . . . 0.0 113.25 172.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 114.55 2.86 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.478 1.111 . . . . 0.0 111.599 175.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.4 p30 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 124.713 1.205 . . . . 0.0 113.322 -179.5 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.71 145.03 42.06 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.881 1.272 . . . . 0.0 111.358 178.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 p -74.92 -47.88 27.44 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.314 1.046 . . . . 0.0 113.221 -177.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 42.79 37.88 1.19 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.763 2.025 . . . . 0.0 113.979 -174.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -111.46 88.49 2.81 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.941 1.296 . . . . 0.0 110.142 -174.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -145.75 146.87 31.39 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.564 0.746 . . . . 0.0 111.846 177.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.9 mt -73.4 133.68 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.512 1.125 . . . . 0.0 110.541 -178.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -134.78 93.09 2.98 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.185 1.394 . . . . 0.0 111.175 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -77.63 134.53 38.17 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.925 0.89 . . . . 0.0 110.716 170.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.7 m -70.44 -34.1 72.09 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 175.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.7 m -155.62 151.58 27.68 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.378 1.871 . . . . 0.0 111.182 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.6 m -56.66 -24.35 48.02 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 170.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -52.94 -40.51 63.7 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.436 1.094 . . . . 0.0 113.226 170.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -74.46 -36.1 63.33 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.544 0.738 . . . . 0.0 111.68 177.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.29 -47.27 71.15 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.246 1.019 . . . . 0.0 112.009 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.2 m0 -58.45 -37.83 76.24 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.703 1.201 . . . . 0.0 112.976 175.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.87 -22.74 67.06 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 174.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -95.6 1.36 53.67 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.676 1.591 . . . . 0.0 113.183 172.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.98 13.38 79.5 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.805 1.193 . . . . 0.0 114.789 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -80.48 98.77 7.71 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.547 1.174 . . . . 0.0 109.17 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.0 p -140.83 159.43 42.22 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.98 1.712 . . . . 0.0 111.305 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 t0 47.8 44.39 17.9 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.623 1.169 . . . . 0.0 112.741 -172.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.2 mt -57.97 127.81 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.557 1.143 . . . . 0.0 108.98 176.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 67.4 m170 -108.64 174.66 5.77 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.473 1.509 . . . . 0.0 111.054 174.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -49.31 133.73 19.25 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.563 0.745 . . . . 0.0 112.937 175.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.65 -22.94 18.49 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.597 1.094 . . . . 0.0 114.729 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -77.11 153.6 82.46 Favored Pre-proline 0 CA--C 1.548 0.877 0 CA-C-N 119.583 1.692 . . . . 0.0 111.598 170.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -66.91 132.37 28.13 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.219 2.612 . . . . 0.0 111.769 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.23 -5.66 65.64 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 124.265 0.936 . . . . 0.0 114.658 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -58.0 -26.0 61.81 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.455 1.627 . . . . 0.0 113.228 172.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.2 t -65.54 156.71 31.76 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.522 1.129 . . . . 0.0 112.858 -178.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.65 -20.53 14.27 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 171.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.8 mttm -60.44 -23.0 64.07 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.781 1.632 . . . . 0.0 114.5 173.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -114.38 -42.59 3.29 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.319 1.448 . . . . 0.0 111.385 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -98.4 93.06 5.98 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.446 1.098 . . . . 0.0 110.479 -173.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -48.22 -32.86 7.69 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 126.075 1.75 . . . . 0.0 114.901 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -90.74 -10.24 43.69 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.881 1.672 . . . . 0.0 114.104 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.4 t60 30.14 48.76 0.06 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 129.078 2.951 . . . . 0.0 114.927 -172.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -79.84 7.85 7.93 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.977 1.311 . . . . 0.0 114.177 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.41 9.48 84.84 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.703 1.144 . . . . 0.0 114.147 -177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.3 t -135.77 126.13 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.452 1.101 . . . . 0.0 109.133 175.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.69 146.88 43.42 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.572 0.701 . . . . 0.0 111.199 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.8 m 46.41 43.55 11.98 Favored 'General case' 0 CA--C 1.554 1.135 0 C-N-CA 125.995 1.718 . . . . 0.0 112.897 -173.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -57.07 138.39 54.5 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.264 1.425 . . . . 0.0 114.327 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.9 mt -123.45 -39.89 2.41 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.922 1.289 . . . . 0.0 113.55 175.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -66.65 -35.76 80.95 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.953 0.901 . . . . 0.0 113.152 -171.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 . . . . . 0 C--O 1.255 1.373 0 C-N-CA 128.798 2.839 . . . . 0.0 113.849 -179.278 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -151.94 175.47 12.46 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.207 1.403 . . . . 0.0 111.549 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.9 m -119.92 92.94 3.9 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.667 1.587 . . . . 0.0 109.917 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -118.94 61.49 0.8 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.622 1.569 . . . . 0.0 111.28 -171.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.26 37.99 20.15 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.575 1.55 . . . . 0.0 112.97 -174.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -50.04 122.14 6.33 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.52 1.528 . . . . 0.0 112.644 177.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.4 mt -71.69 131.78 34.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 124.375 1.07 . . . . 0.0 110.156 177.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -129.15 104.19 7.4 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.873 1.669 . . . . 0.0 109.914 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.474 ' HB2' HD11 ' A' ' 57' ' ' LEU . 65.0 m-85 -90.91 134.78 34.2 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.803 0.841 . . . . 0.0 110.538 171.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.6 m -65.44 -30.2 70.97 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.614 0.765 . . . . 0.0 112.843 174.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.5 p -165.49 159.95 17.34 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.662 1.585 . . . . 0.0 112.2 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.2 m -58.72 -22.22 56.95 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 168.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -61.05 -39.87 91.46 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.593 1.088 . . . . 0.0 111.479 175.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -72.42 -34.97 68.23 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.875 0.87 . . . . 0.0 111.934 175.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.6 -47.65 77.86 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.85 0.86 . . . . 0.0 111.988 177.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -59.67 -34.27 72.64 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.118 -0.989 . . . . 0.0 113.558 176.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.03 -22.4 66.91 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 174.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -97.38 2.3 50.35 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.947 1.699 . . . . 0.0 112.839 173.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.47 13.12 82.19 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.739 1.161 . . . . 0.0 114.638 -177.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -80.76 110.72 16.54 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 118.779 1.29 . . . . 0.0 109.714 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 p -151.63 158.74 43.88 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.471 1.509 . . . . 0.0 112.106 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 48.55 39.38 13.02 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.237 1.415 . . . . 0.0 113.518 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.539 HG23 ' HB3' ' A' ' 50' ' ' GLU . 74.4 mt -57.57 125.74 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.991 1.316 . . . . 0.0 110.288 -177.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -99.47 175.35 5.88 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.79 1.636 . . . . 0.0 111.937 175.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -51.18 138.9 19.49 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.271 -0.893 . . . . 0.0 113.022 173.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.41 -20.38 14.35 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 124.799 1.19 . . . . 0.0 114.944 -178.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.539 ' HB3' HG23 ' A' ' 46' ' ' ILE . 11.2 mt-10 -79.59 154.69 76.27 Favored Pre-proline 0 CA--C 1.547 0.832 0 CA-C-N 119.227 1.514 . . . . 0.0 112.305 172.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.11 124.99 12.89 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.427 2.752 . . . . 0.0 111.813 -178.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.58 -5.63 54.68 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 124.102 0.858 . . . . 0.0 114.714 177.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -56.6 -28.33 60.1 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.212 1.506 . . . . 0.0 113.258 171.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.1 m -66.46 154.6 39.83 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.386 1.474 . . . . 0.0 113.483 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.94 -20.63 16.83 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.836 1.254 . . . . 0.0 114.348 174.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -23.96 19.21 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.601 1.961 . . . . 0.0 114.162 169.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' A' ' 32' ' ' PHE . 1.0 OUTLIER -116.28 -48.03 2.73 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.565 1.546 . . . . 0.0 111.956 -179.559 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -93.77 95.5 9.18 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.114 0.965 . . . . 0.0 110.204 -175.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 -50.98 -33.56 25.27 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.477 1.511 . . . . 0.0 114.431 -177.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -85.04 -9.04 58.42 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.871 2.068 . . . . 0.0 113.887 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.0 t60 29.65 52.52 0.1 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 129.037 2.935 . . . . 0.0 114.788 -173.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -87.11 9.38 20.04 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.897 1.279 . . . . 0.0 113.654 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.51 13.45 82.56 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.619 1.104 . . . . 0.0 114.413 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.6 t -140.87 123.58 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 118.512 1.156 . . . . 0.0 109.641 176.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -110.69 140.65 44.87 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 121.776 0.798 . . . . 0.0 111.799 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m 50.36 44.58 26.65 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.951 2.1 . . . . 0.0 113.749 -177.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.58 154.57 32.26 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 127.144 2.178 . . . . 0.0 115.263 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.9 mp -116.65 -33.5 4.83 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -59.16 121.87 12.4 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.148 0.885 . . . . 0.0 110.631 172.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 65.2 t30 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.074 1.75 . . . . 0.0 112.812 177.699 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.424 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.71 172.09 8.08 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.107 0.963 . . . . 0.0 112.811 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.9 p -104.77 159.22 15.95 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.448 1.499 . . . . 0.0 111.963 174.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -148.16 159.6 43.78 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.851 1.26 . . . . 0.0 112.071 176.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.57 20.22 2.54 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.487 1.515 . . . . 0.0 112.579 -176.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -123.32 146.76 47.66 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.779 1.632 . . . . 0.0 110.412 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.79 146.58 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.142 0.977 . . . . 0.0 110.847 177.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -143.53 96.8 2.97 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.396 1.479 . . . . 0.0 111.361 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -86.16 135.12 33.71 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.387 -0.821 . . . . 0.0 110.991 174.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.9 t -67.34 -32.79 73.98 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.408 0.683 . . . . 0.0 112.324 173.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.1 t -160.23 155.58 25.13 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.733 1.613 . . . . 0.0 111.363 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.2 m -55.17 -23.26 20.79 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 168.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -54.68 -41.4 70.16 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.668 1.122 . . . . 0.0 112.839 171.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -74.27 -35.61 63.79 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.426 1.09 . . . . 0.0 112.094 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.89 -49.62 67.41 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.885 0.874 . . . . 0.0 111.945 175.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -59.24 -35.85 74.41 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.597 1.159 . . . . 0.0 113.279 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.46 -22.04 65.92 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 173.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -100.35 4.59 44.07 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.021 1.728 . . . . 0.0 112.973 173.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.96 13.17 82.54 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.807 1.194 . . . . 0.0 114.834 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -80.07 98.08 7.1 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.707 1.253 . . . . 0.0 109.382 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.1 p -137.45 159.56 41.6 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.951 1.7 . . . . 0.0 111.553 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.9 t70 47.43 47.02 17.35 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.523 1.129 . . . . 0.0 112.945 -172.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.4 mt -61.96 116.71 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 O-C-N 120.98 -1.075 . . . . 0.0 109.414 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -94.93 174.86 6.88 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.513 1.525 . . . . 0.0 111.971 172.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -48.25 133.8 15.23 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.226 1.01 . . . . 0.0 113.046 173.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.5 -22.41 24.18 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.014 1.292 . . . . 0.0 115.163 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -78.5 153.79 78.86 Favored Pre-proline 0 CA--C 1.548 0.896 0 CA-C-N 119.149 1.474 . . . . 0.0 111.914 171.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -68.12 126.66 14.74 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.483 2.789 . . . . 0.0 111.693 -177.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.46 -4.65 51.18 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.149 0.881 . . . . 0.0 114.694 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -59.06 -25.91 64.16 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.452 1.626 . . . . 0.0 113.102 173.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.0 m -65.74 154.33 39.31 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.313 1.445 . . . . 0.0 113.487 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.76 -21.26 18.08 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.865 1.266 . . . . 0.0 114.186 173.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -27.61 38.62 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.625 1.97 . . . . 0.0 114.055 170.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.14 -42.68 4.11 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.686 1.594 . . . . 0.0 111.525 178.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -102.86 94.42 5.57 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.152 0.981 . . . . 0.0 111.085 -169.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -50.12 -31.53 13.62 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.553 1.541 . . . . 0.0 114.947 -177.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -89.62 -12.4 39.79 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.198 1.399 . . . . 0.0 113.959 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 31.67 45.03 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 129.132 2.973 . . . . 0.0 115.478 -172.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.7 p30 -75.63 6.85 4.29 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 177.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.96 12.4 81.21 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.272 0.939 . . . . 0.0 114.09 -177.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.4 t -136.43 125.46 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 124.47 1.108 . . . . 0.0 108.881 173.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.34 145.53 43.98 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.785 0.802 . . . . 0.0 111.579 178.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.8 m 46.89 43.57 13.57 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.944 1.698 . . . . 0.0 112.458 -172.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -51.99 129.3 26.8 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.147 1.779 . . . . 0.0 113.706 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.0 tp -144.47 29.26 1.28 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.221 1.408 . . . . 0.0 113.532 -171.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.98 29.55 12.47 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 126.475 1.91 . . . . 0.0 114.745 178.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.4 t30 . . . . . 0 C--O 1.25 1.118 0 C-N-CA 125.254 1.422 . . . . 0.0 112.086 -175.324 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.93 177.03 8.18 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.646 1.578 . . . . 0.0 111.518 177.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.2 p 46.21 31.11 1.12 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 126.889 2.076 . . . . 0.0 115.227 -173.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -66.67 156.36 35.47 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.195 1.398 . . . . 0.0 112.219 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -126.57 82.02 2.05 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.063 1.345 . . . . 0.0 110.279 -176.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -62.08 106.7 0.75 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.104 1.362 . . . . 0.0 111.005 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.3 mt -83.29 137.46 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.186 0.994 . . . . 0.0 109.955 176.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -135.0 100.63 4.63 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.43 1.492 . . . . 0.0 110.238 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.427 ' HB2' HD11 ' A' ' 57' ' ' LEU . 64.0 m-85 -87.63 134.66 33.6 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.436 0.694 . . . . 0.0 110.851 173.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.7 m -66.13 -29.13 69.38 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.046 0.938 . . . . 0.0 113.395 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.4 t -164.36 153.32 13.29 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.155 1.782 . . . . 0.0 111.121 174.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.1 m -54.4 -24.13 18.54 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 166.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -55.8 -38.15 69.57 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.62 1.1 . . . . 0.0 113.041 171.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -75.23 -37.2 61.16 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.482 0.713 . . . . 0.0 111.823 175.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.25 -48.08 79.73 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.758 0.823 . . . . 0.0 112.059 176.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -58.06 -38.27 76.02 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.059 0.944 . . . . 0.0 113.361 176.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.79 -23.76 67.49 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 175.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -96.83 1.02 50.18 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.792 1.637 . . . . 0.0 113.341 174.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.55 7.9 87.63 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.622 1.106 . . . . 0.0 114.66 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -78.03 88.64 4.17 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.911 1.285 . . . . 0.0 109.377 177.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 t -131.94 159.52 38.44 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.794 2.038 . . . . 0.0 110.635 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.4 t0 50.9 42.94 28.67 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.434 1.494 . . . . 0.0 112.511 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.18 108.59 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.057 1.343 . . . . 0.0 109.763 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 64.1 m170 -79.15 170.26 16.92 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.778 1.231 . . . . 0.0 112.065 173.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -53.74 135.44 41.32 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.239 1.016 . . . . 0.0 112.126 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.4 -21.97 32.42 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 124.566 1.079 . . . . 0.0 114.843 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -81.18 154.21 72.14 Favored Pre-proline 0 CA--C 1.548 0.878 0 CA-C-N 119.087 1.444 . . . . 0.0 111.859 172.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -66.52 127.45 17.29 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.036 2.491 . . . . 0.0 111.792 -174.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.6 -9.04 52.25 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 118.641 -1.088 . . . . 0.0 114.625 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -53.23 -30.08 35.97 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.837 1.819 . . . . 0.0 113.212 172.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.4 m -65.0 155.61 34.04 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.966 1.707 . . . . 0.0 114.537 -178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.16 -22.09 15.89 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.141 1.377 . . . . 0.0 114.354 173.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -56.65 -23.26 40.19 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.854 2.061 . . . . 0.0 114.145 172.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.427 HD11 ' HB2' ' A' ' 32' ' ' PHE . 0.6 OUTLIER -112.96 -47.1 3.06 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.139 1.775 . . . . 0.0 111.377 178.886 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -96.06 94.31 7.49 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.322 1.049 . . . . 0.0 110.859 -172.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -48.93 -31.74 7.84 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 125.954 1.701 . . . . 0.0 115.083 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -91.55 -9.42 44.33 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.655 1.582 . . . . 0.0 114.174 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 33.43 49.9 0.25 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 128.692 2.797 . . . . 0.0 115.226 -176.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.4 p30 -84.18 10.86 9.21 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.801 1.24 . . . . 0.0 114.157 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.61 13.77 79.4 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.431 1.015 . . . . 0.0 114.398 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 t -141.79 127.29 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.707 1.203 . . . . 0.0 109.011 175.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -113.53 141.75 46.77 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 123.574 0.546 . . . . 0.0 111.697 -178.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 m 47.1 48.17 15.81 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.029 1.732 . . . . 0.0 112.429 -174.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -60.53 152.95 24.64 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 124.659 1.183 . . . . 0.0 113.67 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.2 mt -133.18 -33.52 1.13 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.288 1.035 . . . . 0.0 113.529 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -65.14 -39.86 93.62 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.564 1.146 . . . . 0.0 113.312 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 125.795 1.638 . . . . 0.0 111.394 173.959 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -138.05 56.92 1.73 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.263 1.425 . . . . 0.0 111.688 -173.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.6 t -53.78 134.49 42.27 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.143 1.377 . . . . 0.0 112.687 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -74.64 98.88 3.51 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.659 1.183 . . . . 0.0 111.89 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.82 -27.58 68.86 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 176.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -131.59 115.35 15.98 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.472 1.909 . . . . 0.0 109.266 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.9 mt -88.07 142.01 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.612 1.165 . . . . 0.0 110.084 177.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -140.49 78.46 1.65 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.987 1.315 . . . . 0.0 112.714 -173.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -70.82 131.24 43.5 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.351 -0.843 . . . . 0.0 111.795 175.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.1 m -67.36 -29.38 68.9 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.034 0.933 . . . . 0.0 113.286 176.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.5 t -164.93 158.31 17.01 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.641 1.976 . . . . 0.0 110.232 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.1 m -55.19 -22.5 17.8 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 165.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.86 -42.59 80.02 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 120.065 1.302 . . . . 0.0 111.899 172.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -71.53 -36.22 70.94 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.941 0.896 . . . . 0.0 111.758 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.68 -48.68 68.55 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.138 0.975 . . . . 0.0 111.759 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -60.36 -35.18 75.1 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.356 1.063 . . . . 0.0 113.479 176.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.96 -21.51 64.86 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 173.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -101.24 2.68 40.16 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.898 1.679 . . . . 0.0 113.112 173.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.37 9.46 81.75 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.065 1.316 . . . . 0.0 115.042 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -75.57 102.62 5.35 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.715 1.257 . . . . 0.0 109.319 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.3 t -142.03 159.81 41.48 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.556 1.942 . . . . 0.0 110.212 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.7 t0 51.12 41.0 27.11 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.33 1.452 . . . . 0.0 112.593 -175.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 78.4 mt -59.89 121.14 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.329 1.052 . . . . 0.0 109.213 178.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -101.53 174.26 6.05 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.305 1.442 . . . . 0.0 111.426 174.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -52.66 130.34 32.06 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.697 0.799 . . . . 0.0 112.313 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.1 -22.89 37.13 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.005 1.288 . . . . 0.0 114.423 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -76.64 154.6 83.55 Favored Pre-proline 0 CA--C 1.547 0.833 0 CA-C-N 118.795 1.298 . . . . 0.0 111.669 169.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -67.81 132.25 26.19 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 123.216 2.611 . . . . 0.0 111.777 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.2 -8.4 62.73 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.083 0.849 . . . . 0.0 114.577 177.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -57.28 -28.36 62.94 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.294 1.547 . . . . 0.0 113.059 172.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.5 m -69.36 155.05 41.07 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.454 1.502 . . . . 0.0 112.93 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.0 -19.54 44.58 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -56.02 -23.68 34.47 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.671 1.588 . . . . 0.0 114.494 169.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -115.81 -41.65 3.19 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.094 1.358 . . . . 0.0 111.863 -178.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -99.8 93.38 5.77 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.896 0.878 . . . . 0.0 110.414 -175.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -52.21 -33.56 41.59 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.191 1.396 . . . . 0.0 114.402 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -84.02 -10.38 57.93 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.486 1.914 . . . . 0.0 113.792 177.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.8 t60 30.71 50.82 0.1 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 129.229 3.011 . . . . 0.0 114.583 -174.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -86.28 7.92 23.42 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.789 1.235 . . . . 0.0 113.591 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.21 11.56 84.91 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 124.763 1.173 . . . . 0.0 114.299 -177.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.3 t -137.58 116.73 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.504 1.152 . . . . 0.0 109.218 174.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.91 145.29 30.61 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.641 0.734 . . . . 0.0 111.729 176.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 m 50.52 45.84 26.13 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 126.375 1.87 . . . . 0.0 113.546 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -63.55 146.5 53.58 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 125.553 1.541 . . . . 0.0 115.151 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.4 mt -124.18 26.85 7.31 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 126.443 1.897 . . . . 0.0 112.666 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.77 94.74 0.1 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.048 1.739 . . . . 0.0 111.854 174.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 127.154 2.181 . . . . 0.0 113.668 -176.111 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.491 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.66 99.02 3.0 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.965 0.906 . . . . 0.0 111.825 -178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m -62.97 159.17 17.54 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.274 1.03 . . . . 0.0 112.747 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -146.91 165.93 28.27 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.012 1.325 . . . . 0.0 111.784 175.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -131.82 85.44 2.25 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.011 1.324 . . . . 0.0 109.956 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -135.19 145.56 47.83 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.123 1.369 . . . . 0.0 111.828 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.8 mt -91.18 141.85 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.053 0.941 . . . . 0.0 109.457 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -144.61 72.75 1.35 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.909 1.284 . . . . 0.0 112.626 -170.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -65.18 139.25 58.65 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.595 -0.691 . . . . 0.0 111.632 172.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.4 p -67.91 -41.37 82.74 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.076 0.951 . . . . 0.0 113.055 177.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 m -158.27 158.74 35.01 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 127.319 2.248 . . . . 0.0 110.495 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.9 m -54.41 -24.27 19.22 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 173.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -54.89 -43.79 73.51 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.066 1.303 . . . . 0.0 113.103 171.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -71.27 -37.05 71.93 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.626 0.77 . . . . 0.0 111.66 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.23 -49.75 72.93 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.735 0.814 . . . . 0.0 111.685 175.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -59.45 -36.75 76.54 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.68 1.192 . . . . 0.0 113.352 175.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.39 -22.74 65.25 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 174.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -100.45 1.73 41.49 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.806 1.642 . . . . 0.0 113.124 174.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.25 15.93 68.11 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.819 1.2 . . . . 0.0 114.953 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -82.76 91.36 7.02 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.648 1.224 . . . . 0.0 109.266 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.8 p -127.98 157.33 40.9 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.828 1.651 . . . . 0.0 112.127 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 51.7 36.8 18.49 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 125.074 1.35 . . . . 0.0 113.66 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 70.6 mt -56.12 128.35 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.223 1.409 . . . . 0.0 110.755 -174.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -104.84 171.5 7.29 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.313 1.445 . . . . 0.0 112.445 175.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -52.74 128.27 25.99 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.779 0.832 . . . . 0.0 112.197 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.22 -22.39 41.13 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.969 1.271 . . . . 0.0 114.181 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -76.17 156.67 83.76 Favored Pre-proline 0 CA--C 1.545 0.765 0 CA-C-N 118.818 1.309 . . . . 0.0 112.01 169.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -67.37 130.86 23.38 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 123.072 2.515 . . . . 0.0 111.893 177.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.33 -9.97 59.5 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.542 1.068 . . . . 0.0 114.694 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -55.06 -29.03 56.63 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.112 1.456 . . . . 0.0 113.516 173.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.4 m -69.67 155.97 39.69 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.727 1.611 . . . . 0.0 113.54 -175.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.07 -24.88 27.48 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.046 1.338 . . . . 0.0 114.233 177.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -54.38 -24.31 19.17 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.267 1.827 . . . . 0.0 114.761 171.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.54 -44.31 2.98 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.113 1.365 . . . . 0.0 111.425 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -95.02 93.27 7.28 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.022 0.929 . . . . 0.0 110.593 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -50.97 -32.82 22.18 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.094 1.357 . . . . 0.0 114.566 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -85.55 -10.15 56.37 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.13 1.772 . . . . 0.0 113.941 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 32.08 50.19 0.16 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 128.986 2.914 . . . . 0.0 114.863 -176.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.4 p-10 -85.74 5.37 32.63 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.135 1.374 . . . . 0.0 113.854 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.02 12.79 82.16 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.469 1.033 . . . . 0.0 114.217 -177.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 t -138.93 126.48 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.591 1.157 . . . . 0.0 108.632 173.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -114.54 143.19 45.38 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.718 0.77 . . . . 0.0 111.427 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.8 m 50.25 44.11 26.33 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.847 1.659 . . . . 0.0 112.526 -177.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -57.66 146.57 30.33 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.584 1.954 . . . . 0.0 114.556 177.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -111.81 -28.67 7.98 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.135 1.374 . . . . 0.0 114.045 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -139.41 -21.23 0.93 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.673 1.589 . . . . 0.0 114.856 -172.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 . . . . . 0 C--O 1.251 1.134 0 C-N-CA 125.202 1.401 . . . . 0.0 112.886 -178.211 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.459 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.0 162.46 13.99 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.47 1.108 . . . . 0.0 113.493 176.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.6 m -65.81 148.68 51.39 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.267 1.027 . . . . 0.0 112.689 175.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -153.64 158.24 40.81 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.643 1.577 . . . . 0.0 110.573 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.05 70.06 1.36 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.87 1.268 . . . . 0.0 110.763 -172.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -62.96 112.83 2.75 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.097 0.959 . . . . 0.0 112.202 177.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.59 137.65 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.299 1.04 . . . . 0.0 110.391 172.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -138.05 102.27 4.64 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.435 1.494 . . . . 0.0 110.46 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -83.55 144.71 29.32 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.973 0.909 . . . . 0.0 111.091 172.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.3 t -69.69 -34.26 73.68 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.269 0.628 . . . . 0.0 112.468 174.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.4 t -162.9 158.63 22.73 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.078 1.751 . . . . 0.0 111.061 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.4 m -55.79 -22.52 24.93 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 166.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -62.39 -31.88 72.61 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.445 -0.784 . . . . 0.0 112.822 174.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -80.04 -34.08 38.55 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.809 1.244 . . . . 0.0 112.304 171.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.84 -47.12 86.49 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.48 -0.762 . . . . 0.0 111.87 174.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -60.37 -34.7 74.26 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 175.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.64 -18.56 64.07 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 173.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -104.86 0.23 27.79 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.918 1.687 . . . . 0.0 113.026 175.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.4 14.58 82.25 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 124.453 1.025 . . . . 0.0 114.634 -175.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -79.81 97.36 6.62 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.816 1.246 . . . . 0.0 108.74 176.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.4 m -139.73 157.71 45.31 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.223 1.409 . . . . 0.0 111.227 -171.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 47.06 39.71 8.36 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.899 1.279 . . . . 0.0 113.424 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.7 mt -57.2 130.87 20.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 125.215 1.406 . . . . 0.0 110.994 -174.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 55.7 m170 -104.29 170.73 7.73 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.406 1.483 . . . . 0.0 112.091 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -52.81 125.93 18.49 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.112 0.965 . . . . 0.0 112.014 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.96 -24.01 34.02 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.027 1.299 . . . . 0.0 114.156 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.56 152.51 78.19 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-N 118.562 1.181 . . . . 0.0 111.564 172.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -68.26 126.32 14.16 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.341 2.694 . . . . 0.0 111.596 -174.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.96 -4.17 52.55 Favored Glycine 0 CA--C 1.534 1.271 0 CA-C-O 118.877 -0.957 . . . . 0.0 114.792 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -55.22 -29.05 57.2 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.498 1.649 . . . . 0.0 113.493 171.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.7 m -64.47 154.75 34.9 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.809 1.644 . . . . 0.0 114.066 -177.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.75 -22.63 14.71 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.116 1.366 . . . . 0.0 114.203 171.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -57.51 -24.97 58.98 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.205 1.802 . . . . 0.0 113.572 172.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.06 -51.77 2.83 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.01 1.724 . . . . 0.0 110.558 177.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -85.83 90.41 8.04 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.171 1.389 . . . . 0.0 110.888 -172.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.4 mmm-85 -52.49 -43.36 64.99 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.569 1.147 . . . . 0.0 112.852 -174.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -69.67 -17.59 63.5 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.102 1.361 . . . . 0.0 114.576 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 35.11 42.09 0.08 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 129.107 2.963 . . . . 0.0 115.967 -171.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.5 p30 -72.31 -4.39 29.46 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 173.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.1 12.77 59.76 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.32 0.962 . . . . 0.0 114.139 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.7 t -137.12 125.34 33.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.852 1.261 . . . . 0.0 108.609 172.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -110.62 141.45 43.82 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.599 0.714 . . . . 0.0 111.735 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.2 m 50.57 41.99 26.23 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.265 1.826 . . . . 0.0 112.352 -177.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -58.89 151.13 22.38 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.19 1.796 . . . . 0.0 114.265 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.9 mt -112.04 16.05 20.39 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.3 1.44 . . . . 0.0 113.758 -177.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -82.68 127.67 33.63 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.28 1.032 . . . . 0.0 110.99 171.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 48.4 t30 . . . . . 0 C--O 1.252 1.23 0 C-N-CA 126.221 1.808 . . . . 0.0 111.543 178.412 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.581 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 51.21 31.29 6.61 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 125.993 1.717 . . . . 0.0 115.046 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.9 m -62.57 159.63 15.49 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.983 1.313 . . . . 0.0 112.856 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -58.15 126.54 27.95 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.48 1.112 . . . . 0.0 112.206 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -69.51 -25.26 63.95 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -67.83 139.38 56.56 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 122.494 1.14 . . . . 0.0 111.928 173.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.8 mt -65.27 138.18 23.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 124.89 1.276 . . . . 0.0 110.191 176.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -141.23 83.34 1.87 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.176 1.391 . . . . 0.0 111.529 -171.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -75.61 133.11 40.98 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.499 -0.751 . . . . 0.0 111.733 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.5 t -68.34 -31.84 71.53 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.853 0.861 . . . . 0.0 112.78 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.5 t -161.39 154.0 20.41 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.198 1.799 . . . . 0.0 110.613 176.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.1 m -54.29 -24.4 18.86 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 165.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -57.67 -38.81 75.75 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.707 1.139 . . . . 0.0 113.052 173.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -74.76 -37.36 62.49 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.594 0.758 . . . . 0.0 111.598 175.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.58 -47.16 79.71 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.012 0.925 . . . . 0.0 111.983 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -59.2 -36.96 76.29 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.58 1.152 . . . . 0.0 113.25 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.58 -22.3 66.82 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 174.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -96.31 0.87 51.4 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.705 1.602 . . . . 0.0 113.084 173.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.34 13.52 73.48 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.775 1.179 . . . . 0.0 114.761 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -80.51 108.25 13.99 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.582 1.191 . . . . 0.0 109.057 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.8 p -147.41 158.81 44.13 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.599 1.56 . . . . 0.0 111.29 -177.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.4 t0 47.25 44.3 15.69 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.288 1.035 . . . . 0.0 112.252 -176.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 77.1 mt -62.08 124.69 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 123.971 0.908 . . . . 0.0 108.793 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -104.53 169.61 8.37 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.852 1.261 . . . . 0.0 111.34 174.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -45.35 129.2 8.22 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.277 1.431 . . . . 0.0 113.241 174.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.72 -25.31 25.54 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.826 1.203 . . . . 0.0 114.419 -177.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -80.89 155.07 73.14 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 118.88 1.34 . . . . 0.0 111.895 172.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -66.43 133.43 32.41 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.209 2.606 . . . . 0.0 111.819 -177.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.09 -6.08 68.85 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 123.979 0.8 . . . . 0.0 114.811 177.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -57.22 -28.3 62.76 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.453 1.626 . . . . 0.0 112.989 171.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.7 m -68.14 156.15 38.11 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.514 1.526 . . . . 0.0 113.556 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.47 -21.32 24.88 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.943 1.297 . . . . 0.0 114.485 176.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -55.81 -23.78 32.22 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.226 1.41 . . . . 0.0 114.733 170.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.11 -50.81 2.86 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.262 1.425 . . . . 0.0 110.812 178.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -89.15 96.58 10.78 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.554 0.742 . . . . 0.0 110.673 -173.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.87 -30.83 25.49 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.44 1.496 . . . . 0.0 114.751 -178.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -92.74 -9.55 40.22 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.797 1.639 . . . . 0.0 114.073 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.3 t60 29.78 52.07 0.1 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 128.798 2.839 . . . . 0.0 115.22 -174.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.9 p30 -83.34 9.43 10.93 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.099 1.359 . . . . 0.0 113.968 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.6 12.41 83.7 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.464 1.031 . . . . 0.0 114.181 -176.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.7 t -136.64 127.66 41.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.45 1.1 . . . . 0.0 109.02 174.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.28 143.32 46.04 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.64 0.733 . . . . 0.0 111.415 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.3 m 50.42 47.5 23.88 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.613 1.965 . . . . 0.0 113.402 -176.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 pm0 -68.68 150.04 48.4 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.862 1.665 . . . . 0.0 114.188 177.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -110.13 11.05 23.86 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 125.641 1.576 . . . . 0.0 112.787 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -67.27 119.02 11.45 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.155 1.382 . . . . 0.0 110.837 -177.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 . . . . . 0 C--O 1.253 1.282 0 C-N-CA 126.808 2.043 . . . . 0.0 111.852 -179.803 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.526 0 N-CA-C 112.168 -0.373 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.47 168.94 20.62 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.18 1.392 . . . . 0.0 111.989 178.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.1 m -131.82 48.09 2.46 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.755 1.622 . . . . 0.0 111.222 -174.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -70.8 40.67 0.06 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 127.132 2.173 . . . . 0.0 113.582 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -68.26 -32.06 71.97 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.446 1.498 . . . . 0.0 111.795 176.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -64.54 137.25 57.75 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.36 1.064 . . . . 0.0 112.093 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.78 138.45 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.677 1.191 . . . . 0.0 110.53 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 -144.57 79.83 1.61 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.498 1.519 . . . . 0.0 111.778 -169.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -72.74 137.49 45.92 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.39 -0.818 . . . . 0.0 112.051 176.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.2 t -69.05 -38.89 79.36 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.69 0.796 . . . . 0.0 112.147 173.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.1 m -154.89 152.76 30.15 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.394 1.878 . . . . 0.0 111.175 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.0 m -55.29 -23.44 23.26 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 170.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -56.36 -39.77 73.44 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.224 1.01 . . . . 0.0 112.751 173.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -74.27 -34.83 63.71 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.457 1.103 . . . . 0.0 112.076 175.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.36 -48.76 71.81 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.717 0.807 . . . . 0.0 111.693 174.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -58.83 -35.88 73.63 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.978 -1.076 . . . . 0.0 113.341 175.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.94 -22.11 66.55 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 174.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -98.96 3.72 47.1 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.95 1.7 . . . . 0.0 113.08 173.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.72 13.83 81.87 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.652 1.12 . . . . 0.0 114.717 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -78.98 89.12 4.75 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.661 1.23 . . . . 0.0 109.569 177.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.3 p -123.82 163.92 20.24 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.194 1.798 . . . . 0.0 110.775 173.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 53.28 37.6 25.66 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.204 1.402 . . . . 0.0 114.151 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 72.3 mt -57.52 125.68 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 124.606 1.163 . . . . 0.0 110.487 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -109.18 175.65 5.38 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.206 1.803 . . . . 0.0 111.385 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -52.18 135.8 31.31 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.36 -0.838 . . . . 0.0 111.537 174.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.06 -23.68 22.6 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 125.607 1.575 . . . . 0.0 114.797 -176.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -82.83 153.42 67.31 Favored Pre-proline 0 CA--C 1.547 0.856 0 CA-C-N 119.259 1.53 . . . . 0.0 112.412 175.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -67.04 124.91 12.81 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.37 2.714 . . . . 0.0 111.812 -177.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.63 -5.28 51.15 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.278 0.942 . . . . 0.0 114.658 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -56.01 -28.65 58.19 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.469 1.635 . . . . 0.0 113.261 171.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 63.6 m -65.93 154.91 38.03 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.498 1.519 . . . . 0.0 113.648 -177.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.31 -22.59 19.48 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.661 1.184 . . . . 0.0 113.916 174.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -56.1 -23.65 35.43 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.096 2.159 . . . . 0.0 114.351 171.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -114.4 -45.42 3.03 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.655 1.582 . . . . 0.0 111.375 176.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -96.9 91.98 5.9 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.967 0.907 . . . . 0.0 110.838 -171.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.66 -28.83 6.38 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -92.18 -9.5 42.14 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.648 1.579 . . . . 0.0 114.146 177.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 31.24 47.19 0.05 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 129.585 3.154 . . . . 0.0 115.154 -174.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 44.9 p30 -80.87 6.75 12.26 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.069 1.347 . . . . 0.0 114.367 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.85 13.37 77.94 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 124.444 1.021 . . . . 0.0 114.196 -177.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.5 t -139.28 129.92 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.592 1.157 . . . . 0.0 108.689 172.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -120.93 146.94 46.11 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.449 0.642 . . . . 0.0 111.085 178.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.9 m 45.25 42.68 7.36 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.631 1.572 . . . . 0.0 112.701 -173.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -53.66 131.7 39.5 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.978 1.711 . . . . 0.0 113.372 177.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.5 tp -137.31 27.64 2.83 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 124.846 1.259 . . . . 0.0 113.325 -172.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -127.49 52.58 1.82 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 126.628 1.971 . . . . 0.0 112.316 -176.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 124.672 1.189 . . . . 0.0 112.739 173.363 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.538 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.11 175.33 8.59 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.367 1.067 . . . . 0.0 112.701 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.9 m -142.73 132.84 24.48 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.954 1.302 . . . . 0.0 111.303 176.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -75.61 169.15 18.67 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.586 1.154 . . . . 0.0 112.205 172.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -112.52 24.05 12.91 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.486 1.514 . . . . 0.0 112.191 -178.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -138.7 132.67 31.18 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.481 1.512 . . . . 0.0 110.28 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.0 mt -98.85 131.03 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.711 1.204 . . . . 0.0 109.588 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -128.52 92.79 3.49 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.556 1.542 . . . . 0.0 110.776 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -82.21 140.43 33.7 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.371 0.668 . . . . 0.0 110.874 170.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.2 t -65.06 -43.05 93.5 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.601 0.76 . . . . 0.0 112.257 175.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.5 m -156.78 154.67 30.31 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.558 1.943 . . . . 0.0 111.248 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.7 m -55.42 -26.0 39.31 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 172.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -52.8 -39.49 62.41 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.218 1.007 . . . . 0.0 113.394 172.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -78.79 -33.83 45.98 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.646 0.778 . . . . 0.0 112.275 176.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.73 -47.28 78.82 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.624 0.77 . . . . 0.0 111.842 175.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -58.01 -37.66 74.7 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.277 1.031 . . . . 0.0 113.265 175.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.91 -24.22 67.65 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -93.03 1.41 57.28 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.689 1.596 . . . . 0.0 113.187 172.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.33 10.6 77.19 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.907 1.241 . . . . 0.0 114.739 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -79.95 102.45 9.22 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.677 1.239 . . . . 0.0 109.252 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.1 p -139.49 163.51 32.34 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.211 1.804 . . . . 0.0 110.707 178.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.01 39.28 18.57 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.282 1.033 . . . . 0.0 113.03 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.2 mt -61.1 119.29 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 O-C-N 121.074 -1.016 . . . . 0.0 109.592 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -98.53 174.17 6.58 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.778 1.631 . . . . 0.0 111.38 174.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -51.01 139.58 17.26 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 175.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.11 -23.27 9.75 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 124.987 1.279 . . . . 0.0 115.127 -176.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -81.4 153.86 71.42 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 119.478 1.639 . . . . 0.0 112.283 174.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -66.73 126.33 15.2 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.311 2.674 . . . . 0.0 111.89 -177.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.26 -7.91 52.2 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.246 0.927 . . . . 0.0 114.575 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -56.18 -27.74 55.57 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.222 1.511 . . . . 0.0 113.385 174.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.7 t -68.84 159.14 33.04 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.544 1.538 . . . . 0.0 113.439 -176.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.32 -21.06 21.86 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.677 1.191 . . . . 0.0 114.096 173.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -59.9 -23.16 63.26 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 174.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.1 -44.91 3.09 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.572 1.549 . . . . 0.0 111.495 -179.234 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -96.26 94.55 7.54 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.575 1.15 . . . . 0.0 110.039 -173.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -50.04 -31.67 13.58 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.783 1.633 . . . . 0.0 114.815 -177.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -90.5 -11.17 41.04 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.671 1.588 . . . . 0.0 113.954 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 32.92 45.7 0.07 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 128.953 2.901 . . . . 0.0 115.167 -173.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.6 p30 -78.27 9.52 3.76 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 175.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.33 14.23 81.79 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.42 1.01 . . . . 0.0 113.92 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 t -138.62 119.96 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.339 1.055 . . . . 0.0 109.159 175.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -110.45 145.84 36.95 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.744 0.783 . . . . 0.0 111.401 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 m 48.25 49.22 18.02 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.161 1.784 . . . . 0.0 112.946 -177.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.41 138.81 55.62 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 126.013 1.725 . . . . 0.0 114.302 -178.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.0 mt -125.33 25.04 7.22 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 126.228 1.811 . . . . 0.0 113.621 -178.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.94 -3.56 5.8 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -177.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.7 m120 . . . . . 0 C--O 1.253 1.255 0 C-N-CA 125.809 1.643 . . . . 0.0 111.892 -178.413 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.555 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.08 156.36 47.23 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.992 1.317 . . . . 0.0 111.435 175.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.0 t -148.43 121.96 9.15 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.134 1.374 . . . . 0.0 109.754 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -138.03 50.68 1.91 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.149 1.38 . . . . 0.0 110.77 -168.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -72.75 44.44 0.13 Allowed 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 126.336 1.854 . . . . 0.0 113.519 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -73.46 73.53 1.4 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.803 2.041 . . . . 0.0 112.955 -177.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.2 mt -58.3 141.25 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.948 1.299 . . . . 0.0 111.33 174.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -148.17 67.77 1.09 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.115 1.366 . . . . 0.0 113.236 -168.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -61.94 141.4 58.04 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.268 -0.895 . . . . 0.0 112.234 174.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.1 t -72.7 -40.75 65.95 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.473 0.709 . . . . 0.0 112.362 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.1 m -154.96 154.77 33.1 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.375 1.87 . . . . 0.0 111.067 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.0 m -56.56 -23.13 38.19 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 172.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -56.58 -40.19 74.81 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.735 1.152 . . . . 0.0 113.072 172.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -72.46 -37.22 68.57 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.329 0.651 . . . . 0.0 111.463 176.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.36 -47.7 78.32 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.859 0.864 . . . . 0.0 112.092 176.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -58.67 -37.79 76.79 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.351 1.06 . . . . 0.0 113.138 175.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.51 -22.16 66.89 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 174.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -96.14 3.56 53.16 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.884 1.674 . . . . 0.0 112.989 172.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.45 4.44 89.31 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.143 1.354 . . . . 0.0 114.966 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -75.25 105.13 6.11 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.737 1.268 . . . . 0.0 109.553 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -141.57 162.64 34.98 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.214 1.406 . . . . 0.0 110.802 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 51.88 36.93 19.45 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.681 1.192 . . . . 0.0 113.601 177.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 72.6 mt -57.57 128.0 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.421 1.488 . . . . 0.0 110.151 -176.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -107.05 171.92 7.1 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.719 1.608 . . . . 0.0 111.405 174.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -50.47 128.9 21.1 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.399 1.08 . . . . 0.0 112.221 178.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 97.4 -23.6 35.13 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.846 1.213 . . . . 0.0 114.304 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -79.18 152.49 76.51 Favored Pre-proline 0 CA--C 1.546 0.802 0 CA-C-N 118.836 1.318 . . . . 0.0 111.635 171.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -66.05 130.76 25.09 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.169 2.579 . . . . 0.0 111.628 -177.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.33 -7.81 58.48 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 124.295 0.95 . . . . 0.0 114.608 178.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -56.09 -27.75 54.94 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.356 1.578 . . . . 0.0 113.673 174.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.51 163.16 26.56 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -172.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.43 -22.31 31.08 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -56.58 -24.15 45.43 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.791 1.636 . . . . 0.0 114.859 171.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.96 -42.52 2.93 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.173 1.389 . . . . 0.0 111.368 178.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -95.54 89.97 5.57 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.088 0.955 . . . . 0.0 110.392 -171.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -49.02 -31.75 8.12 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.039 1.736 . . . . 0.0 115.177 -177.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -88.34 -13.28 41.11 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.738 1.615 . . . . 0.0 114.035 178.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 32.26 43.01 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 129.457 3.103 . . . . 0.0 115.596 -169.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.7 p30 -73.05 -0.97 15.42 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.156 1.383 . . . . 0.0 114.661 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.87 12.55 66.09 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.171 0.891 . . . . 0.0 113.863 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.6 t -137.06 125.63 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 124.7 1.2 . . . . 0.0 107.825 173.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -115.44 148.14 39.75 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.609 0.718 . . . . 0.0 111.308 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.7 m 48.13 44.13 18.99 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.02 1.728 . . . . 0.0 112.709 -174.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -61.96 153.93 27.93 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 125.629 1.571 . . . . 0.0 114.843 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.6 mt -125.97 28.1 6.19 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.803 1.641 . . . . 0.0 113.028 -177.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.04 28.17 4.8 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 126.396 1.879 . . . . 0.0 113.694 -173.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 59.1 t30 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.921 2.089 . . . . 0.0 113.228 -172.529 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.439 0 N-CA-C 111.329 -0.709 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.87 146.25 49.74 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 117.787 0.794 . . . . 0.0 111.897 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.5 m -70.53 164.74 24.16 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.27 1.028 . . . . 0.0 112.358 173.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -142.61 152.58 42.66 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.972 1.309 . . . . 0.0 112.482 177.047 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -84.8 92.56 8.27 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.382 1.073 . . . . 0.0 110.337 175.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -128.62 73.64 1.51 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.425 1.49 . . . . 0.0 110.312 -176.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.4 mt -69.81 142.01 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.934 1.294 . . . . 0.0 110.571 174.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -142.69 82.58 1.78 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.942 1.297 . . . . 0.0 113.13 -175.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -71.46 134.77 46.8 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.148 -0.97 . . . . 0.0 111.704 173.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.0 t -69.74 -32.17 70.55 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.303 0.641 . . . . 0.0 112.232 171.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.4 p -159.68 161.94 34.98 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.45 1.5 . . . . 0.0 112.353 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.1 m -62.33 -21.44 65.29 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 169.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -60.0 -41.17 91.54 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.994 1.27 . . . . 0.0 111.938 175.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -69.52 -38.98 77.8 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.711 0.804 . . . . 0.0 111.604 175.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.81 77.4 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.823 0.849 . . . . 0.0 112.082 175.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -59.39 -37.65 78.51 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.334 1.054 . . . . 0.0 113.344 175.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.05 -19.11 64.08 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 174.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -101.12 3.91 41.64 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.746 1.618 . . . . 0.0 112.959 173.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.5 6.22 87.71 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.188 1.375 . . . . 0.0 114.987 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -72.7 118.08 15.19 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.583 1.192 . . . . 0.0 109.098 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.4 p -155.57 162.4 40.67 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.624 1.169 . . . . 0.0 112.105 -177.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 48.97 38.89 13.41 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.508 1.523 . . . . 0.0 112.842 -177.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 77.1 mt -57.53 126.01 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 125.86 1.664 . . . . 0.0 110.036 -176.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 46.3 m170 -104.23 170.21 8.04 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.619 1.568 . . . . 0.0 111.647 174.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -49.91 126.95 15.29 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.486 1.115 . . . . 0.0 112.495 177.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.39 -24.91 30.31 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.061 1.315 . . . . 0.0 114.07 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -76.68 153.12 83.34 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 118.741 1.271 . . . . 0.0 111.629 170.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -67.87 130.35 21.6 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.26 2.64 . . . . 0.0 112.065 -176.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.85 -5.75 58.29 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.473 1.035 . . . . 0.0 114.474 177.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -57.21 -26.57 60.91 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.234 1.517 . . . . 0.0 113.284 172.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 82.2 p -65.29 157.48 28.95 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.808 1.643 . . . . 0.0 113.968 -176.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.78 -16.28 26.72 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 172.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -63.06 -24.2 67.8 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.242 1.417 . . . . 0.0 113.305 172.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -114.51 -45.64 3.0 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.931 1.292 . . . . 0.0 111.684 179.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -94.52 92.12 6.94 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.17 0.988 . . . . 0.0 110.587 -173.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -53.86 -31.89 51.18 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -177.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -83.33 -11.39 57.73 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.198 1.799 . . . . 0.0 113.66 177.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 31.96 50.78 0.17 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 128.932 2.893 . . . . 0.0 114.548 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.2 p-10 -88.19 6.69 35.43 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.239 1.415 . . . . 0.0 113.79 -176.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.13 9.74 85.75 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.557 1.075 . . . . 0.0 114.513 -178.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.3 t -136.07 123.24 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.695 1.198 . . . . 0.0 108.645 172.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -114.67 149.7 36.33 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.37 0.605 . . . . 0.0 112.008 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 m 46.12 42.74 10.18 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.058 1.743 . . . . 0.0 112.51 -174.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -54.17 139.31 35.92 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.771 1.629 . . . . 0.0 113.799 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.1 mt -125.11 -29.48 3.31 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.369 1.067 . . . . 0.0 113.848 174.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -72.55 94.84 1.74 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.407 1.083 . . . . 0.0 110.917 177.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 . . . . . 0 C--O 1.255 1.358 0 C-N-CA 125.507 1.523 . . . . 0.0 113.059 -179.31 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.508 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -146.18 149.43 33.93 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.368 1.467 . . . . 0.0 111.006 174.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.1 m -143.89 105.17 4.25 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.933 1.293 . . . . 0.0 110.42 -172.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -134.12 47.11 2.45 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.661 1.585 . . . . 0.0 111.531 -173.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -77.82 31.91 0.17 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.429 1.492 . . . . 0.0 112.886 176.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -58.46 156.47 10.35 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 122.763 1.268 . . . . 0.0 113.262 176.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 90.3 mt -68.79 133.48 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.635 176.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.8 p-80 -135.41 107.97 7.41 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.034 1.734 . . . . 0.0 109.214 -177.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -103.39 137.22 41.79 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.03 0.932 . . . . 0.0 110.127 176.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.1 t -64.98 -33.99 77.36 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.705 0.802 . . . . 0.0 112.653 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.1 t -164.63 157.76 17.2 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.175 1.79 . . . . 0.0 110.833 176.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.3 m -53.19 -25.05 12.45 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.576 1.325 . . . . 0.0 114.576 167.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -57.76 -39.73 78.1 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.674 1.125 . . . . 0.0 112.717 173.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -72.38 -37.02 68.84 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.849 0.86 . . . . 0.0 111.604 175.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.84 -48.77 77.61 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.874 0.869 . . . . 0.0 111.771 177.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -59.17 -33.54 71.06 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.257 -0.902 . . . . 0.0 113.387 175.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.31 -22.67 67.02 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 174.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -100.07 3.5 44.08 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.237 1.815 . . . . 0.0 112.719 174.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.89 5.44 87.87 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 125.027 1.298 . . . . 0.0 114.843 -178.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -75.37 106.09 6.72 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 118.792 1.296 . . . . 0.0 109.629 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.4 p -144.6 161.37 39.31 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.918 1.687 . . . . 0.0 111.209 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 50.07 38.45 16.81 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.952 1.301 . . . . 0.0 113.635 -177.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 72.9 mt -58.6 125.51 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.994 1.318 . . . . 0.0 109.984 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -104.95 172.48 6.76 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.016 1.727 . . . . 0.0 111.871 175.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -52.71 129.51 29.84 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.928 0.891 . . . . 0.0 112.351 178.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 97.97 -23.15 37.27 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.014 1.292 . . . . 0.0 114.236 -178.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -81.43 153.84 71.34 Favored Pre-proline 0 CA--C 1.544 0.737 0 CA-C-N 118.814 1.307 . . . . 0.0 112.081 173.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.87 128.56 20.08 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.313 2.675 . . . . 0.0 111.778 -177.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.21 -8.11 57.06 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 124.156 0.884 . . . . 0.0 114.542 178.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -56.0 -28.42 57.13 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.345 1.572 . . . . 0.0 113.423 173.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.0 t -70.27 160.37 32.34 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.511 1.124 . . . . 0.0 113.321 -175.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.26 -19.27 20.52 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 173.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? -59.4 -24.42 63.45 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 172.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.31 -45.09 3.17 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.198 1.399 . . . . 0.0 111.623 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -96.19 93.64 7.04 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.021 0.929 . . . . 0.0 110.217 -174.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -51.45 -33.37 30.62 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.29 1.436 . . . . 0.0 114.278 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -82.68 -10.58 58.86 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.578 1.951 . . . . 0.0 113.981 177.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.3 t60 30.09 50.63 0.08 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 128.923 2.889 . . . . 0.0 114.498 -172.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.1 p-10 -84.1 7.64 18.08 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.846 1.258 . . . . 0.0 113.715 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.8 14.21 82.61 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.529 1.061 . . . . 0.0 114.3 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.0 t -140.49 127.95 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.479 1.111 . . . . 0.0 108.756 173.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -113.97 142.32 46.3 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.787 0.803 . . . . 0.0 111.391 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.7 m 48.1 42.83 17.69 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 126.535 1.934 . . . . 0.0 113.29 -177.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -52.93 148.27 7.96 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.886 2.074 . . . . 0.0 115.174 178.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.5 mt -122.75 -33.78 3.33 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 176.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -95.66 67.3 2.8 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.12 1.368 . . . . 0.0 110.698 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.1 m120 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 125.9 1.68 . . . . 0.0 113.457 179.896 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 112.304 -0.318 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.02 -27.66 68.28 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -176.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.3 m -121.33 58.92 0.97 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.223 1.809 . . . . 0.0 110.62 -175.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -107.45 97.32 7.08 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.36 1.464 . . . . 0.0 109.916 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -58.64 102.98 0.13 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.905 1.282 . . . . 0.0 112.035 175.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -61.72 116.23 4.62 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.646 0.778 . . . . 0.0 111.205 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.4 mt -77.61 129.87 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.146 0.978 . . . . 0.0 109.526 177.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -130.62 99.2 4.89 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.282 1.433 . . . . 0.0 110.436 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.405 ' HB2' HD11 ' A' ' 57' ' ' LEU . 75.3 m-85 -84.0 142.1 30.72 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.858 0.863 . . . . 0.0 110.617 170.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.6 m -68.6 -28.49 66.97 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.932 0.893 . . . . 0.0 113.184 175.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 t -166.43 155.43 11.05 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.341 1.856 . . . . 0.0 110.816 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.1 m -54.52 -23.79 17.95 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 166.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -60.08 -36.95 78.51 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.418 1.008 . . . . 0.0 112.758 175.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -75.27 -36.7 61.17 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.314 1.046 . . . . 0.0 111.753 173.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.96 -47.8 79.01 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.968 0.907 . . . . 0.0 111.795 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -59.9 -35.51 75.01 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.379 1.072 . . . . 0.0 113.543 176.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.52 -19.96 65.22 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 173.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -101.64 2.87 39.27 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.004 1.721 . . . . 0.0 112.946 173.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.0 7.59 86.96 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.95 1.262 . . . . 0.0 114.942 -178.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -75.82 100.26 4.7 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 118.744 1.272 . . . . 0.0 109.357 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.2 t -142.89 157.81 44.23 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 126.047 1.739 . . . . 0.0 110.936 -177.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 51.58 39.32 24.65 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.665 1.586 . . . . 0.0 112.511 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.8 mt -56.51 121.65 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 125.738 1.615 . . . . 0.0 109.715 -178.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -95.49 172.08 8.29 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.83 1.252 . . . . 0.0 111.933 175.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -59.63 128.0 34.81 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.349 -0.845 . . . . 0.0 111.404 -178.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.25 -21.41 45.71 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.627 1.108 . . . . 0.0 114.344 -176.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.42 154.37 76.6 Favored Pre-proline 0 CA--C 1.548 0.876 0 CA-C-N 118.929 1.365 . . . . 0.0 112.056 173.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -66.22 123.88 11.8 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.328 2.685 . . . . 0.0 111.888 -176.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.22 -8.06 41.16 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.527 1.061 . . . . 0.0 114.421 179.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -56.96 -29.18 62.96 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 119.305 1.553 . . . . 0.0 112.956 173.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.82 155.94 38.2 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.764 1.226 . . . . 0.0 112.978 -177.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.9 -18.46 8.99 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 174.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -57.81 -22.88 49.84 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.975 1.71 . . . . 0.0 114.274 169.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.405 HD11 ' HB2' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -115.86 -45.33 2.88 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.564 1.546 . . . . 0.0 111.636 179.517 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -100.04 91.11 4.64 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.051 0.94 . . . . 0.0 110.29 -172.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -52.24 -32.69 38.1 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.049 1.34 . . . . 0.0 114.294 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -81.44 -12.61 58.85 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.148 1.779 . . . . 0.0 113.856 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 35.28 45.92 0.23 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 128.6 2.76 . . . . 0.0 114.486 -176.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -81.58 4.93 19.63 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.039 1.336 . . . . 0.0 113.73 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.92 10.62 83.79 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.671 1.129 . . . . 0.0 114.391 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 t -137.79 125.4 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.655 1.182 . . . . 0.0 108.668 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -111.51 141.18 45.42 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.639 0.733 . . . . 0.0 111.268 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.4 m 49.77 42.0 23.07 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 126.36 1.864 . . . . 0.0 113.567 -177.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -52.12 141.13 19.21 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 126.638 1.975 . . . . 0.0 114.71 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.6 mt -117.9 -33.99 4.31 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 175.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -59.72 106.79 0.52 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.646 1.178 . . . . 0.0 111.631 174.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.4 t30 . . . . . 0 C--O 1.253 1.269 0 C-N-CA 125.473 1.509 . . . . 0.0 112.441 177.151 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.529 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -154.92 162.83 40.97 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.942 1.297 . . . . 0.0 111.976 177.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.5 t -68.11 138.25 55.58 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.115 0.966 . . . . 0.0 111.511 171.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -68.62 128.02 35.13 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.355 1.062 . . . . 0.0 112.153 175.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -87.58 -25.87 23.39 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.718 0.807 . . . . 0.0 112.955 177.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -70.87 119.62 15.27 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.003 0.921 . . . . 0.0 112.298 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.9 mt -74.59 135.0 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.72 1.208 . . . . 0.0 110.153 177.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.4 p-80 -138.74 86.47 2.15 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.63 1.572 . . . . 0.0 111.187 -173.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.411 ' HB2' HD11 ' A' ' 57' ' ' LEU . 64.5 m-85 -77.84 131.8 37.71 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.558 -0.714 . . . . 0.0 111.202 175.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -67.53 -32.98 74.13 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.691 0.796 . . . . 0.0 112.476 174.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.1 t -159.2 151.15 20.81 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.931 1.693 . . . . 0.0 110.934 177.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.1 m -53.62 -24.0 12.73 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 166.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -58.03 -38.37 76.09 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 120.134 1.334 . . . . 0.0 112.925 174.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -75.08 -34.63 61.8 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.795 0.838 . . . . 0.0 111.95 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.74 -48.39 69.29 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.813 0.845 . . . . 0.0 111.65 175.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -57.58 -38.02 74.16 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.65 1.18 . . . . 0.0 113.246 176.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.67 -25.04 67.94 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 175.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -93.23 0.53 57.11 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.513 1.525 . . . . 0.0 113.245 173.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.53 12.22 73.04 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.81 1.195 . . . . 0.0 114.75 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -78.47 101.3 7.25 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.659 1.229 . . . . 0.0 109.238 178.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.6 p -136.97 165.46 25.94 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.589 1.555 . . . . 0.0 111.345 176.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 50.84 36.56 14.94 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.124 1.369 . . . . 0.0 113.637 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 80.9 mt -56.71 123.11 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.652 1.181 . . . . 0.0 110.41 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -102.62 174.11 6.04 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.839 1.656 . . . . 0.0 111.65 174.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -52.97 130.12 32.67 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.769 0.827 . . . . 0.0 112.018 177.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.28 -22.19 41.24 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.974 1.273 . . . . 0.0 114.46 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.96 154.26 80.32 Favored Pre-proline 0 CA--C 1.547 0.855 0 CA-C-N 118.742 1.271 . . . . 0.0 111.621 170.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -67.13 128.54 18.75 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 123.381 2.721 . . . . 0.0 111.726 -177.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.27 -7.43 58.39 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-O 119.032 -0.871 . . . . 0.0 114.472 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -55.71 -29.02 58.76 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.447 1.623 . . . . 0.0 113.248 171.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.1 m -65.37 154.0 39.61 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.371 1.468 . . . . 0.0 113.167 -178.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.78 -19.64 18.09 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 174.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -55.98 -25.49 44.15 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.273 1.829 . . . . 0.0 114.109 170.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' A' ' 32' ' ' PHE . 1.2 mm? -114.11 -41.53 3.5 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.485 1.514 . . . . 0.0 112.04 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -104.03 93.79 5.05 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.333 1.053 . . . . 0.0 109.89 -174.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -55.4 -37.41 67.57 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.157 1.383 . . . . 0.0 112.988 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -72.02 -13.65 61.66 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.748 1.219 . . . . 0.0 114.168 173.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 33.34 47.95 0.15 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 128.781 2.832 . . . . 0.0 114.256 -175.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.6 p-10 -84.36 9.71 12.49 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.785 1.234 . . . . 0.0 113.657 -177.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.85 13.77 82.78 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.585 1.088 . . . . 0.0 113.994 -177.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.2 t -138.58 122.21 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.554 1.142 . . . . 0.0 108.606 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -109.34 145.57 35.81 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.824 0.821 . . . . 0.0 110.94 176.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.7 m 49.21 46.01 23.05 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 126.095 1.758 . . . . 0.0 113.374 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -60.18 145.93 45.28 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 125.401 1.48 . . . . 0.0 114.32 176.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.3 mt -128.4 21.77 6.09 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 125.917 1.687 . . . . 0.0 113.347 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 pptp? -126.08 18.12 7.79 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.394 1.478 . . . . 0.0 114.725 -173.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 56.5 t30 . . . . . 0 C--O 1.254 1.313 0 C-N-CA 126.341 1.856 . . . . 0.0 112.896 173.921 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.326 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.1 157.04 42.88 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.83 1.652 . . . . 0.0 110.954 176.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.3 m -64.3 167.73 6.44 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.323 1.049 . . . . 0.0 112.269 174.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -107.45 118.07 35.76 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.194 0.997 . . . . 0.0 109.962 174.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -135.78 23.48 3.36 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.558 1.143 . . . . 0.0 113.059 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -89.03 137.33 32.41 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.348 1.459 . . . . 0.0 111.511 176.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.7 mt -82.11 139.42 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.586 1.154 . . . . 0.0 110.431 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -137.4 91.2 2.58 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.316 1.446 . . . . 0.0 110.727 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -73.65 140.65 46.27 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.547 0.739 . . . . 0.0 111.236 168.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.8 m -79.08 -21.74 46.28 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 175.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m -167.3 152.53 7.33 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.707 2.003 . . . . 0.0 110.633 177.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.5 m -56.19 -24.26 40.58 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.128 1.159 . . . . 0.0 114.128 168.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -52.59 -42.11 64.23 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.039 1.336 . . . . 0.0 113.042 171.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -76.33 -35.72 58.62 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.336 1.055 . . . . 0.0 112.051 177.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.48 -47.83 77.5 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.808 0.843 . . . . 0.0 111.89 174.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -59.49 -36.77 76.68 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.873 1.269 . . . . 0.0 113.098 175.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.73 -20.56 65.04 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 174.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -101.28 3.26 40.61 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.869 1.667 . . . . 0.0 112.947 173.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.56 14.3 78.46 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.874 1.226 . . . . 0.0 114.995 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -78.84 106.86 11.15 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.701 1.251 . . . . 0.0 108.979 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.8 p -147.92 160.13 43.13 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.333 1.453 . . . . 0.0 111.676 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 t0 48.3 42.91 18.68 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.634 1.174 . . . . 0.0 112.521 -171.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 81.8 mt -58.54 119.15 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.739 1.216 . . . . 0.0 109.247 177.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 42.8 m170 -99.2 175.15 5.99 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.105 1.362 . . . . 0.0 110.926 172.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -48.32 137.03 11.6 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.777 0.831 . . . . 0.0 113.012 173.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.6 -24.78 8.05 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 124.846 1.212 . . . . 0.0 115.05 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -74.22 152.54 88.21 Favored Pre-proline 0 CA--C 1.547 0.828 0 CA-C-N 119.36 1.58 . . . . 0.0 111.455 169.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -67.21 132.33 27.48 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.111 2.541 . . . . 0.0 111.567 -178.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 97.81 -6.73 62.64 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 124.134 0.874 . . . . 0.0 114.945 177.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -57.54 -26.73 61.83 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 119.406 1.603 . . . . 0.0 112.843 172.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.3 m -64.9 155.07 35.47 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.948 1.699 . . . . 0.0 113.503 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.16 -19.55 21.07 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.427 1.091 . . . . 0.0 113.811 172.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -58.98 -22.61 60.68 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.792 1.637 . . . . 0.0 113.863 171.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -117.91 -41.3 2.91 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.543 1.537 . . . . 0.0 112.235 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -103.91 92.1 4.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.39 1.076 . . . . 0.0 109.985 -173.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -55.97 -36.59 68.01 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.145 1.778 . . . . 0.0 113.454 -176.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -73.4 -13.22 61.04 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.608 1.563 . . . . 0.0 114.505 172.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.1 t60 30.16 50.98 0.09 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 129.281 3.032 . . . . 0.0 114.895 -174.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -85.97 5.59 32.54 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.326 1.45 . . . . 0.0 113.882 -177.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.62 8.76 85.64 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.657 1.122 . . . . 0.0 114.508 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.0 t -136.01 117.21 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.72 1.208 . . . . 0.0 108.432 174.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -106.1 148.52 27.72 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.429 0.633 . . . . 0.0 111.488 177.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.5 m 46.14 45.25 12.6 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.93 1.692 . . . . 0.0 113.254 -175.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -55.5 144.61 25.44 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.11 1.364 . . . . 0.0 114.15 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.1 mt -128.49 -34.55 2.02 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -79.61 104.3 10.11 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.923 0.889 . . . . 0.0 109.504 177.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 35.2 m120 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 124.952 1.301 . . . . 0.0 112.739 176.567 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.542 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.38 171.47 11.15 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.13 0.972 . . . . 0.0 112.44 175.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 m -66.95 -14.46 62.85 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -142.76 167.37 22.24 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.259 1.823 . . . . 0.0 111.131 173.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -123.82 14.95 9.35 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.588 1.155 . . . . 0.0 112.696 -174.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -66.36 149.93 49.64 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.636 1.174 . . . . 0.0 111.34 173.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.9 mt -110.74 140.45 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.987 1.315 . . . . 0.0 109.951 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -137.83 66.04 1.46 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.105 1.762 . . . . 0.0 111.828 -170.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -58.28 145.6 37.16 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 121.441 -0.787 . . . . 0.0 111.582 167.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.1 t -71.41 -44.43 64.93 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.589 0.355 . . . . 0.0 111.94 175.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.6 m -155.87 159.54 39.41 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.57 1.948 . . . . 0.0 110.92 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.5 m -55.9 -23.35 30.89 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 171.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.23 -38.5 80.15 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.968 0.907 . . . . 0.0 112.299 174.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -73.8 -36.62 65.04 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.633 1.173 . . . . 0.0 112.161 172.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.9 -48.92 78.29 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.45 -0.781 . . . . 0.0 112.032 175.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -60.47 -34.25 73.76 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.241 -0.912 . . . . 0.0 113.191 175.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.22 -19.13 65.14 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 173.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -102.73 4.17 37.75 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.147 1.779 . . . . 0.0 112.803 173.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.63 12.59 84.35 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.785 1.183 . . . . 0.0 114.93 -178.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -79.5 108.16 12.82 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.682 1.241 . . . . 0.0 109.047 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.8 p -148.48 160.84 42.67 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.536 1.535 . . . . 0.0 111.71 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.1 t0 45.78 43.81 10.14 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.636 1.175 . . . . 0.0 112.618 -174.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.75 130.64 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 121.209 -0.932 . . . . 0.0 110.194 -177.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -107.96 171.41 7.41 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.225 1.41 . . . . 0.0 111.538 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -54.0 124.57 15.92 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.174 0.989 . . . . 0.0 111.733 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.52 -24.5 31.39 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.162 1.363 . . . . 0.0 114.004 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.3 152.36 76.07 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-N 118.627 1.213 . . . . 0.0 111.628 172.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.41 127.08 15.12 Favored 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 123.282 2.655 . . . . 0.0 111.869 -174.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.83 -9.13 47.21 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.454 1.026 . . . . 0.0 114.59 178.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -53.29 -29.63 34.32 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.432 1.616 . . . . 0.0 113.83 173.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 t -73.86 162.45 29.09 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.402 1.081 . . . . 0.0 113.606 -171.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.96 -21.39 44.07 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.825 1.25 . . . . 0.0 114.053 176.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -59.17 -21.55 59.59 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.577 1.551 . . . . 0.0 114.603 172.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.7 -50.66 2.51 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.441 1.497 . . . . 0.0 110.899 178.299 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -86.49 95.64 9.78 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.561 0.744 . . . . 0.0 110.774 -175.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.8 mmm-85 -53.61 -43.78 68.94 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.497 1.119 . . . . 0.0 112.634 -175.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -74.34 -13.43 60.74 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 114.822 1.415 . . . . 0.0 114.822 176.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.0 t60 31.36 50.89 0.13 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 128.925 2.89 . . . . 0.0 115.523 -174.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.1 p30 -81.43 4.39 21.17 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.029 1.332 . . . . 0.0 114.455 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.97 12.29 71.58 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.34 0.971 . . . . 0.0 114.258 -178.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.2 t -137.64 126.09 32.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 124.579 1.152 . . . . 0.0 108.621 172.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -112.15 143.82 42.56 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.586 0.708 . . . . 0.0 111.633 178.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.2 m 46.25 43.46 11.37 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.078 1.751 . . . . 0.0 112.494 -174.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -52.42 140.49 22.14 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.266 1.826 . . . . 0.0 113.328 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.4 tp -142.41 -21.59 0.68 Allowed 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.712 1.005 . . . . 0.0 113.712 -169.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -64.43 125.31 24.22 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.801 0.841 . . . . 0.0 110.404 166.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 126.327 1.851 . . . . 0.0 111.61 179.191 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -144.14 140.75 29.57 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.287 1.435 . . . . 0.0 110.999 175.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.4 m -142.97 118.59 10.42 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.222 1.409 . . . . 0.0 110.662 178.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -161.48 168.5 23.57 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.45 1.9 . . . . 0.0 110.788 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -136.06 59.59 1.7 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.224 1.41 . . . . 0.0 111.573 -176.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.3 p-10 -60.06 164.22 4.19 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.412 1.085 . . . . 0.0 112.941 173.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 86.0 mt -91.99 132.71 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.094 0.958 . . . . 0.0 109.189 175.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -128.35 103.88 7.4 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.975 1.71 . . . . 0.0 109.858 -179.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.515 ' HB2' HD11 ' A' ' 57' ' ' LEU . 56.9 m-85 -95.8 131.17 42.39 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.408 0.683 . . . . 0.0 110.226 174.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.9 t -67.57 -30.83 70.56 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.573 0.749 . . . . 0.0 112.474 176.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.1 p -159.75 156.64 27.98 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.525 1.53 . . . . 0.0 112.203 173.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.1 m -57.15 -25.39 58.83 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 169.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -57.73 -39.89 78.35 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.21 1.004 . . . . 0.0 112.499 176.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -72.58 -37.89 68.06 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.977 0.911 . . . . 0.0 111.982 175.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.64 -47.56 83.2 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.731 0.812 . . . . 0.0 111.919 175.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -58.1 -35.47 71.48 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 176.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.67 -24.67 67.88 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 175.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -95.96 -0.28 50.89 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.402 1.881 . . . . 0.0 112.951 174.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.45 9.64 75.32 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.95 1.262 . . . . 0.0 114.758 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -77.51 92.33 4.01 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.922 1.361 . . . . 0.0 109.625 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 m -128.99 159.73 34.97 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.928 1.691 . . . . 0.0 110.23 178.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 53.21 36.67 23.15 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.401 1.08 . . . . 0.0 113.758 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.9 mt -56.7 127.3 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.894 1.277 . . . . 0.0 110.133 -178.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -106.21 173.27 6.39 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.475 1.51 . . . . 0.0 111.77 175.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -50.69 132.87 26.21 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.766 0.827 . . . . 0.0 112.807 175.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.74 -20.76 36.89 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 124.739 1.161 . . . . 0.0 114.776 -176.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -81.64 154.94 71.22 Favored Pre-proline 0 CA--C 1.546 0.798 0 CA-C-N 119.486 1.643 . . . . 0.0 112.366 174.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -65.9 125.22 13.83 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.388 2.725 . . . . 0.0 111.912 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.42 -7.58 56.31 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 124.154 0.883 . . . . 0.0 114.453 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -56.38 -28.23 58.6 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 119.453 1.626 . . . . 0.0 113.111 172.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.62 153.73 43.23 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.624 1.169 . . . . 0.0 112.4 -178.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.05 -20.23 9.05 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 176.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -56.72 -25.55 54.74 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 127.275 2.23 . . . . 0.0 113.912 172.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' A' ' 32' ' ' PHE . 1.0 OUTLIER -111.42 -42.66 3.84 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.812 1.645 . . . . 0.0 112.047 177.692 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -99.87 95.22 6.75 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.435 1.094 . . . . 0.0 110.223 -174.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -46.98 -44.97 20.62 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.179 1.392 . . . . 0.0 113.447 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -78.42 -9.45 59.3 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.849 1.66 . . . . 0.0 113.984 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 36.89 42.74 0.25 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 128.587 2.755 . . . . 0.0 114.605 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -81.45 12.74 3.44 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.906 1.682 . . . . 0.0 114.004 -177.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.74 13.7 83.28 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.657 1.122 . . . . 0.0 113.947 -176.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.7 t -140.09 127.19 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 118.351 1.075 . . . . 0.0 109.244 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -114.78 141.48 47.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.88 0.848 . . . . 0.0 111.062 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.8 m 51.44 45.21 28.34 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 126.034 1.733 . . . . 0.0 113.101 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 pm0 -65.98 147.92 52.61 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 125.831 1.652 . . . . 0.0 115.192 178.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.2 mp -117.77 -33.63 4.46 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 125.531 1.532 . . . . 0.0 113.892 177.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -66.31 -41.0 90.33 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 125.597 1.559 . . . . 0.0 111.775 -175.527 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.539 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.47 56.97 1.86 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.513 1.525 . . . . 0.0 113.469 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.2 p -60.67 152.66 25.95 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.147 -0.971 . . . . 0.0 112.593 173.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -72.0 129.34 38.3 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.433 -0.792 . . . . 0.0 111.377 172.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -137.35 63.55 1.55 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.694 1.197 . . . . 0.0 111.413 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 59.1 27.31 16.23 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.711 1.604 . . . . 0.0 114.178 176.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 90.1 mt -60.18 137.75 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.137 1.375 . . . . 0.0 110.572 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.5 p-80 -140.81 106.78 5.17 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.743 1.617 . . . . 0.0 109.948 -176.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.442 ' HB2' HD11 ' A' ' 57' ' ' LEU . 70.6 m-85 -96.3 134.24 39.66 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.827 0.851 . . . . 0.0 110.511 176.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.0 m -63.19 -29.73 71.01 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.137 0.975 . . . . 0.0 113.048 175.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.6 t -164.46 153.6 13.37 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.326 1.851 . . . . 0.0 110.798 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.1 m -54.12 -23.0 12.44 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 167.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -58.94 -41.39 87.26 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.642 1.11 . . . . 0.0 111.912 174.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -72.6 -35.02 67.79 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.915 0.886 . . . . 0.0 112.07 175.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.39 -48.1 81.23 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.432 -0.792 . . . . 0.0 111.582 175.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 12.7 m0 -61.14 -33.9 74.14 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 176.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.06 -19.81 64.74 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 172.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -102.28 3.65 38.36 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.125 1.77 . . . . 0.0 112.943 173.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.06 11.76 83.31 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.805 1.193 . . . . 0.0 114.911 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -79.37 98.09 6.59 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.733 1.266 . . . . 0.0 109.566 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.7 p -138.39 160.11 40.35 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.972 1.709 . . . . 0.0 111.511 177.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.8 t0 47.83 43.19 16.97 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.812 1.245 . . . . 0.0 113.145 -175.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 90.4 mt -61.23 124.77 16.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 124.014 0.926 . . . . 0.0 110.129 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 47.1 m170 -99.22 172.49 7.33 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.795 1.638 . . . . 0.0 111.819 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -50.21 134.95 22.01 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.012 0.925 . . . . 0.0 112.807 173.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.39 -11.27 63.93 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.571 1.081 . . . . 0.0 115.408 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.16 152.73 46.31 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 119.239 1.519 . . . . 0.0 111.743 170.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -65.21 124.23 12.68 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.556 2.837 . . . . 0.0 111.916 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.29 -8.45 44.71 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.248 0.928 . . . . 0.0 114.549 178.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -54.61 -28.44 46.53 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.512 1.656 . . . . 0.0 113.499 173.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 t -66.48 159.51 27.03 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.982 1.313 . . . . 0.0 113.838 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.49 -22.13 19.56 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.684 1.193 . . . . 0.0 114.011 172.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -61.06 -17.17 50.95 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.681 1.992 . . . . 0.0 114.456 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.442 HD11 ' HB2' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -117.52 -46.12 2.68 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.752 1.621 . . . . 0.0 111.782 178.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -96.14 98.89 10.69 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.288 1.035 . . . . 0.0 110.619 -176.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -52.77 -33.09 46.96 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.332 1.453 . . . . 0.0 114.817 -175.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -88.72 -4.35 58.55 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.653 1.981 . . . . 0.0 113.838 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.7 t60 30.96 55.78 0.22 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 129.132 2.973 . . . . 0.0 114.955 -176.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -93.85 19.55 8.76 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -177.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.43 18.38 79.2 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.406 1.003 . . . . 0.0 114.637 176.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.9 t -143.33 152.34 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 126.939 2.095 . . . . 0.0 107.238 174.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -135.14 143.28 46.44 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.852 0.751 . . . . 0.0 112.028 175.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.8 m 46.86 45.08 15.0 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.026 1.731 . . . . 0.0 112.587 -175.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.52 138.31 56.83 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.075 1.35 . . . . 0.0 113.677 -177.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -139.3 38.01 2.09 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 123.038 1.399 . . . . 0.0 110.535 -174.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -91.56 66.5 5.37 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.536 1.934 . . . . 0.0 110.817 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.8 m120 . . . . . 0 C--O 1.254 1.3 0 C-N-CA 126.877 2.071 . . . . 0.0 113.085 -176.126 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.81 132.9 52.34 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.041 0.937 . . . . 0.0 112.931 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.3 m -150.12 171.23 17.22 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 126.395 1.878 . . . . 0.0 111.493 -177.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -137.09 56.48 1.79 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.287 1.435 . . . . 0.0 112.558 -173.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.38 14.09 0.1 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 126.915 2.086 . . . . 0.0 115.448 177.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -72.2 35.92 0.07 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 127.985 2.514 . . . . 0.0 115.693 -175.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 87.7 mt -57.31 137.21 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.288 1.435 . . . . 0.0 111.484 177.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -137.61 111.29 8.15 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.687 1.595 . . . . 0.0 110.4 175.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -97.4 139.14 33.79 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.534 1.134 . . . . 0.0 110.768 172.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.7 m -70.6 -27.32 64.0 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 173.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.5 t -163.76 154.09 15.41 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.671 1.588 . . . . 0.0 111.628 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.9 m -55.38 -23.04 22.38 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 165.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -56.59 -39.9 74.33 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.592 1.087 . . . . 0.0 113.005 173.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -78.11 -33.58 50.52 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.923 0.889 . . . . 0.0 112.221 175.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.11 -48.21 76.99 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.63 0.772 . . . . 0.0 112.074 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 9.9 m0 -59.27 -35.21 73.32 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.313 1.045 . . . . 0.0 113.392 176.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.91 -21.71 66.59 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 174.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -98.23 4.35 48.86 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.035 1.734 . . . . 0.0 112.839 172.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.27 4.07 90.33 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.285 1.422 . . . . 0.0 114.936 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -70.5 110.61 5.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.922 1.361 . . . . 0.0 109.65 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.0 p -150.91 160.43 43.91 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.607 1.563 . . . . 0.0 111.3 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 49.59 36.78 11.09 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.152 1.381 . . . . 0.0 113.541 -177.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.415 HG23 ' CB ' ' A' ' 50' ' ' GLU . 69.6 mt -56.29 126.4 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.115 1.366 . . . . 0.0 109.97 -178.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -103.38 173.4 6.32 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.378 1.471 . . . . 0.0 112.086 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -48.51 134.13 15.76 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.045 0.938 . . . . 0.0 112.854 174.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.34 -20.88 31.51 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 124.808 1.194 . . . . 0.0 115.121 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.415 ' CB ' HG23 ' A' ' 46' ' ' ILE . 23.8 mt-10 -78.5 155.34 78.85 Favored Pre-proline 0 CA--C 1.546 0.798 0 CA-C-N 119.697 1.749 . . . . 0.0 112.642 171.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -65.34 124.92 13.62 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.363 2.709 . . . . 0.0 111.758 177.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.95 -6.98 52.2 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.479 1.037 . . . . 0.0 114.713 177.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -57.15 -27.16 61.62 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 119.404 1.602 . . . . 0.0 113.3 172.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.1 m -66.96 156.2 36.52 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.156 1.382 . . . . 0.0 113.738 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.77 -21.61 11.6 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.969 1.308 . . . . 0.0 114.317 172.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -59.69 -23.83 63.43 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.474 1.509 . . . . 0.0 114.047 173.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.19 -45.85 3.25 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.512 1.525 . . . . 0.0 111.309 177.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -94.81 93.5 7.52 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.042 0.937 . . . . 0.0 111.14 -172.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.83 -31.95 7.96 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 125.726 1.611 . . . . 0.0 114.891 -179.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -92.11 -8.47 45.67 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.952 1.701 . . . . 0.0 114.091 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 31.36 48.36 0.08 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 128.899 2.88 . . . . 0.0 115.008 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -83.68 8.04 15.67 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.811 1.244 . . . . 0.0 114.129 -178.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.85 12.65 82.47 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.61 1.1 . . . . 0.0 114.138 -177.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.9 t -139.09 130.17 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 124.419 1.088 . . . . 0.0 109.155 173.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -120.06 144.42 47.59 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.804 0.811 . . . . 0.0 111.534 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.4 m 50.13 37.93 15.76 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 126.318 1.847 . . . . 0.0 113.067 -174.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -55.17 149.28 12.65 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 126.016 1.726 . . . . 0.0 115.082 175.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.7 mp -118.32 -42.14 2.8 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.68 1.192 . . . . 0.0 113.25 172.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 114.55 2.86 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.478 1.111 . . . . 0.0 111.599 175.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.4 p30 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 124.713 1.205 . . . . 0.0 113.322 -179.5 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.71 145.03 42.06 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.881 1.272 . . . . 0.0 111.358 178.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 p -74.92 -47.88 27.44 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.314 1.046 . . . . 0.0 113.221 -177.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 42.79 37.88 1.19 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.763 2.025 . . . . 0.0 113.979 -174.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -111.46 88.49 2.81 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.941 1.296 . . . . 0.0 110.142 -174.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -145.75 146.87 31.39 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.564 0.746 . . . . 0.0 111.846 177.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.9 mt -73.4 133.68 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.512 1.125 . . . . 0.0 110.541 -178.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -134.78 93.09 2.98 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.185 1.394 . . . . 0.0 111.175 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -77.63 134.53 38.17 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.925 0.89 . . . . 0.0 110.716 170.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.7 m -70.44 -34.1 72.09 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 175.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.7 m -155.62 151.58 27.68 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.378 1.871 . . . . 0.0 111.182 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.6 m -56.66 -24.35 48.02 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 170.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -52.94 -40.51 63.7 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.436 1.094 . . . . 0.0 113.226 170.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -74.46 -36.1 63.33 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.544 0.738 . . . . 0.0 111.68 177.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.29 -47.27 71.15 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.246 1.019 . . . . 0.0 112.009 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.2 m0 -58.45 -37.83 76.24 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.703 1.201 . . . . 0.0 112.976 175.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.87 -22.74 67.06 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 174.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -95.6 1.36 53.67 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.676 1.591 . . . . 0.0 113.183 172.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.98 13.38 79.5 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.805 1.193 . . . . 0.0 114.789 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -80.48 98.77 7.71 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.547 1.174 . . . . 0.0 109.17 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.0 p -140.83 159.43 42.22 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.98 1.712 . . . . 0.0 111.305 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 t0 47.8 44.39 17.9 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.623 1.169 . . . . 0.0 112.741 -172.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.2 mt -57.97 127.81 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.557 1.143 . . . . 0.0 108.98 176.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 67.4 m170 -108.64 174.66 5.77 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.473 1.509 . . . . 0.0 111.054 174.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -49.31 133.73 19.25 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.563 0.745 . . . . 0.0 112.937 175.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.65 -22.94 18.49 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.597 1.094 . . . . 0.0 114.729 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -77.11 153.6 82.46 Favored Pre-proline 0 CA--C 1.548 0.877 0 CA-C-N 119.583 1.692 . . . . 0.0 111.598 170.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -66.91 132.37 28.13 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.219 2.612 . . . . 0.0 111.769 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.23 -5.66 65.64 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 124.265 0.936 . . . . 0.0 114.658 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -58.0 -26.0 61.81 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.455 1.627 . . . . 0.0 113.228 172.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.2 t -65.54 156.71 31.76 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.522 1.129 . . . . 0.0 112.858 -178.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.65 -20.53 14.27 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 171.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.8 mttm -60.44 -23.0 64.07 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.781 1.632 . . . . 0.0 114.5 173.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -114.38 -42.59 3.29 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.319 1.448 . . . . 0.0 111.385 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -98.4 93.06 5.98 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.446 1.098 . . . . 0.0 110.479 -173.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -48.22 -32.86 7.69 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 126.075 1.75 . . . . 0.0 114.901 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -90.74 -10.24 43.69 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.881 1.672 . . . . 0.0 114.104 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.4 t60 30.14 48.76 0.06 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 129.078 2.951 . . . . 0.0 114.927 -172.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -79.84 7.85 7.93 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.977 1.311 . . . . 0.0 114.177 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.41 9.48 84.84 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.703 1.144 . . . . 0.0 114.147 -177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.3 t -135.77 126.13 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.452 1.101 . . . . 0.0 109.133 175.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.69 146.88 43.42 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.572 0.701 . . . . 0.0 111.199 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.8 m 46.41 43.55 11.98 Favored 'General case' 0 CA--C 1.554 1.135 0 C-N-CA 125.995 1.718 . . . . 0.0 112.897 -173.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -57.07 138.39 54.5 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.264 1.425 . . . . 0.0 114.327 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.9 mt -123.45 -39.89 2.41 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.922 1.289 . . . . 0.0 113.55 175.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -66.65 -35.76 80.95 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.953 0.901 . . . . 0.0 113.152 -171.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 . . . . . 0 C--O 1.255 1.373 0 C-N-CA 128.798 2.839 . . . . 0.0 113.849 -179.278 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -151.94 175.47 12.46 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.207 1.403 . . . . 0.0 111.549 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.9 m -119.92 92.94 3.9 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.667 1.587 . . . . 0.0 109.917 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -118.94 61.49 0.8 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.622 1.569 . . . . 0.0 111.28 -171.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.26 37.99 20.15 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.575 1.55 . . . . 0.0 112.97 -174.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -50.04 122.14 6.33 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.52 1.528 . . . . 0.0 112.644 177.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.4 mt -71.69 131.78 34.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 124.375 1.07 . . . . 0.0 110.156 177.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -129.15 104.19 7.4 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.873 1.669 . . . . 0.0 109.914 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.474 ' HB2' HD11 ' A' ' 57' ' ' LEU . 65.0 m-85 -90.91 134.78 34.2 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.803 0.841 . . . . 0.0 110.538 171.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.6 m -65.44 -30.2 70.97 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.614 0.765 . . . . 0.0 112.843 174.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.5 p -165.49 159.95 17.34 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.662 1.585 . . . . 0.0 112.2 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.2 m -58.72 -22.22 56.95 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 168.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -61.05 -39.87 91.46 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.593 1.088 . . . . 0.0 111.479 175.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -72.42 -34.97 68.23 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.875 0.87 . . . . 0.0 111.934 175.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.6 -47.65 77.86 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.85 0.86 . . . . 0.0 111.988 177.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -59.67 -34.27 72.64 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.118 -0.989 . . . . 0.0 113.558 176.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.03 -22.4 66.91 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 174.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -97.38 2.3 50.35 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.947 1.699 . . . . 0.0 112.839 173.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.47 13.12 82.19 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.739 1.161 . . . . 0.0 114.638 -177.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -80.76 110.72 16.54 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 118.779 1.29 . . . . 0.0 109.714 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 p -151.63 158.74 43.88 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.471 1.509 . . . . 0.0 112.106 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 48.55 39.38 13.02 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.237 1.415 . . . . 0.0 113.518 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.539 HG23 ' HB3' ' A' ' 50' ' ' GLU . 74.4 mt -57.57 125.74 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.991 1.316 . . . . 0.0 110.288 -177.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -99.47 175.35 5.88 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.79 1.636 . . . . 0.0 111.937 175.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -51.18 138.9 19.49 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.271 -0.893 . . . . 0.0 113.022 173.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.41 -20.38 14.35 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 124.799 1.19 . . . . 0.0 114.944 -178.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.539 ' HB3' HG23 ' A' ' 46' ' ' ILE . 11.2 mt-10 -79.59 154.69 76.27 Favored Pre-proline 0 CA--C 1.547 0.832 0 CA-C-N 119.227 1.514 . . . . 0.0 112.305 172.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.11 124.99 12.89 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.427 2.752 . . . . 0.0 111.813 -178.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.58 -5.63 54.68 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 124.102 0.858 . . . . 0.0 114.714 177.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -56.6 -28.33 60.1 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.212 1.506 . . . . 0.0 113.258 171.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.1 m -66.46 154.6 39.83 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.386 1.474 . . . . 0.0 113.483 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.94 -20.63 16.83 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.836 1.254 . . . . 0.0 114.348 174.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -23.96 19.21 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.601 1.961 . . . . 0.0 114.162 169.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' A' ' 32' ' ' PHE . 1.0 OUTLIER -116.28 -48.03 2.73 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.565 1.546 . . . . 0.0 111.956 -179.559 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -93.77 95.5 9.18 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.114 0.965 . . . . 0.0 110.204 -175.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 -50.98 -33.56 25.27 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.477 1.511 . . . . 0.0 114.431 -177.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -85.04 -9.04 58.42 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.871 2.068 . . . . 0.0 113.887 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.0 t60 29.65 52.52 0.1 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 129.037 2.935 . . . . 0.0 114.788 -173.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -87.11 9.38 20.04 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.897 1.279 . . . . 0.0 113.654 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.51 13.45 82.56 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.619 1.104 . . . . 0.0 114.413 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.6 t -140.87 123.58 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 118.512 1.156 . . . . 0.0 109.641 176.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -110.69 140.65 44.87 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 121.776 0.798 . . . . 0.0 111.799 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m 50.36 44.58 26.65 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.951 2.1 . . . . 0.0 113.749 -177.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.58 154.57 32.26 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 127.144 2.178 . . . . 0.0 115.263 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.9 mp -116.65 -33.5 4.83 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -59.16 121.87 12.4 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.148 0.885 . . . . 0.0 110.631 172.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 65.2 t30 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.074 1.75 . . . . 0.0 112.812 177.699 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.424 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.71 172.09 8.08 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.107 0.963 . . . . 0.0 112.811 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.9 p -104.77 159.22 15.95 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.448 1.499 . . . . 0.0 111.963 174.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -148.16 159.6 43.78 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.851 1.26 . . . . 0.0 112.071 176.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.57 20.22 2.54 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.487 1.515 . . . . 0.0 112.579 -176.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -123.32 146.76 47.66 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.779 1.632 . . . . 0.0 110.412 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.79 146.58 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.142 0.977 . . . . 0.0 110.847 177.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -143.53 96.8 2.97 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.396 1.479 . . . . 0.0 111.361 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -86.16 135.12 33.71 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.387 -0.821 . . . . 0.0 110.991 174.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.9 t -67.34 -32.79 73.98 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.408 0.683 . . . . 0.0 112.324 173.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.1 t -160.23 155.58 25.13 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.733 1.613 . . . . 0.0 111.363 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.2 m -55.17 -23.26 20.79 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 168.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -54.68 -41.4 70.16 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.668 1.122 . . . . 0.0 112.839 171.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -74.27 -35.61 63.79 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.426 1.09 . . . . 0.0 112.094 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.89 -49.62 67.41 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.885 0.874 . . . . 0.0 111.945 175.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -59.24 -35.85 74.41 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.597 1.159 . . . . 0.0 113.279 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.46 -22.04 65.92 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 173.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -100.35 4.59 44.07 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.021 1.728 . . . . 0.0 112.973 173.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.96 13.17 82.54 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.807 1.194 . . . . 0.0 114.834 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -80.07 98.08 7.1 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.707 1.253 . . . . 0.0 109.382 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.1 p -137.45 159.56 41.6 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.951 1.7 . . . . 0.0 111.553 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.9 t70 47.43 47.02 17.35 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.523 1.129 . . . . 0.0 112.945 -172.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.4 mt -61.96 116.71 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 O-C-N 120.98 -1.075 . . . . 0.0 109.414 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -94.93 174.86 6.88 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.513 1.525 . . . . 0.0 111.971 172.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -48.25 133.8 15.23 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.226 1.01 . . . . 0.0 113.046 173.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.5 -22.41 24.18 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.014 1.292 . . . . 0.0 115.163 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -78.5 153.79 78.86 Favored Pre-proline 0 CA--C 1.548 0.896 0 CA-C-N 119.149 1.474 . . . . 0.0 111.914 171.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -68.12 126.66 14.74 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.483 2.789 . . . . 0.0 111.693 -177.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.46 -4.65 51.18 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.149 0.881 . . . . 0.0 114.694 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -59.06 -25.91 64.16 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.452 1.626 . . . . 0.0 113.102 173.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.0 m -65.74 154.33 39.31 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.313 1.445 . . . . 0.0 113.487 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.76 -21.26 18.08 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.865 1.266 . . . . 0.0 114.186 173.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -27.61 38.62 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.625 1.97 . . . . 0.0 114.055 170.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.14 -42.68 4.11 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.686 1.594 . . . . 0.0 111.525 178.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -102.86 94.42 5.57 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.152 0.981 . . . . 0.0 111.085 -169.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -50.12 -31.53 13.62 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.553 1.541 . . . . 0.0 114.947 -177.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -89.62 -12.4 39.79 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.198 1.399 . . . . 0.0 113.959 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 31.67 45.03 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 129.132 2.973 . . . . 0.0 115.478 -172.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.7 p30 -75.63 6.85 4.29 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 177.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.96 12.4 81.21 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.272 0.939 . . . . 0.0 114.09 -177.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.4 t -136.43 125.46 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 124.47 1.108 . . . . 0.0 108.881 173.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.34 145.53 43.98 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.785 0.802 . . . . 0.0 111.579 178.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.8 m 46.89 43.57 13.57 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.944 1.698 . . . . 0.0 112.458 -172.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -51.99 129.3 26.8 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.147 1.779 . . . . 0.0 113.706 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.0 tp -144.47 29.26 1.28 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.221 1.408 . . . . 0.0 113.532 -171.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.98 29.55 12.47 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 126.475 1.91 . . . . 0.0 114.745 178.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.4 t30 . . . . . 0 C--O 1.25 1.118 0 C-N-CA 125.254 1.422 . . . . 0.0 112.086 -175.324 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.93 177.03 8.18 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.646 1.578 . . . . 0.0 111.518 177.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.2 p 46.21 31.11 1.12 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 126.889 2.076 . . . . 0.0 115.227 -173.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -66.67 156.36 35.47 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.195 1.398 . . . . 0.0 112.219 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -126.57 82.02 2.05 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.063 1.345 . . . . 0.0 110.279 -176.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -62.08 106.7 0.75 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.104 1.362 . . . . 0.0 111.005 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.3 mt -83.29 137.46 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.186 0.994 . . . . 0.0 109.955 176.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -135.0 100.63 4.63 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.43 1.492 . . . . 0.0 110.238 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.427 ' HB2' HD11 ' A' ' 57' ' ' LEU . 64.0 m-85 -87.63 134.66 33.6 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.436 0.694 . . . . 0.0 110.851 173.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.7 m -66.13 -29.13 69.38 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.046 0.938 . . . . 0.0 113.395 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.4 t -164.36 153.32 13.29 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.155 1.782 . . . . 0.0 111.121 174.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.1 m -54.4 -24.13 18.54 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 166.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -55.8 -38.15 69.57 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.62 1.1 . . . . 0.0 113.041 171.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -75.23 -37.2 61.16 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.482 0.713 . . . . 0.0 111.823 175.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.25 -48.08 79.73 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.758 0.823 . . . . 0.0 112.059 176.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -58.06 -38.27 76.02 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.059 0.944 . . . . 0.0 113.361 176.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.79 -23.76 67.49 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 175.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -96.83 1.02 50.18 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.792 1.637 . . . . 0.0 113.341 174.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.55 7.9 87.63 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.622 1.106 . . . . 0.0 114.66 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -78.03 88.64 4.17 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.911 1.285 . . . . 0.0 109.377 177.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 t -131.94 159.52 38.44 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.794 2.038 . . . . 0.0 110.635 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.4 t0 50.9 42.94 28.67 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.434 1.494 . . . . 0.0 112.511 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.18 108.59 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.057 1.343 . . . . 0.0 109.763 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 64.1 m170 -79.15 170.26 16.92 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.778 1.231 . . . . 0.0 112.065 173.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -53.74 135.44 41.32 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.239 1.016 . . . . 0.0 112.126 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.4 -21.97 32.42 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 124.566 1.079 . . . . 0.0 114.843 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -81.18 154.21 72.14 Favored Pre-proline 0 CA--C 1.548 0.878 0 CA-C-N 119.087 1.444 . . . . 0.0 111.859 172.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -66.52 127.45 17.29 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.036 2.491 . . . . 0.0 111.792 -174.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.6 -9.04 52.25 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 118.641 -1.088 . . . . 0.0 114.625 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -53.23 -30.08 35.97 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.837 1.819 . . . . 0.0 113.212 172.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.4 m -65.0 155.61 34.04 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.966 1.707 . . . . 0.0 114.537 -178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.16 -22.09 15.89 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.141 1.377 . . . . 0.0 114.354 173.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -56.65 -23.26 40.19 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.854 2.061 . . . . 0.0 114.145 172.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.427 HD11 ' HB2' ' A' ' 32' ' ' PHE . 0.6 OUTLIER -112.96 -47.1 3.06 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.139 1.775 . . . . 0.0 111.377 178.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -96.06 94.31 7.49 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.322 1.049 . . . . 0.0 110.859 -172.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -48.93 -31.74 7.84 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 125.954 1.701 . . . . 0.0 115.083 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -91.55 -9.42 44.33 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.655 1.582 . . . . 0.0 114.174 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 33.43 49.9 0.25 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 128.692 2.797 . . . . 0.0 115.226 -176.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.4 p30 -84.18 10.86 9.21 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.801 1.24 . . . . 0.0 114.157 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.61 13.77 79.4 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.431 1.015 . . . . 0.0 114.398 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 t -141.79 127.29 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.707 1.203 . . . . 0.0 109.011 175.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -113.53 141.75 46.77 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 123.574 0.546 . . . . 0.0 111.697 -178.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 m 47.1 48.17 15.81 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.029 1.732 . . . . 0.0 112.429 -174.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -60.53 152.95 24.64 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 124.659 1.183 . . . . 0.0 113.67 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.2 mt -133.18 -33.52 1.13 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.288 1.035 . . . . 0.0 113.529 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -65.14 -39.86 93.62 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.564 1.146 . . . . 0.0 113.312 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 125.795 1.638 . . . . 0.0 111.394 173.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -138.05 56.92 1.73 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.263 1.425 . . . . 0.0 111.688 -173.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.6 t -53.78 134.49 42.27 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.143 1.377 . . . . 0.0 112.687 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -74.64 98.88 3.51 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.659 1.183 . . . . 0.0 111.89 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.82 -27.58 68.86 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 176.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -131.59 115.35 15.98 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.472 1.909 . . . . 0.0 109.266 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.9 mt -88.07 142.01 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.612 1.165 . . . . 0.0 110.084 177.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -140.49 78.46 1.65 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.987 1.315 . . . . 0.0 112.714 -173.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -70.82 131.24 43.5 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.351 -0.843 . . . . 0.0 111.795 175.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.1 m -67.36 -29.38 68.9 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.034 0.933 . . . . 0.0 113.286 176.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.5 t -164.93 158.31 17.01 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.641 1.976 . . . . 0.0 110.232 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.1 m -55.19 -22.5 17.8 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 165.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.86 -42.59 80.02 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 120.065 1.302 . . . . 0.0 111.899 172.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -71.53 -36.22 70.94 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.941 0.896 . . . . 0.0 111.758 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.68 -48.68 68.55 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.138 0.975 . . . . 0.0 111.759 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -60.36 -35.18 75.1 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.356 1.063 . . . . 0.0 113.479 176.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.96 -21.51 64.86 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 173.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -101.24 2.68 40.16 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.898 1.679 . . . . 0.0 113.112 173.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.37 9.46 81.75 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.065 1.316 . . . . 0.0 115.042 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -75.57 102.62 5.35 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.715 1.257 . . . . 0.0 109.319 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.3 t -142.03 159.81 41.48 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.556 1.942 . . . . 0.0 110.212 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.7 t0 51.12 41.0 27.11 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.33 1.452 . . . . 0.0 112.593 -175.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 78.4 mt -59.89 121.14 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.329 1.052 . . . . 0.0 109.213 178.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -101.53 174.26 6.05 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.305 1.442 . . . . 0.0 111.426 174.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -52.66 130.34 32.06 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.697 0.799 . . . . 0.0 112.313 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.1 -22.89 37.13 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.005 1.288 . . . . 0.0 114.423 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -76.64 154.6 83.55 Favored Pre-proline 0 CA--C 1.547 0.833 0 CA-C-N 118.795 1.298 . . . . 0.0 111.669 169.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -67.81 132.25 26.19 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 123.216 2.611 . . . . 0.0 111.777 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.2 -8.4 62.73 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.083 0.849 . . . . 0.0 114.577 177.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -57.28 -28.36 62.94 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.294 1.547 . . . . 0.0 113.059 172.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.5 m -69.36 155.05 41.07 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.454 1.502 . . . . 0.0 112.93 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.0 -19.54 44.58 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -56.02 -23.68 34.47 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.671 1.588 . . . . 0.0 114.494 169.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -115.81 -41.65 3.19 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.094 1.358 . . . . 0.0 111.863 -178.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -99.8 93.38 5.77 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.896 0.878 . . . . 0.0 110.414 -175.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -52.21 -33.56 41.59 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.191 1.396 . . . . 0.0 114.402 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -84.02 -10.38 57.93 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.486 1.914 . . . . 0.0 113.792 177.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.8 t60 30.71 50.82 0.1 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 129.229 3.011 . . . . 0.0 114.583 -174.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -86.28 7.92 23.42 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.789 1.235 . . . . 0.0 113.591 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.21 11.56 84.91 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 124.763 1.173 . . . . 0.0 114.299 -177.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.3 t -137.58 116.73 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.504 1.152 . . . . 0.0 109.218 174.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.91 145.29 30.61 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.641 0.734 . . . . 0.0 111.729 176.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 m 50.52 45.84 26.13 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 126.375 1.87 . . . . 0.0 113.546 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -63.55 146.5 53.58 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 125.553 1.541 . . . . 0.0 115.151 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.4 mt -124.18 26.85 7.31 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 126.443 1.897 . . . . 0.0 112.666 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.77 94.74 0.1 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.048 1.739 . . . . 0.0 111.854 174.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 127.154 2.181 . . . . 0.0 113.668 -176.111 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.491 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.66 99.02 3.0 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.965 0.906 . . . . 0.0 111.825 -178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m -62.97 159.17 17.54 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.274 1.03 . . . . 0.0 112.747 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -146.91 165.93 28.27 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.012 1.325 . . . . 0.0 111.784 175.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -131.82 85.44 2.25 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.011 1.324 . . . . 0.0 109.956 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -135.19 145.56 47.83 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.123 1.369 . . . . 0.0 111.828 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.8 mt -91.18 141.85 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.053 0.941 . . . . 0.0 109.457 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -144.61 72.75 1.35 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.909 1.284 . . . . 0.0 112.626 -170.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -65.18 139.25 58.65 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.595 -0.691 . . . . 0.0 111.632 172.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.4 p -67.91 -41.37 82.74 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.076 0.951 . . . . 0.0 113.055 177.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 m -158.27 158.74 35.01 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 127.319 2.248 . . . . 0.0 110.495 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.9 m -54.41 -24.27 19.22 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 173.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -54.89 -43.79 73.51 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.066 1.303 . . . . 0.0 113.103 171.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -71.27 -37.05 71.93 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.626 0.77 . . . . 0.0 111.66 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.23 -49.75 72.93 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.735 0.814 . . . . 0.0 111.685 175.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -59.45 -36.75 76.54 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.68 1.192 . . . . 0.0 113.352 175.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.39 -22.74 65.25 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 174.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -100.45 1.73 41.49 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.806 1.642 . . . . 0.0 113.124 174.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.25 15.93 68.11 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.819 1.2 . . . . 0.0 114.953 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -82.76 91.36 7.02 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.648 1.224 . . . . 0.0 109.266 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.8 p -127.98 157.33 40.9 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.828 1.651 . . . . 0.0 112.127 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 51.7 36.8 18.49 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 125.074 1.35 . . . . 0.0 113.66 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 70.6 mt -56.12 128.35 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.223 1.409 . . . . 0.0 110.755 -174.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -104.84 171.5 7.29 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.313 1.445 . . . . 0.0 112.445 175.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -52.74 128.27 25.99 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.779 0.832 . . . . 0.0 112.197 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.22 -22.39 41.13 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.969 1.271 . . . . 0.0 114.181 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -76.17 156.67 83.76 Favored Pre-proline 0 CA--C 1.545 0.765 0 CA-C-N 118.818 1.309 . . . . 0.0 112.01 169.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -67.37 130.86 23.38 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 123.072 2.515 . . . . 0.0 111.893 177.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.33 -9.97 59.5 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.542 1.068 . . . . 0.0 114.694 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -55.06 -29.03 56.63 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.112 1.456 . . . . 0.0 113.516 173.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.4 m -69.67 155.97 39.69 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.727 1.611 . . . . 0.0 113.54 -175.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.07 -24.88 27.48 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.046 1.338 . . . . 0.0 114.233 177.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -54.38 -24.31 19.17 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.267 1.827 . . . . 0.0 114.761 171.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.54 -44.31 2.98 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.113 1.365 . . . . 0.0 111.425 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -95.02 93.27 7.28 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.022 0.929 . . . . 0.0 110.593 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -50.97 -32.82 22.18 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.094 1.357 . . . . 0.0 114.566 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -85.55 -10.15 56.37 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.13 1.772 . . . . 0.0 113.941 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 32.08 50.19 0.16 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 128.986 2.914 . . . . 0.0 114.863 -176.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.4 p-10 -85.74 5.37 32.63 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.135 1.374 . . . . 0.0 113.854 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.02 12.79 82.16 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.469 1.033 . . . . 0.0 114.217 -177.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 t -138.93 126.48 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.591 1.157 . . . . 0.0 108.632 173.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -114.54 143.19 45.38 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.718 0.77 . . . . 0.0 111.427 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.8 m 50.25 44.11 26.33 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.847 1.659 . . . . 0.0 112.526 -177.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -57.66 146.57 30.33 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.584 1.954 . . . . 0.0 114.556 177.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -111.81 -28.67 7.98 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.135 1.374 . . . . 0.0 114.045 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -139.41 -21.23 0.93 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.673 1.589 . . . . 0.0 114.856 -172.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 . . . . . 0 C--O 1.251 1.134 0 C-N-CA 125.202 1.401 . . . . 0.0 112.886 -178.211 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.459 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.0 162.46 13.99 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.47 1.108 . . . . 0.0 113.493 176.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.6 m -65.81 148.68 51.39 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.267 1.027 . . . . 0.0 112.689 175.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -153.64 158.24 40.81 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.643 1.577 . . . . 0.0 110.573 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.05 70.06 1.36 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.87 1.268 . . . . 0.0 110.763 -172.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -62.96 112.83 2.75 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.097 0.959 . . . . 0.0 112.202 177.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.59 137.65 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.299 1.04 . . . . 0.0 110.391 172.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -138.05 102.27 4.64 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.435 1.494 . . . . 0.0 110.46 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -83.55 144.71 29.32 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.973 0.909 . . . . 0.0 111.091 172.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.3 t -69.69 -34.26 73.68 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.269 0.628 . . . . 0.0 112.468 174.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.4 t -162.9 158.63 22.73 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.078 1.751 . . . . 0.0 111.061 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.4 m -55.79 -22.52 24.93 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 166.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -62.39 -31.88 72.61 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.445 -0.784 . . . . 0.0 112.822 174.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -80.04 -34.08 38.55 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.809 1.244 . . . . 0.0 112.304 171.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.84 -47.12 86.49 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.48 -0.762 . . . . 0.0 111.87 174.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -60.37 -34.7 74.26 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 175.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.64 -18.56 64.07 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 173.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -104.86 0.23 27.79 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.918 1.687 . . . . 0.0 113.026 175.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.4 14.58 82.25 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 124.453 1.025 . . . . 0.0 114.634 -175.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -79.81 97.36 6.62 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.816 1.246 . . . . 0.0 108.74 176.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.4 m -139.73 157.71 45.31 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.223 1.409 . . . . 0.0 111.227 -171.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 47.06 39.71 8.36 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.899 1.279 . . . . 0.0 113.424 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.7 mt -57.2 130.87 20.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 125.215 1.406 . . . . 0.0 110.994 -174.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 55.7 m170 -104.29 170.73 7.73 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.406 1.483 . . . . 0.0 112.091 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -52.81 125.93 18.49 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.112 0.965 . . . . 0.0 112.014 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.96 -24.01 34.02 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.027 1.299 . . . . 0.0 114.156 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.56 152.51 78.19 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-N 118.562 1.181 . . . . 0.0 111.564 172.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -68.26 126.32 14.16 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.341 2.694 . . . . 0.0 111.596 -174.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.96 -4.17 52.55 Favored Glycine 0 CA--C 1.534 1.271 0 CA-C-O 118.877 -0.957 . . . . 0.0 114.792 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -55.22 -29.05 57.2 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.498 1.649 . . . . 0.0 113.493 171.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.7 m -64.47 154.75 34.9 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.809 1.644 . . . . 0.0 114.066 -177.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.75 -22.63 14.71 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.116 1.366 . . . . 0.0 114.203 171.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -57.51 -24.97 58.98 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.205 1.802 . . . . 0.0 113.572 172.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.06 -51.77 2.83 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.01 1.724 . . . . 0.0 110.558 177.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -85.83 90.41 8.04 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.171 1.389 . . . . 0.0 110.888 -172.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.4 mmm-85 -52.49 -43.36 64.99 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.569 1.147 . . . . 0.0 112.852 -174.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -69.67 -17.59 63.5 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.102 1.361 . . . . 0.0 114.576 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 35.11 42.09 0.08 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 129.107 2.963 . . . . 0.0 115.967 -171.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.5 p30 -72.31 -4.39 29.46 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 173.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.1 12.77 59.76 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.32 0.962 . . . . 0.0 114.139 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.7 t -137.12 125.34 33.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.852 1.261 . . . . 0.0 108.609 172.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -110.62 141.45 43.82 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.599 0.714 . . . . 0.0 111.735 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.2 m 50.57 41.99 26.23 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.265 1.826 . . . . 0.0 112.352 -177.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -58.89 151.13 22.38 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.19 1.796 . . . . 0.0 114.265 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.9 mt -112.04 16.05 20.39 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.3 1.44 . . . . 0.0 113.758 -177.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -82.68 127.67 33.63 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.28 1.032 . . . . 0.0 110.99 171.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 48.4 t30 . . . . . 0 C--O 1.252 1.23 0 C-N-CA 126.221 1.808 . . . . 0.0 111.543 178.412 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.581 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 51.21 31.29 6.61 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 125.993 1.717 . . . . 0.0 115.046 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.9 m -62.57 159.63 15.49 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.983 1.313 . . . . 0.0 112.856 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -58.15 126.54 27.95 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.48 1.112 . . . . 0.0 112.206 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -69.51 -25.26 63.95 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -67.83 139.38 56.56 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 122.494 1.14 . . . . 0.0 111.928 173.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.8 mt -65.27 138.18 23.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 124.89 1.276 . . . . 0.0 110.191 176.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -141.23 83.34 1.87 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.176 1.391 . . . . 0.0 111.529 -171.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -75.61 133.11 40.98 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.499 -0.751 . . . . 0.0 111.733 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.5 t -68.34 -31.84 71.53 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.853 0.861 . . . . 0.0 112.78 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.5 t -161.39 154.0 20.41 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.198 1.799 . . . . 0.0 110.613 176.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.1 m -54.29 -24.4 18.86 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 165.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -57.67 -38.81 75.75 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.707 1.139 . . . . 0.0 113.052 173.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -74.76 -37.36 62.49 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.594 0.758 . . . . 0.0 111.598 175.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.58 -47.16 79.71 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.012 0.925 . . . . 0.0 111.983 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -59.2 -36.96 76.29 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.58 1.152 . . . . 0.0 113.25 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.58 -22.3 66.82 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 174.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -96.31 0.87 51.4 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.705 1.602 . . . . 0.0 113.084 173.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.34 13.52 73.48 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.775 1.179 . . . . 0.0 114.761 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -80.51 108.25 13.99 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.582 1.191 . . . . 0.0 109.057 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.8 p -147.41 158.81 44.13 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.599 1.56 . . . . 0.0 111.29 -177.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.4 t0 47.25 44.3 15.69 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.288 1.035 . . . . 0.0 112.252 -176.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 77.1 mt -62.08 124.69 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 123.971 0.908 . . . . 0.0 108.793 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -104.53 169.61 8.37 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.852 1.261 . . . . 0.0 111.34 174.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -45.35 129.2 8.22 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.277 1.431 . . . . 0.0 113.241 174.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.72 -25.31 25.54 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.826 1.203 . . . . 0.0 114.419 -177.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -80.89 155.07 73.14 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 118.88 1.34 . . . . 0.0 111.895 172.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -66.43 133.43 32.41 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.209 2.606 . . . . 0.0 111.819 -177.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.09 -6.08 68.85 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 123.979 0.8 . . . . 0.0 114.811 177.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -57.22 -28.3 62.76 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.453 1.626 . . . . 0.0 112.989 171.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.7 m -68.14 156.15 38.11 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.514 1.526 . . . . 0.0 113.556 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.47 -21.32 24.88 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.943 1.297 . . . . 0.0 114.485 176.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -55.81 -23.78 32.22 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.226 1.41 . . . . 0.0 114.733 170.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.11 -50.81 2.86 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.262 1.425 . . . . 0.0 110.812 178.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -89.15 96.58 10.78 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.554 0.742 . . . . 0.0 110.673 -173.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.87 -30.83 25.49 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.44 1.496 . . . . 0.0 114.751 -178.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -92.74 -9.55 40.22 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.797 1.639 . . . . 0.0 114.073 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.3 t60 29.78 52.07 0.1 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 128.798 2.839 . . . . 0.0 115.22 -174.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.9 p30 -83.34 9.43 10.93 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.099 1.359 . . . . 0.0 113.968 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.6 12.41 83.7 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.464 1.031 . . . . 0.0 114.181 -176.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.7 t -136.64 127.66 41.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.45 1.1 . . . . 0.0 109.02 174.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.28 143.32 46.04 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.64 0.733 . . . . 0.0 111.415 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.3 m 50.42 47.5 23.88 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.613 1.965 . . . . 0.0 113.402 -176.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 pm0 -68.68 150.04 48.4 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.862 1.665 . . . . 0.0 114.188 177.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -110.13 11.05 23.86 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 125.641 1.576 . . . . 0.0 112.787 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -67.27 119.02 11.45 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.155 1.382 . . . . 0.0 110.837 -177.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 . . . . . 0 C--O 1.253 1.282 0 C-N-CA 126.808 2.043 . . . . 0.0 111.852 -179.803 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.526 0 N-CA-C 112.168 -0.373 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.47 168.94 20.62 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.18 1.392 . . . . 0.0 111.989 178.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.1 m -131.82 48.09 2.46 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.755 1.622 . . . . 0.0 111.222 -174.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -70.8 40.67 0.06 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 127.132 2.173 . . . . 0.0 113.582 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -68.26 -32.06 71.97 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.446 1.498 . . . . 0.0 111.795 176.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -64.54 137.25 57.75 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.36 1.064 . . . . 0.0 112.093 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.78 138.45 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.677 1.191 . . . . 0.0 110.53 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 -144.57 79.83 1.61 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.498 1.519 . . . . 0.0 111.778 -169.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -72.74 137.49 45.92 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.39 -0.818 . . . . 0.0 112.051 176.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.2 t -69.05 -38.89 79.36 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.69 0.796 . . . . 0.0 112.147 173.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.1 m -154.89 152.76 30.15 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.394 1.878 . . . . 0.0 111.175 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.0 m -55.29 -23.44 23.26 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 170.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -56.36 -39.77 73.44 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.224 1.01 . . . . 0.0 112.751 173.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -74.27 -34.83 63.71 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.457 1.103 . . . . 0.0 112.076 175.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.36 -48.76 71.81 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.717 0.807 . . . . 0.0 111.693 174.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -58.83 -35.88 73.63 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.978 -1.076 . . . . 0.0 113.341 175.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.94 -22.11 66.55 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 174.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -98.96 3.72 47.1 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.95 1.7 . . . . 0.0 113.08 173.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.72 13.83 81.87 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.652 1.12 . . . . 0.0 114.717 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -78.98 89.12 4.75 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.661 1.23 . . . . 0.0 109.569 177.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.3 p -123.82 163.92 20.24 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.194 1.798 . . . . 0.0 110.775 173.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 53.28 37.6 25.66 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.204 1.402 . . . . 0.0 114.151 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 72.3 mt -57.52 125.68 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 124.606 1.163 . . . . 0.0 110.487 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -109.18 175.65 5.38 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.206 1.803 . . . . 0.0 111.385 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -52.18 135.8 31.31 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.36 -0.838 . . . . 0.0 111.537 174.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.06 -23.68 22.6 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 125.607 1.575 . . . . 0.0 114.797 -176.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -82.83 153.42 67.31 Favored Pre-proline 0 CA--C 1.547 0.856 0 CA-C-N 119.259 1.53 . . . . 0.0 112.412 175.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -67.04 124.91 12.81 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.37 2.714 . . . . 0.0 111.812 -177.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.63 -5.28 51.15 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.278 0.942 . . . . 0.0 114.658 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -56.01 -28.65 58.19 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.469 1.635 . . . . 0.0 113.261 171.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 63.6 m -65.93 154.91 38.03 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.498 1.519 . . . . 0.0 113.648 -177.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.31 -22.59 19.48 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.661 1.184 . . . . 0.0 113.916 174.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -56.1 -23.65 35.43 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.096 2.159 . . . . 0.0 114.351 171.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -114.4 -45.42 3.03 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.655 1.582 . . . . 0.0 111.375 176.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -96.9 91.98 5.9 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.967 0.907 . . . . 0.0 110.838 -171.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.66 -28.83 6.38 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -92.18 -9.5 42.14 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.648 1.579 . . . . 0.0 114.146 177.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 31.24 47.19 0.05 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 129.585 3.154 . . . . 0.0 115.154 -174.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 44.9 p30 -80.87 6.75 12.26 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.069 1.347 . . . . 0.0 114.367 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.85 13.37 77.94 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 124.444 1.021 . . . . 0.0 114.196 -177.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.5 t -139.28 129.92 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.592 1.157 . . . . 0.0 108.689 172.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -120.93 146.94 46.11 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.449 0.642 . . . . 0.0 111.085 178.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.9 m 45.25 42.68 7.36 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.631 1.572 . . . . 0.0 112.701 -173.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -53.66 131.7 39.5 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.978 1.711 . . . . 0.0 113.372 177.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.5 tp -137.31 27.64 2.83 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 124.846 1.259 . . . . 0.0 113.325 -172.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -127.49 52.58 1.82 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 126.628 1.971 . . . . 0.0 112.316 -176.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 124.672 1.189 . . . . 0.0 112.739 173.363 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.538 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.11 175.33 8.59 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.367 1.067 . . . . 0.0 112.701 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.9 m -142.73 132.84 24.48 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.954 1.302 . . . . 0.0 111.303 176.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -75.61 169.15 18.67 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.586 1.154 . . . . 0.0 112.205 172.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -112.52 24.05 12.91 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.486 1.514 . . . . 0.0 112.191 -178.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -138.7 132.67 31.18 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.481 1.512 . . . . 0.0 110.28 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.0 mt -98.85 131.03 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.711 1.204 . . . . 0.0 109.588 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -128.52 92.79 3.49 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.556 1.542 . . . . 0.0 110.776 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -82.21 140.43 33.7 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.371 0.668 . . . . 0.0 110.874 170.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.2 t -65.06 -43.05 93.5 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.601 0.76 . . . . 0.0 112.257 175.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.5 m -156.78 154.67 30.31 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.558 1.943 . . . . 0.0 111.248 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.7 m -55.42 -26.0 39.31 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 172.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -52.8 -39.49 62.41 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.218 1.007 . . . . 0.0 113.394 172.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -78.79 -33.83 45.98 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.646 0.778 . . . . 0.0 112.275 176.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.73 -47.28 78.82 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.624 0.77 . . . . 0.0 111.842 175.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -58.01 -37.66 74.7 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.277 1.031 . . . . 0.0 113.265 175.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.91 -24.22 67.65 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -93.03 1.41 57.28 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.689 1.596 . . . . 0.0 113.187 172.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.33 10.6 77.19 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.907 1.241 . . . . 0.0 114.739 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -79.95 102.45 9.22 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.677 1.239 . . . . 0.0 109.252 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.1 p -139.49 163.51 32.34 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.211 1.804 . . . . 0.0 110.707 178.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.01 39.28 18.57 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.282 1.033 . . . . 0.0 113.03 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.2 mt -61.1 119.29 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 O-C-N 121.074 -1.016 . . . . 0.0 109.592 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -98.53 174.17 6.58 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.778 1.631 . . . . 0.0 111.38 174.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -51.01 139.58 17.26 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 175.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.11 -23.27 9.75 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 124.987 1.279 . . . . 0.0 115.127 -176.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -81.4 153.86 71.42 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 119.478 1.639 . . . . 0.0 112.283 174.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -66.73 126.33 15.2 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.311 2.674 . . . . 0.0 111.89 -177.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.26 -7.91 52.2 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.246 0.927 . . . . 0.0 114.575 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -56.18 -27.74 55.57 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.222 1.511 . . . . 0.0 113.385 174.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.7 t -68.84 159.14 33.04 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.544 1.538 . . . . 0.0 113.439 -176.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.32 -21.06 21.86 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.677 1.191 . . . . 0.0 114.096 173.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -59.9 -23.16 63.26 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 174.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.1 -44.91 3.09 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.572 1.549 . . . . 0.0 111.495 -179.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -96.26 94.55 7.54 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.575 1.15 . . . . 0.0 110.039 -173.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -50.04 -31.67 13.58 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.783 1.633 . . . . 0.0 114.815 -177.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -90.5 -11.17 41.04 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.671 1.588 . . . . 0.0 113.954 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 32.92 45.7 0.07 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 128.953 2.901 . . . . 0.0 115.167 -173.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.6 p30 -78.27 9.52 3.76 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 175.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.33 14.23 81.79 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.42 1.01 . . . . 0.0 113.92 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 t -138.62 119.96 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.339 1.055 . . . . 0.0 109.159 175.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -110.45 145.84 36.95 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.744 0.783 . . . . 0.0 111.401 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 m 48.25 49.22 18.02 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.161 1.784 . . . . 0.0 112.946 -177.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.41 138.81 55.62 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 126.013 1.725 . . . . 0.0 114.302 -178.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.0 mt -125.33 25.04 7.22 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 126.228 1.811 . . . . 0.0 113.621 -178.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.94 -3.56 5.8 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -177.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.7 m120 . . . . . 0 C--O 1.253 1.255 0 C-N-CA 125.809 1.643 . . . . 0.0 111.892 -178.413 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.555 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.08 156.36 47.23 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.992 1.317 . . . . 0.0 111.435 175.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.0 t -148.43 121.96 9.15 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.134 1.374 . . . . 0.0 109.754 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -138.03 50.68 1.91 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.149 1.38 . . . . 0.0 110.77 -168.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -72.75 44.44 0.13 Allowed 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 126.336 1.854 . . . . 0.0 113.519 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -73.46 73.53 1.4 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.803 2.041 . . . . 0.0 112.955 -177.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.2 mt -58.3 141.25 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.948 1.299 . . . . 0.0 111.33 174.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -148.17 67.77 1.09 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.115 1.366 . . . . 0.0 113.236 -168.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -61.94 141.4 58.04 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.268 -0.895 . . . . 0.0 112.234 174.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.1 t -72.7 -40.75 65.95 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.473 0.709 . . . . 0.0 112.362 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.1 m -154.96 154.77 33.1 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.375 1.87 . . . . 0.0 111.067 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.0 m -56.56 -23.13 38.19 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 172.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -56.58 -40.19 74.81 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.735 1.152 . . . . 0.0 113.072 172.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -72.46 -37.22 68.57 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.329 0.651 . . . . 0.0 111.463 176.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.36 -47.7 78.32 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.859 0.864 . . . . 0.0 112.092 176.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -58.67 -37.79 76.79 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.351 1.06 . . . . 0.0 113.138 175.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.51 -22.16 66.89 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 174.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -96.14 3.56 53.16 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.884 1.674 . . . . 0.0 112.989 172.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.45 4.44 89.31 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.143 1.354 . . . . 0.0 114.966 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -75.25 105.13 6.11 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.737 1.268 . . . . 0.0 109.553 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -141.57 162.64 34.98 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.214 1.406 . . . . 0.0 110.802 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 51.88 36.93 19.45 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.681 1.192 . . . . 0.0 113.601 177.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 72.6 mt -57.57 128.0 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.421 1.488 . . . . 0.0 110.151 -176.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -107.05 171.92 7.1 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.719 1.608 . . . . 0.0 111.405 174.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -50.47 128.9 21.1 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.399 1.08 . . . . 0.0 112.221 178.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 97.4 -23.6 35.13 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.846 1.213 . . . . 0.0 114.304 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -79.18 152.49 76.51 Favored Pre-proline 0 CA--C 1.546 0.802 0 CA-C-N 118.836 1.318 . . . . 0.0 111.635 171.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -66.05 130.76 25.09 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.169 2.579 . . . . 0.0 111.628 -177.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.33 -7.81 58.48 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 124.295 0.95 . . . . 0.0 114.608 178.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -56.09 -27.75 54.94 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.356 1.578 . . . . 0.0 113.673 174.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.51 163.16 26.56 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -172.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.43 -22.31 31.08 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -56.58 -24.15 45.43 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.791 1.636 . . . . 0.0 114.859 171.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.96 -42.52 2.93 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.173 1.389 . . . . 0.0 111.368 178.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -95.54 89.97 5.57 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.088 0.955 . . . . 0.0 110.392 -171.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -49.02 -31.75 8.12 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.039 1.736 . . . . 0.0 115.177 -177.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -88.34 -13.28 41.11 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.738 1.615 . . . . 0.0 114.035 178.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 32.26 43.01 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 129.457 3.103 . . . . 0.0 115.596 -169.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.7 p30 -73.05 -0.97 15.42 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.156 1.383 . . . . 0.0 114.661 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.87 12.55 66.09 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.171 0.891 . . . . 0.0 113.863 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.6 t -137.06 125.63 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 124.7 1.2 . . . . 0.0 107.825 173.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -115.44 148.14 39.75 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.609 0.718 . . . . 0.0 111.308 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.7 m 48.13 44.13 18.99 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.02 1.728 . . . . 0.0 112.709 -174.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -61.96 153.93 27.93 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 125.629 1.571 . . . . 0.0 114.843 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.6 mt -125.97 28.1 6.19 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.803 1.641 . . . . 0.0 113.028 -177.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.04 28.17 4.8 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 126.396 1.879 . . . . 0.0 113.694 -173.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 59.1 t30 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.921 2.089 . . . . 0.0 113.228 -172.529 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.439 0 N-CA-C 111.329 -0.709 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.87 146.25 49.74 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 117.787 0.794 . . . . 0.0 111.897 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.5 m -70.53 164.74 24.16 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.27 1.028 . . . . 0.0 112.358 173.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -142.61 152.58 42.66 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.972 1.309 . . . . 0.0 112.482 177.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -84.8 92.56 8.27 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.382 1.073 . . . . 0.0 110.337 175.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -128.62 73.64 1.51 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.425 1.49 . . . . 0.0 110.312 -176.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.4 mt -69.81 142.01 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.934 1.294 . . . . 0.0 110.571 174.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -142.69 82.58 1.78 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.942 1.297 . . . . 0.0 113.13 -175.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -71.46 134.77 46.8 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.148 -0.97 . . . . 0.0 111.704 173.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.0 t -69.74 -32.17 70.55 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.303 0.641 . . . . 0.0 112.232 171.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.4 p -159.68 161.94 34.98 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.45 1.5 . . . . 0.0 112.353 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.1 m -62.33 -21.44 65.29 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 169.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -60.0 -41.17 91.54 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.994 1.27 . . . . 0.0 111.938 175.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -69.52 -38.98 77.8 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.711 0.804 . . . . 0.0 111.604 175.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.81 77.4 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.823 0.849 . . . . 0.0 112.082 175.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -59.39 -37.65 78.51 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.334 1.054 . . . . 0.0 113.344 175.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.05 -19.11 64.08 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 174.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -101.12 3.91 41.64 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.746 1.618 . . . . 0.0 112.959 173.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.5 6.22 87.71 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.188 1.375 . . . . 0.0 114.987 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -72.7 118.08 15.19 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.583 1.192 . . . . 0.0 109.098 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.4 p -155.57 162.4 40.67 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.624 1.169 . . . . 0.0 112.105 -177.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 48.97 38.89 13.41 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.508 1.523 . . . . 0.0 112.842 -177.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 77.1 mt -57.53 126.01 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 125.86 1.664 . . . . 0.0 110.036 -176.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 46.3 m170 -104.23 170.21 8.04 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.619 1.568 . . . . 0.0 111.647 174.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -49.91 126.95 15.29 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.486 1.115 . . . . 0.0 112.495 177.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.39 -24.91 30.31 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.061 1.315 . . . . 0.0 114.07 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -76.68 153.12 83.34 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 118.741 1.271 . . . . 0.0 111.629 170.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -67.87 130.35 21.6 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.26 2.64 . . . . 0.0 112.065 -176.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.85 -5.75 58.29 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.473 1.035 . . . . 0.0 114.474 177.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -57.21 -26.57 60.91 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.234 1.517 . . . . 0.0 113.284 172.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 82.2 p -65.29 157.48 28.95 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.808 1.643 . . . . 0.0 113.968 -176.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.78 -16.28 26.72 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 172.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -63.06 -24.2 67.8 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.242 1.417 . . . . 0.0 113.305 172.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -114.51 -45.64 3.0 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.931 1.292 . . . . 0.0 111.684 179.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -94.52 92.12 6.94 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.17 0.988 . . . . 0.0 110.587 -173.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -53.86 -31.89 51.18 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -177.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -83.33 -11.39 57.73 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.198 1.799 . . . . 0.0 113.66 177.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 31.96 50.78 0.17 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 128.932 2.893 . . . . 0.0 114.548 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.2 p-10 -88.19 6.69 35.43 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.239 1.415 . . . . 0.0 113.79 -176.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.13 9.74 85.75 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.557 1.075 . . . . 0.0 114.513 -178.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.3 t -136.07 123.24 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.695 1.198 . . . . 0.0 108.645 172.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -114.67 149.7 36.33 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.37 0.605 . . . . 0.0 112.008 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 m 46.12 42.74 10.18 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.058 1.743 . . . . 0.0 112.51 -174.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -54.17 139.31 35.92 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.771 1.629 . . . . 0.0 113.799 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.1 mt -125.11 -29.48 3.31 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.369 1.067 . . . . 0.0 113.848 174.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -72.55 94.84 1.74 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.407 1.083 . . . . 0.0 110.917 177.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 . . . . . 0 C--O 1.255 1.358 0 C-N-CA 125.507 1.523 . . . . 0.0 113.059 -179.31 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.508 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -146.18 149.43 33.93 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.368 1.467 . . . . 0.0 111.006 174.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.1 m -143.89 105.17 4.25 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.933 1.293 . . . . 0.0 110.42 -172.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -134.12 47.11 2.45 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.661 1.585 . . . . 0.0 111.531 -173.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -77.82 31.91 0.17 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.429 1.492 . . . . 0.0 112.886 176.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -58.46 156.47 10.35 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 122.763 1.268 . . . . 0.0 113.262 176.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 90.3 mt -68.79 133.48 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.635 176.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.8 p-80 -135.41 107.97 7.41 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.034 1.734 . . . . 0.0 109.214 -177.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -103.39 137.22 41.79 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.03 0.932 . . . . 0.0 110.127 176.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.1 t -64.98 -33.99 77.36 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.705 0.802 . . . . 0.0 112.653 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.1 t -164.63 157.76 17.2 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.175 1.79 . . . . 0.0 110.833 176.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.3 m -53.19 -25.05 12.45 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.576 1.325 . . . . 0.0 114.576 167.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -57.76 -39.73 78.1 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.674 1.125 . . . . 0.0 112.717 173.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -72.38 -37.02 68.84 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.849 0.86 . . . . 0.0 111.604 175.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.84 -48.77 77.61 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.874 0.869 . . . . 0.0 111.771 177.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -59.17 -33.54 71.06 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.257 -0.902 . . . . 0.0 113.387 175.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.31 -22.67 67.02 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 174.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -100.07 3.5 44.08 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.237 1.815 . . . . 0.0 112.719 174.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.89 5.44 87.87 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 125.027 1.298 . . . . 0.0 114.843 -178.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -75.37 106.09 6.72 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 118.792 1.296 . . . . 0.0 109.629 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.4 p -144.6 161.37 39.31 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.918 1.687 . . . . 0.0 111.209 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 50.07 38.45 16.81 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.952 1.301 . . . . 0.0 113.635 -177.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 72.9 mt -58.6 125.51 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.994 1.318 . . . . 0.0 109.984 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -104.95 172.48 6.76 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.016 1.727 . . . . 0.0 111.871 175.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -52.71 129.51 29.84 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.928 0.891 . . . . 0.0 112.351 178.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 97.97 -23.15 37.27 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.014 1.292 . . . . 0.0 114.236 -178.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -81.43 153.84 71.34 Favored Pre-proline 0 CA--C 1.544 0.737 0 CA-C-N 118.814 1.307 . . . . 0.0 112.081 173.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.87 128.56 20.08 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.313 2.675 . . . . 0.0 111.778 -177.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.21 -8.11 57.06 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 124.156 0.884 . . . . 0.0 114.542 178.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -56.0 -28.42 57.13 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.345 1.572 . . . . 0.0 113.423 173.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.0 t -70.27 160.37 32.34 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.511 1.124 . . . . 0.0 113.321 -175.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.26 -19.27 20.52 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 173.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? -59.4 -24.42 63.45 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 172.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.31 -45.09 3.17 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.198 1.399 . . . . 0.0 111.623 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -96.19 93.64 7.04 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.021 0.929 . . . . 0.0 110.217 -174.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -51.45 -33.37 30.62 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.29 1.436 . . . . 0.0 114.278 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -82.68 -10.58 58.86 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.578 1.951 . . . . 0.0 113.981 177.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.3 t60 30.09 50.63 0.08 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 128.923 2.889 . . . . 0.0 114.498 -172.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.1 p-10 -84.1 7.64 18.08 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.846 1.258 . . . . 0.0 113.715 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.8 14.21 82.61 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.529 1.061 . . . . 0.0 114.3 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.0 t -140.49 127.95 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.479 1.111 . . . . 0.0 108.756 173.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -113.97 142.32 46.3 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.787 0.803 . . . . 0.0 111.391 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.7 m 48.1 42.83 17.69 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 126.535 1.934 . . . . 0.0 113.29 -177.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -52.93 148.27 7.96 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.886 2.074 . . . . 0.0 115.174 178.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.5 mt -122.75 -33.78 3.33 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 176.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -95.66 67.3 2.8 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.12 1.368 . . . . 0.0 110.698 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.1 m120 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 125.9 1.68 . . . . 0.0 113.457 179.896 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 112.304 -0.318 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.02 -27.66 68.28 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -176.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.3 m -121.33 58.92 0.97 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.223 1.809 . . . . 0.0 110.62 -175.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -107.45 97.32 7.08 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.36 1.464 . . . . 0.0 109.916 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -58.64 102.98 0.13 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.905 1.282 . . . . 0.0 112.035 175.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -61.72 116.23 4.62 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.646 0.778 . . . . 0.0 111.205 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.4 mt -77.61 129.87 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.146 0.978 . . . . 0.0 109.526 177.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -130.62 99.2 4.89 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.282 1.433 . . . . 0.0 110.436 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.405 ' HB2' HD11 ' A' ' 57' ' ' LEU . 75.3 m-85 -84.0 142.1 30.72 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.858 0.863 . . . . 0.0 110.617 170.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.6 m -68.6 -28.49 66.97 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.932 0.893 . . . . 0.0 113.184 175.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 t -166.43 155.43 11.05 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.341 1.856 . . . . 0.0 110.816 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.1 m -54.52 -23.79 17.95 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 166.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -60.08 -36.95 78.51 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.418 1.008 . . . . 0.0 112.758 175.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -75.27 -36.7 61.17 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.314 1.046 . . . . 0.0 111.753 173.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.96 -47.8 79.01 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.968 0.907 . . . . 0.0 111.795 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -59.9 -35.51 75.01 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.379 1.072 . . . . 0.0 113.543 176.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.52 -19.96 65.22 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 173.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -101.64 2.87 39.27 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.004 1.721 . . . . 0.0 112.946 173.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.0 7.59 86.96 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.95 1.262 . . . . 0.0 114.942 -178.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -75.82 100.26 4.7 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 118.744 1.272 . . . . 0.0 109.357 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.2 t -142.89 157.81 44.23 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 126.047 1.739 . . . . 0.0 110.936 -177.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 51.58 39.32 24.65 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.665 1.586 . . . . 0.0 112.511 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.8 mt -56.51 121.65 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 125.738 1.615 . . . . 0.0 109.715 -178.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -95.49 172.08 8.29 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.83 1.252 . . . . 0.0 111.933 175.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -59.63 128.0 34.81 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.349 -0.845 . . . . 0.0 111.404 -178.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.25 -21.41 45.71 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.627 1.108 . . . . 0.0 114.344 -176.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.42 154.37 76.6 Favored Pre-proline 0 CA--C 1.548 0.876 0 CA-C-N 118.929 1.365 . . . . 0.0 112.056 173.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -66.22 123.88 11.8 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.328 2.685 . . . . 0.0 111.888 -176.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.22 -8.06 41.16 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.527 1.061 . . . . 0.0 114.421 179.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -56.96 -29.18 62.96 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 119.305 1.553 . . . . 0.0 112.956 173.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.82 155.94 38.2 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.764 1.226 . . . . 0.0 112.978 -177.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.9 -18.46 8.99 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 174.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -57.81 -22.88 49.84 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.975 1.71 . . . . 0.0 114.274 169.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.405 HD11 ' HB2' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -115.86 -45.33 2.88 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.564 1.546 . . . . 0.0 111.636 179.517 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -100.04 91.11 4.64 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.051 0.94 . . . . 0.0 110.29 -172.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -52.24 -32.69 38.1 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.049 1.34 . . . . 0.0 114.294 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -81.44 -12.61 58.85 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.148 1.779 . . . . 0.0 113.856 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 35.28 45.92 0.23 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 128.6 2.76 . . . . 0.0 114.486 -176.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -81.58 4.93 19.63 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.039 1.336 . . . . 0.0 113.73 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.92 10.62 83.79 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.671 1.129 . . . . 0.0 114.391 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 t -137.79 125.4 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.655 1.182 . . . . 0.0 108.668 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -111.51 141.18 45.42 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.639 0.733 . . . . 0.0 111.268 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.4 m 49.77 42.0 23.07 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 126.36 1.864 . . . . 0.0 113.567 -177.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -52.12 141.13 19.21 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 126.638 1.975 . . . . 0.0 114.71 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.6 mt -117.9 -33.99 4.31 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 175.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -59.72 106.79 0.52 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.646 1.178 . . . . 0.0 111.631 174.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.4 t30 . . . . . 0 C--O 1.253 1.269 0 C-N-CA 125.473 1.509 . . . . 0.0 112.441 177.151 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.529 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -154.92 162.83 40.97 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.942 1.297 . . . . 0.0 111.976 177.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.5 t -68.11 138.25 55.58 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.115 0.966 . . . . 0.0 111.511 171.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -68.62 128.02 35.13 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.355 1.062 . . . . 0.0 112.153 175.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -87.58 -25.87 23.39 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.718 0.807 . . . . 0.0 112.955 177.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -70.87 119.62 15.27 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.003 0.921 . . . . 0.0 112.298 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.9 mt -74.59 135.0 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.72 1.208 . . . . 0.0 110.153 177.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.4 p-80 -138.74 86.47 2.15 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.63 1.572 . . . . 0.0 111.187 -173.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.411 ' HB2' HD11 ' A' ' 57' ' ' LEU . 64.5 m-85 -77.84 131.8 37.71 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.558 -0.714 . . . . 0.0 111.202 175.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -67.53 -32.98 74.13 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.691 0.796 . . . . 0.0 112.476 174.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.1 t -159.2 151.15 20.81 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.931 1.693 . . . . 0.0 110.934 177.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.1 m -53.62 -24.0 12.73 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 166.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -58.03 -38.37 76.09 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 120.134 1.334 . . . . 0.0 112.925 174.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -75.08 -34.63 61.8 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.795 0.838 . . . . 0.0 111.95 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.74 -48.39 69.29 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.813 0.845 . . . . 0.0 111.65 175.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -57.58 -38.02 74.16 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.65 1.18 . . . . 0.0 113.246 176.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.67 -25.04 67.94 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 175.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -93.23 0.53 57.11 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.513 1.525 . . . . 0.0 113.245 173.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.53 12.22 73.04 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.81 1.195 . . . . 0.0 114.75 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -78.47 101.3 7.25 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.659 1.229 . . . . 0.0 109.238 178.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.6 p -136.97 165.46 25.94 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.589 1.555 . . . . 0.0 111.345 176.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 50.84 36.56 14.94 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.124 1.369 . . . . 0.0 113.637 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 80.9 mt -56.71 123.11 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.652 1.181 . . . . 0.0 110.41 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -102.62 174.11 6.04 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.839 1.656 . . . . 0.0 111.65 174.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -52.97 130.12 32.67 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.769 0.827 . . . . 0.0 112.018 177.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.28 -22.19 41.24 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.974 1.273 . . . . 0.0 114.46 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.96 154.26 80.32 Favored Pre-proline 0 CA--C 1.547 0.855 0 CA-C-N 118.742 1.271 . . . . 0.0 111.621 170.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -67.13 128.54 18.75 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 123.381 2.721 . . . . 0.0 111.726 -177.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.27 -7.43 58.39 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-O 119.032 -0.871 . . . . 0.0 114.472 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -55.71 -29.02 58.76 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.447 1.623 . . . . 0.0 113.248 171.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.1 m -65.37 154.0 39.61 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.371 1.468 . . . . 0.0 113.167 -178.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.78 -19.64 18.09 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 174.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -55.98 -25.49 44.15 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.273 1.829 . . . . 0.0 114.109 170.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' A' ' 32' ' ' PHE . 1.2 mm? -114.11 -41.53 3.5 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.485 1.514 . . . . 0.0 112.04 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -104.03 93.79 5.05 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.333 1.053 . . . . 0.0 109.89 -174.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -55.4 -37.41 67.57 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.157 1.383 . . . . 0.0 112.988 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -72.02 -13.65 61.66 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.748 1.219 . . . . 0.0 114.168 173.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 33.34 47.95 0.15 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 128.781 2.832 . . . . 0.0 114.256 -175.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.6 p-10 -84.36 9.71 12.49 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.785 1.234 . . . . 0.0 113.657 -177.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.85 13.77 82.78 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.585 1.088 . . . . 0.0 113.994 -177.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.2 t -138.58 122.21 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.554 1.142 . . . . 0.0 108.606 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -109.34 145.57 35.81 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.824 0.821 . . . . 0.0 110.94 176.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.7 m 49.21 46.01 23.05 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 126.095 1.758 . . . . 0.0 113.374 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -60.18 145.93 45.28 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 125.401 1.48 . . . . 0.0 114.32 176.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.3 mt -128.4 21.77 6.09 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 125.917 1.687 . . . . 0.0 113.347 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 pptp? -126.08 18.12 7.79 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.394 1.478 . . . . 0.0 114.725 -173.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 56.5 t30 . . . . . 0 C--O 1.254 1.313 0 C-N-CA 126.341 1.856 . . . . 0.0 112.896 173.921 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.326 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.1 157.04 42.88 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.83 1.652 . . . . 0.0 110.954 176.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.3 m -64.3 167.73 6.44 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.323 1.049 . . . . 0.0 112.269 174.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -107.45 118.07 35.76 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.194 0.997 . . . . 0.0 109.962 174.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -135.78 23.48 3.36 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.558 1.143 . . . . 0.0 113.059 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -89.03 137.33 32.41 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.348 1.459 . . . . 0.0 111.511 176.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.7 mt -82.11 139.42 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.586 1.154 . . . . 0.0 110.431 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -137.4 91.2 2.58 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.316 1.446 . . . . 0.0 110.727 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -73.65 140.65 46.27 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.547 0.739 . . . . 0.0 111.236 168.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.8 m -79.08 -21.74 46.28 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 175.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m -167.3 152.53 7.33 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.707 2.003 . . . . 0.0 110.633 177.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.5 m -56.19 -24.26 40.58 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.128 1.159 . . . . 0.0 114.128 168.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -52.59 -42.11 64.23 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.039 1.336 . . . . 0.0 113.042 171.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -76.33 -35.72 58.62 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.336 1.055 . . . . 0.0 112.051 177.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.48 -47.83 77.5 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.808 0.843 . . . . 0.0 111.89 174.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -59.49 -36.77 76.68 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.873 1.269 . . . . 0.0 113.098 175.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.73 -20.56 65.04 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 174.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -101.28 3.26 40.61 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.869 1.667 . . . . 0.0 112.947 173.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.56 14.3 78.46 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.874 1.226 . . . . 0.0 114.995 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -78.84 106.86 11.15 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.701 1.251 . . . . 0.0 108.979 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.8 p -147.92 160.13 43.13 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.333 1.453 . . . . 0.0 111.676 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 t0 48.3 42.91 18.68 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.634 1.174 . . . . 0.0 112.521 -171.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 81.8 mt -58.54 119.15 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.739 1.216 . . . . 0.0 109.247 177.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 42.8 m170 -99.2 175.15 5.99 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.105 1.362 . . . . 0.0 110.926 172.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -48.32 137.03 11.6 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.777 0.831 . . . . 0.0 113.012 173.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.6 -24.78 8.05 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 124.846 1.212 . . . . 0.0 115.05 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -74.22 152.54 88.21 Favored Pre-proline 0 CA--C 1.547 0.828 0 CA-C-N 119.36 1.58 . . . . 0.0 111.455 169.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -67.21 132.33 27.48 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.111 2.541 . . . . 0.0 111.567 -178.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 97.81 -6.73 62.64 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 124.134 0.874 . . . . 0.0 114.945 177.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -57.54 -26.73 61.83 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 119.406 1.603 . . . . 0.0 112.843 172.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.3 m -64.9 155.07 35.47 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.948 1.699 . . . . 0.0 113.503 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.16 -19.55 21.07 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.427 1.091 . . . . 0.0 113.811 172.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -58.98 -22.61 60.68 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.792 1.637 . . . . 0.0 113.863 171.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -117.91 -41.3 2.91 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.543 1.537 . . . . 0.0 112.235 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -103.91 92.1 4.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.39 1.076 . . . . 0.0 109.985 -173.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -55.97 -36.59 68.01 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.145 1.778 . . . . 0.0 113.454 -176.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -73.4 -13.22 61.04 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.608 1.563 . . . . 0.0 114.505 172.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.1 t60 30.16 50.98 0.09 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 129.281 3.032 . . . . 0.0 114.895 -174.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -85.97 5.59 32.54 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.326 1.45 . . . . 0.0 113.882 -177.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.62 8.76 85.64 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.657 1.122 . . . . 0.0 114.508 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.0 t -136.01 117.21 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.72 1.208 . . . . 0.0 108.432 174.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -106.1 148.52 27.72 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.429 0.633 . . . . 0.0 111.488 177.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.5 m 46.14 45.25 12.6 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.93 1.692 . . . . 0.0 113.254 -175.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -55.5 144.61 25.44 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.11 1.364 . . . . 0.0 114.15 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.1 mt -128.49 -34.55 2.02 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -79.61 104.3 10.11 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.923 0.889 . . . . 0.0 109.504 177.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 35.2 m120 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 124.952 1.301 . . . . 0.0 112.739 176.567 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.542 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.38 171.47 11.15 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.13 0.972 . . . . 0.0 112.44 175.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 m -66.95 -14.46 62.85 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -142.76 167.37 22.24 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.259 1.823 . . . . 0.0 111.131 173.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -123.82 14.95 9.35 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.588 1.155 . . . . 0.0 112.696 -174.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -66.36 149.93 49.64 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.636 1.174 . . . . 0.0 111.34 173.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.9 mt -110.74 140.45 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.987 1.315 . . . . 0.0 109.951 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -137.83 66.04 1.46 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.105 1.762 . . . . 0.0 111.828 -170.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -58.28 145.6 37.16 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 121.441 -0.787 . . . . 0.0 111.582 167.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.1 t -71.41 -44.43 64.93 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.589 0.355 . . . . 0.0 111.94 175.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.6 m -155.87 159.54 39.41 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.57 1.948 . . . . 0.0 110.92 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.5 m -55.9 -23.35 30.89 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 171.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.23 -38.5 80.15 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.968 0.907 . . . . 0.0 112.299 174.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -73.8 -36.62 65.04 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.633 1.173 . . . . 0.0 112.161 172.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.9 -48.92 78.29 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.45 -0.781 . . . . 0.0 112.032 175.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -60.47 -34.25 73.76 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.241 -0.912 . . . . 0.0 113.191 175.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.22 -19.13 65.14 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 173.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -102.73 4.17 37.75 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.147 1.779 . . . . 0.0 112.803 173.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.63 12.59 84.35 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.785 1.183 . . . . 0.0 114.93 -178.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -79.5 108.16 12.82 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.682 1.241 . . . . 0.0 109.047 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.8 p -148.48 160.84 42.67 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.536 1.535 . . . . 0.0 111.71 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.1 t0 45.78 43.81 10.14 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.636 1.175 . . . . 0.0 112.618 -174.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.75 130.64 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 121.209 -0.932 . . . . 0.0 110.194 -177.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -107.96 171.41 7.41 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.225 1.41 . . . . 0.0 111.538 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -54.0 124.57 15.92 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.174 0.989 . . . . 0.0 111.733 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.52 -24.5 31.39 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.162 1.363 . . . . 0.0 114.004 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.3 152.36 76.07 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-N 118.627 1.213 . . . . 0.0 111.628 172.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.41 127.08 15.12 Favored 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 123.282 2.655 . . . . 0.0 111.869 -174.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.83 -9.13 47.21 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.454 1.026 . . . . 0.0 114.59 178.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -53.29 -29.63 34.32 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.432 1.616 . . . . 0.0 113.83 173.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 t -73.86 162.45 29.09 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.402 1.081 . . . . 0.0 113.606 -171.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.96 -21.39 44.07 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.825 1.25 . . . . 0.0 114.053 176.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -59.17 -21.55 59.59 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.577 1.551 . . . . 0.0 114.603 172.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.7 -50.66 2.51 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.441 1.497 . . . . 0.0 110.899 178.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -86.49 95.64 9.78 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.561 0.744 . . . . 0.0 110.774 -175.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.8 mmm-85 -53.61 -43.78 68.94 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.497 1.119 . . . . 0.0 112.634 -175.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -74.34 -13.43 60.74 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 114.822 1.415 . . . . 0.0 114.822 176.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.0 t60 31.36 50.89 0.13 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 128.925 2.89 . . . . 0.0 115.523 -174.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.1 p30 -81.43 4.39 21.17 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.029 1.332 . . . . 0.0 114.455 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.97 12.29 71.58 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.34 0.971 . . . . 0.0 114.258 -178.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.2 t -137.64 126.09 32.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 124.579 1.152 . . . . 0.0 108.621 172.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -112.15 143.82 42.56 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.586 0.708 . . . . 0.0 111.633 178.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.2 m 46.25 43.46 11.37 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.078 1.751 . . . . 0.0 112.494 -174.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -52.42 140.49 22.14 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.266 1.826 . . . . 0.0 113.328 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.4 tp -142.41 -21.59 0.68 Allowed 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.712 1.005 . . . . 0.0 113.712 -169.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -64.43 125.31 24.22 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.801 0.841 . . . . 0.0 110.404 166.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 126.327 1.851 . . . . 0.0 111.61 179.191 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -144.14 140.75 29.57 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.287 1.435 . . . . 0.0 110.999 175.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.4 m -142.97 118.59 10.42 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.222 1.409 . . . . 0.0 110.662 178.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -161.48 168.5 23.57 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.45 1.9 . . . . 0.0 110.788 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -136.06 59.59 1.7 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.224 1.41 . . . . 0.0 111.573 -176.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.3 p-10 -60.06 164.22 4.19 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.412 1.085 . . . . 0.0 112.941 173.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 86.0 mt -91.99 132.71 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.094 0.958 . . . . 0.0 109.189 175.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -128.35 103.88 7.4 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.975 1.71 . . . . 0.0 109.858 -179.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.515 ' HB2' HD11 ' A' ' 57' ' ' LEU . 56.9 m-85 -95.8 131.17 42.39 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.408 0.683 . . . . 0.0 110.226 174.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.9 t -67.57 -30.83 70.56 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.573 0.749 . . . . 0.0 112.474 176.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.1 p -159.75 156.64 27.98 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.525 1.53 . . . . 0.0 112.203 173.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.1 m -57.15 -25.39 58.83 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 169.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -57.73 -39.89 78.35 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.21 1.004 . . . . 0.0 112.499 176.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -72.58 -37.89 68.06 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.977 0.911 . . . . 0.0 111.982 175.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.64 -47.56 83.2 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.731 0.812 . . . . 0.0 111.919 175.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -58.1 -35.47 71.48 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 176.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.67 -24.67 67.88 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 175.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -95.96 -0.28 50.89 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.402 1.881 . . . . 0.0 112.951 174.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.45 9.64 75.32 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.95 1.262 . . . . 0.0 114.758 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -77.51 92.33 4.01 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.922 1.361 . . . . 0.0 109.625 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 m -128.99 159.73 34.97 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.928 1.691 . . . . 0.0 110.23 178.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 53.21 36.67 23.15 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.401 1.08 . . . . 0.0 113.758 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.9 mt -56.7 127.3 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.894 1.277 . . . . 0.0 110.133 -178.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -106.21 173.27 6.39 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.475 1.51 . . . . 0.0 111.77 175.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -50.69 132.87 26.21 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.766 0.827 . . . . 0.0 112.807 175.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.74 -20.76 36.89 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 124.739 1.161 . . . . 0.0 114.776 -176.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -81.64 154.94 71.22 Favored Pre-proline 0 CA--C 1.546 0.798 0 CA-C-N 119.486 1.643 . . . . 0.0 112.366 174.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -65.9 125.22 13.83 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.388 2.725 . . . . 0.0 111.912 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.42 -7.58 56.31 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 124.154 0.883 . . . . 0.0 114.453 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -56.38 -28.23 58.6 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 119.453 1.626 . . . . 0.0 113.111 172.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.62 153.73 43.23 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.624 1.169 . . . . 0.0 112.4 -178.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.05 -20.23 9.05 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 176.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -56.72 -25.55 54.74 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 127.275 2.23 . . . . 0.0 113.912 172.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' A' ' 32' ' ' PHE . 1.0 OUTLIER -111.42 -42.66 3.84 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.812 1.645 . . . . 0.0 112.047 177.692 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -99.87 95.22 6.75 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.435 1.094 . . . . 0.0 110.223 -174.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -46.98 -44.97 20.62 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.179 1.392 . . . . 0.0 113.447 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -78.42 -9.45 59.3 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.849 1.66 . . . . 0.0 113.984 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 36.89 42.74 0.25 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 128.587 2.755 . . . . 0.0 114.605 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -81.45 12.74 3.44 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.906 1.682 . . . . 0.0 114.004 -177.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.74 13.7 83.28 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.657 1.122 . . . . 0.0 113.947 -176.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.7 t -140.09 127.19 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 118.351 1.075 . . . . 0.0 109.244 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -114.78 141.48 47.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.88 0.848 . . . . 0.0 111.062 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.8 m 51.44 45.21 28.34 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 126.034 1.733 . . . . 0.0 113.101 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 pm0 -65.98 147.92 52.61 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 125.831 1.652 . . . . 0.0 115.192 178.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.2 mp -117.77 -33.63 4.46 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 125.531 1.532 . . . . 0.0 113.892 177.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -66.31 -41.0 90.33 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 125.597 1.559 . . . . 0.0 111.775 -175.527 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_