data_2bl6_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 2bl6 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.2 m -117.85 144.44 45.4 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.408 1.883 . . . . 0.0 109.722 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 t -63.76 148.94 47.94 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -175.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -66.63 -22.95 66.11 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 166.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -139.41 -39.62 0.47 Allowed 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -167.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.4 m -68.03 -25.65 65.48 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.11 0.868 . . . . 0.0 112.871 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.33 6.15 46.32 Favored Glycine 0 CA--C 1.54 1.635 0 C-N-CA 124.997 1.284 . . . . 0.0 114.842 -170.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.79 149.88 49.26 Favored Pre-proline 0 N--CA 1.474 0.745 0 C-N-CA 125.355 1.462 . . . . 0.0 111.935 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -72.08 -168.39 0.37 Allowed 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 124.029 3.153 . . . . 0.0 110.763 161.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 61.59 29.58 72.28 Favored Glycine 0 CA--C 1.534 1.28 0 O-C-N 120.857 -1.152 . . . . 0.0 113.317 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -116.23 151.36 35.91 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 125.319 1.448 . . . . 0.0 111.892 -172.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.2 mt -153.95 170.95 19.82 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 128.113 2.565 . . . . 0.0 108.694 -174.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.1 m -58.03 -2.74 0.18 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.984 2.114 . . . . 0.0 115.768 171.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.0 p -120.15 -13.95 8.89 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.062 2.145 . . . . 0.0 113.559 176.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -79.28 -40.14 31.24 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.163 0.985 . . . . 0.0 110.669 170.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.7 m -140.23 174.54 10.41 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.71 2.404 . . . . 0.0 110.31 173.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.43 -33.97 56.03 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.601 1.16 . . . . 0.0 113.476 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.55 159.99 29.58 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 125.692 1.597 . . . . 0.0 111.057 168.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -71.65 171.57 16.11 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 122.541 2.161 . . . . 0.0 111.044 159.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -53.85 -18.4 3.28 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 126.42 1.888 . . . . 0.0 115.711 -175.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.2 t -50.69 -33.77 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.304 1.842 . . . . 0.0 112.798 169.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 t -147.73 -154.66 0.57 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 126.323 1.849 . . . . 0.0 110.563 -175.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -140.52 -23.0 0.81 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.177 2.191 . . . . 0.0 113.095 171.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -155.67 -53.68 0.09 Allowed 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -176.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.29 -31.36 58.19 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 -171.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.2 pttm 44.16 24.11 0.08 Allowed 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 118.795 2.887 . . . . 0.0 118.795 164.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -67.92 152.66 96.21 Favored Pre-proline 0 CA--C 1.551 1.009 0 O-C-N 120.903 -1.123 . . . . 0.0 112.357 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -52.28 -21.95 14.49 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 125.221 3.947 . . . . 0.0 119.525 -167.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.31 3.61 0.47 Allowed Glycine 0 CA--C 1.536 1.4 0 N-CA-C 116.082 1.193 . . . . 0.0 116.082 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -63.2 -28.64 70.19 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.564 1.182 . . . . 0.0 114.075 -177.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -60.81 -41.69 96.2 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.289 1.036 . . . . 0.0 112.056 -170.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.6 m -60.26 -7.15 1.78 Allowed 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 176.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -134.18 13.33 3.89 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.152 1.781 . . . . 0.0 114.079 176.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -149.43 -54.85 0.17 Allowed 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 176.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.7 m -103.75 -4.05 24.17 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.959 1.303 . . . . 0.0 113.629 -168.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -152.1 19.33 0.67 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 127.053 2.141 . . . . 0.0 113.132 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 C--O 1.255 1.379 0 C-N-CA 127.036 2.134 . . . . 0.0 114.091 179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 m -51.05 133.11 27.77 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.215 1.406 . . . . 0.0 113.763 -172.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.1 t -54.43 150.56 8.79 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.052 1.741 . . . . 0.0 114.423 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -62.65 -21.47 65.72 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 166.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -132.57 -46.85 0.89 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.138 1.375 . . . . 0.0 113.247 -168.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 55.8 m -82.04 -10.1 59.33 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -167.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.85 31.3 71.57 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.675 1.131 . . . . 0.0 114.898 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -125.23 116.58 25.53 Favored Pre-proline 0 N--CA 1.476 0.842 0 C-N-CA 125.622 1.569 . . . . 0.0 110.772 -169.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -51.64 -32.13 43.5 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 125.179 3.919 . . . . 0.0 116.888 -177.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.09 35.63 1.28 Allowed Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.807 1.67 . . . . 0.0 115.33 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -105.19 154.29 20.4 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.805 1.242 . . . . 0.0 113.258 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.1 mt -154.18 172.84 16.94 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 129.153 2.981 . . . . 0.0 108.424 -174.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.1 m -54.89 -18.92 5.53 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.569 1.548 . . . . 0.0 114.842 170.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.3 p -97.95 -4.75 35.72 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.701 2.001 . . . . 0.0 114.075 176.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -105.64 -40.81 5.64 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.163 1.385 . . . . 0.0 111.456 -177.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.2 m -143.89 173.51 11.64 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.169 2.188 . . . . 0.0 110.644 167.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.62 -35.24 60.71 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.331 1.453 . . . . 0.0 113.663 175.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.51 160.94 25.82 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 124.564 1.146 . . . . 0.0 113.345 171.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -72.36 173.32 13.31 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 123.107 2.538 . . . . 0.0 111.514 158.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -58.13 -9.45 1.44 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 126.721 2.009 . . . . 0.0 115.766 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.8 t -54.62 -37.08 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.843 1.657 . . . . 0.0 112.521 165.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 t -148.62 -154.74 0.57 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.669 1.587 . . . . 0.0 110.951 -169.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -134.87 -20.64 1.73 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.709 2.004 . . . . 0.0 112.714 168.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -158.28 -51.49 0.07 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.425 1.09 . . . . 0.0 113.939 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -36.85 77.15 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.058 1.343 . . . . 0.0 114.409 -171.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 pttm 42.85 24.83 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 128.569 2.748 . . . . 0.0 118.295 170.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -68.37 152.34 96.64 Favored Pre-proline 0 CA--C 1.552 1.052 0 O-C-N 121.143 -0.973 . . . . 0.0 112.292 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_exo -52.3 -19.28 9.16 Favored 'Trans proline' 0 C--N 1.355 0.906 1 C-N-CA 125.575 4.183 . . . . 0.0 120.032 -167.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.11 1.11 0.24 Allowed Glycine 0 N--CA 1.478 1.471 0 N-CA-C 116.462 1.345 . . . . 0.0 116.462 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -64.18 -26.69 68.63 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -177.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -63.71 -41.65 98.07 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.542 1.137 . . . . 0.0 112.501 -169.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.0 m -63.66 -3.68 2.45 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -134.48 9.58 3.7 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.936 1.694 . . . . 0.0 114.092 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -151.02 -51.66 0.13 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 67.0 m -109.07 -17.35 13.91 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -164.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.89 2.59 2.17 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.658 1.983 . . . . 0.0 113.096 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.254 1.305 0 C-N-CA 127.264 2.226 . . . . 0.0 113.964 173.785 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 . . . . . 0 N--CA 1.485 1.304 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.7 m -49.38 140.33 10.44 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.099 1.36 . . . . 0.0 113.984 -173.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.4 t -59.91 152.96 22.17 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.648 1.579 . . . . 0.0 113.867 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -67.02 -15.18 63.56 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 165.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -137.09 -48.86 0.61 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.881 1.272 . . . . 0.0 113.224 -169.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.0 m -80.52 -10.6 59.74 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -167.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.48 28.9 68.21 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 124.692 1.139 . . . . 0.0 114.931 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -121.88 117.64 29.7 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 125.6 1.56 . . . . 0.0 110.807 -170.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.26 -31.61 47.18 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 125.056 3.837 . . . . 0.0 116.95 -176.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.56 31.02 1.22 Allowed Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.746 1.641 . . . . 0.0 115.544 -176.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -101.45 165.22 11.37 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.026 1.33 . . . . 0.0 113.359 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.6 mt -153.36 170.78 19.83 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 128.447 2.699 . . . . 0.0 108.522 -176.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.7 m -58.15 -2.03 0.16 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.451 1.901 . . . . 0.0 115.833 170.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.7 p -127.69 -12.68 5.42 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.025 2.13 . . . . 0.0 114.107 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -74.04 -35.86 64.36 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.17 0.895 . . . . 0.0 111.0 172.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 m -136.97 -179.79 5.91 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 127.649 2.38 . . . . 0.0 109.904 166.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -35.26 59.25 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.232 1.013 . . . . 0.0 112.898 176.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.3 160.55 28.41 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 125.62 1.568 . . . . 0.0 112.029 169.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -72.5 174.97 10.78 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 122.881 2.387 . . . . 0.0 111.009 159.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -53.44 -15.78 1.19 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 127.065 2.146 . . . . 0.0 115.531 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.8 t -54.39 -35.03 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.841 1.657 . . . . 0.0 112.927 168.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.1 t -150.29 -153.32 0.48 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.06 1.344 . . . . 0.0 111.348 -170.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -143.0 -18.0 0.66 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.439 2.295 . . . . 0.0 112.959 170.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -156.8 -62.65 0.1 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.827 1.251 . . . . 0.0 113.146 -174.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -73.47 -31.35 63.72 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.503 1.521 . . . . 0.0 114.621 -168.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.252 37.9 pttt 42.11 27.88 0.09 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 128.772 2.829 . . . . 0.0 118.256 165.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -69.82 153.08 95.81 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 124.336 1.054 . . . . 0.0 112.344 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -52.71 -20.33 12.4 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 125.28 3.987 . . . . 0.0 119.754 -168.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.44 1.49 0.29 Allowed Glycine 0 N--CA 1.478 1.487 0 N-CA-C 116.478 1.351 . . . . 0.0 116.478 -178.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -63.95 -27.47 69.16 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -64.23 -39.97 95.07 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.365 1.066 . . . . 0.0 112.988 -165.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.4 m -63.41 -5.44 3.63 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -133.63 12.42 4.08 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.009 1.723 . . . . 0.0 113.847 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -150.06 -46.73 0.13 Allowed 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 84.0 m -113.85 -27.75 7.65 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.639 0.978 . . . . 0.0 113.639 -164.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -123.29 -1.46 8.67 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 127.346 2.258 . . . . 0.0 112.482 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 p . . . . . 0 C--O 1.252 1.204 0 C-N-CA 126.932 2.093 . . . . 0.0 114.072 174.844 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.5 pm0 . . . . . 0 N--CA 1.484 1.274 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.0 m -51.89 136.86 27.65 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.346 1.458 . . . . 0.0 114.223 -170.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.2 t -57.28 151.58 15.66 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.859 1.664 . . . . 0.0 114.16 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -67.11 -15.26 63.6 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 165.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -134.54 -47.92 0.76 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.809 1.244 . . . . 0.0 113.07 -168.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.5 m -81.9 -9.68 59.52 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -167.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.1 34.01 71.57 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.547 1.07 . . . . 0.0 114.238 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -127.12 111.49 21.62 Favored Pre-proline 0 N--CA 1.474 0.75 0 C-N-CA 125.78 1.632 . . . . 0.0 110.658 -165.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -51.69 -32.47 45.4 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 124.98 3.786 . . . . 0.0 116.869 -176.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.69 34.18 1.2 Allowed Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.774 1.654 . . . . 0.0 115.34 -176.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.7 m80 -102.19 158.65 16.02 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.909 1.283 . . . . 0.0 113.525 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -153.33 169.35 23.31 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 128.981 2.912 . . . . 0.0 108.414 -172.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.9 m -56.74 -14.56 3.44 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 169.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.4 p -104.12 -8.47 19.44 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.657 1.983 . . . . 0.0 113.83 176.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -92.97 -41.45 10.0 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.562 1.145 . . . . 0.0 111.293 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.8 m -142.95 175.46 9.82 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 127.173 2.189 . . . . 0.0 110.703 168.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -36.33 60.72 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.022 1.329 . . . . 0.0 113.517 178.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.88 160.16 27.25 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 124.562 1.145 . . . . 0.0 112.922 173.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -73.18 173.22 14.04 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.845 2.363 . . . . 0.0 111.566 160.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -55.24 -12.64 1.03 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 127.35 2.26 . . . . 0.0 115.851 -177.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -56.32 -34.86 41.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 126.052 1.741 . . . . 0.0 112.724 167.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 t -149.63 -153.7 0.51 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.422 1.489 . . . . 0.0 111.062 -169.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -139.49 -17.98 0.99 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.985 2.114 . . . . 0.0 113.012 169.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -155.98 -59.28 0.1 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.315 1.046 . . . . 0.0 113.819 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.6 p -77.92 -29.68 50.2 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -168.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.8 pttm 43.14 26.65 0.09 Allowed 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 118.346 2.721 . . . . 0.0 118.346 165.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -68.17 152.7 96.3 Favored Pre-proline 0 CA--C 1.552 1.052 0 O-C-N 121.147 -0.971 . . . . 0.0 112.537 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -52.45 -18.84 8.78 Favored 'Trans proline' 0 CA--C 1.543 0.934 1 C-N-CA 125.545 4.164 . . . . 0.0 119.943 -167.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.75 1.6 0.27 Allowed Glycine 0 N--CA 1.477 1.403 0 N-CA-C 116.346 1.299 . . . . 0.0 116.346 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -64.16 -29.18 70.31 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.609 1.204 . . . . 0.0 113.939 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -63.29 -40.85 98.53 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.818 1.247 . . . . 0.0 112.672 -165.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.0 m -62.8 -4.8 2.29 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.27 1.428 . . . . 0.0 114.668 175.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -129.99 3.48 4.85 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.623 1.969 . . . . 0.0 113.014 -175.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -152.09 -64.44 0.17 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.111 0.964 . . . . 0.0 112.94 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 82.6 m -91.92 -16.43 26.64 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -164.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -144.83 15.47 1.56 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.056 1.742 . . . . 0.0 113.3 -171.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.9 m . . . . . 0 C--O 1.252 1.228 0 C-N-CA 127.669 2.388 . . . . 0.0 114.357 -178.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 . . . . . 0 N--CA 1.485 1.305 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.1 m -50.8 135.54 23.71 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.051 1.34 . . . . 0.0 113.724 -172.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.7 t -57.57 151.3 17.22 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.964 1.706 . . . . 0.0 114.308 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -66.76 -15.26 63.43 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 165.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -135.55 -47.73 0.69 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.776 1.23 . . . . 0.0 113.065 -169.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.0 m -83.19 -10.16 58.76 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -167.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.86 31.0 70.72 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 124.704 1.145 . . . . 0.0 114.821 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -125.53 117.77 24.77 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.71 1.604 . . . . 0.0 110.751 -169.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -52.11 -32.32 48.76 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 125.053 3.835 . . . . 0.0 116.906 -176.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.65 36.69 1.4 Allowed Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.684 1.611 . . . . 0.0 115.318 -175.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -105.86 153.57 21.76 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.818 1.247 . . . . 0.0 113.447 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.3 mt -155.89 173.88 16.13 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 129.509 3.123 . . . . 0.0 108.143 -175.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.0 m -54.07 -24.83 18.81 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 165.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.9 m -85.61 4.24 37.16 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.765 1.626 . . . . 0.0 113.946 175.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -124.59 -44.01 1.99 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.213 1.405 . . . . 0.0 111.902 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.8 m -143.15 174.58 10.57 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.69 1.996 . . . . 0.0 111.384 168.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -40.28 65.75 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.703 1.201 . . . . 0.0 113.037 177.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.49 159.1 30.95 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 124.645 1.178 . . . . 0.0 112.563 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -72.76 173.78 12.88 Favored 'Trans proline' 0 CA--C 1.544 1.001 0 C-N-CA 123.083 2.522 . . . . 0.0 111.575 161.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -54.6 -14.46 1.33 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.275 2.23 . . . . 0.0 115.602 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.0 t -53.54 -35.49 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.696 1.599 . . . . 0.0 112.684 167.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.5 t -150.23 -152.77 0.45 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.305 1.442 . . . . 0.0 111.154 -170.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -140.25 -20.34 0.86 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.973 2.109 . . . . 0.0 112.895 169.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -156.96 -57.52 0.09 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.496 1.119 . . . . 0.0 113.83 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.4 p -75.59 -30.16 59.52 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -169.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.3 pttt 42.43 27.04 0.07 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 128.676 2.79 . . . . 0.0 118.48 164.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -67.84 153.18 95.61 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 124.198 0.999 . . . . 0.0 112.529 177.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -51.74 -20.93 10.37 Favored 'Trans proline' 0 CA--C 1.542 0.923 1 C-N-CA 125.542 4.161 . . . . 0.0 119.842 -167.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.08 2.38 0.28 Allowed Glycine 0 N--CA 1.478 1.436 0 N-CA-C 116.337 1.295 . . . . 0.0 116.337 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -63.4 -29.79 71.02 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.585 1.192 . . . . 0.0 114.101 -177.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -62.3 -41.37 98.46 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.907 1.283 . . . . 0.0 113.101 -163.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.0 m -62.04 -8.76 5.78 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -127.22 7.57 6.52 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.652 1.981 . . . . 0.0 112.933 -176.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -149.38 -47.46 0.14 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.2 m -111.96 -24.38 9.98 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.15 0.98 . . . . 0.0 113.622 -164.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -125.75 11.59 7.85 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 127.965 2.506 . . . . 0.0 112.173 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.254 1.303 0 C-N-CA 127.573 2.349 . . . . 0.0 114.489 -177.786 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 . . . . . 0 N--CA 1.485 1.306 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 m -51.07 133.99 27.0 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.08 1.352 . . . . 0.0 113.832 -172.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.1 t -55.82 149.55 14.55 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.809 1.643 . . . . 0.0 114.147 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -63.03 -20.21 65.1 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 166.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -131.83 -48.73 0.95 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.087 1.355 . . . . 0.0 113.062 -169.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 m -81.38 -19.62 42.28 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -166.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.49 6.79 56.14 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.988 1.28 . . . . 0.0 115.779 -176.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.92 124.8 72.11 Favored Pre-proline 0 N--CA 1.48 1.048 0 CA-C-N 119.16 1.48 . . . . 0.0 110.587 176.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.88 -32.02 65.33 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 124.718 3.612 . . . . 0.0 115.998 174.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.24 36.42 1.75 Allowed Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.759 1.647 . . . . 0.0 115.209 -174.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -104.37 156.93 17.51 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 122.59 1.186 . . . . 0.0 113.472 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.2 mt -154.96 171.56 19.51 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 129.355 3.062 . . . . 0.0 108.208 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.8 m -56.67 -17.57 9.27 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.109 1.364 . . . . 0.0 114.607 169.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.3 p -96.21 -4.13 43.01 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.502 1.921 . . . . 0.0 113.934 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -106.68 -41.64 5.19 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.284 1.433 . . . . 0.0 111.146 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.2 m -143.72 174.45 10.79 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.585 2.354 . . . . 0.0 110.167 167.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -56.05 -31.96 63.62 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.819 1.247 . . . . 0.0 114.131 178.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.66 161.34 24.94 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 124.396 1.078 . . . . 0.0 113.427 170.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -71.51 169.6 20.54 Favored 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 123.013 2.475 . . . . 0.0 111.395 157.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -56.15 -16.68 5.56 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.449 1.9 . . . . 0.0 116.022 -173.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.37 -33.54 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.55 1.54 . . . . 0.0 112.529 169.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.9 t -148.92 -158.69 0.94 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.963 1.705 . . . . 0.0 110.945 -171.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -130.19 -17.88 3.37 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.143 2.177 . . . . 0.0 112.592 165.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -157.22 -61.68 0.09 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.705 1.202 . . . . 0.0 113.455 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.28 -32.61 74.12 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.815 1.646 . . . . 0.0 115.319 -169.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? 44.42 20.6 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 119.04 2.978 . . . . 0.0 119.04 170.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -65.26 151.66 93.48 Favored Pre-proline 0 CA--C 1.554 1.099 0 O-C-N 121.091 -1.006 . . . . 0.0 112.405 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -51.73 -23.84 16.54 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 125.19 3.926 . . . . 0.0 119.466 -166.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.28 4.06 0.58 Allowed Glycine 0 CA--C 1.536 1.385 0 N-CA-C 116.005 1.162 . . . . 0.0 116.005 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -64.2 -27.16 68.88 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -61.77 -41.73 98.08 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.954 0.902 . . . . 0.0 112.187 -169.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.6 m -60.38 -6.46 1.55 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -133.99 12.33 3.95 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.186 1.794 . . . . 0.0 114.035 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -150.34 -51.6 0.14 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 176.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.5 m -107.79 -3.33 19.15 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.926 1.29 . . . . 0.0 113.622 -168.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.8 tpp85 -152.64 19.37 0.62 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 127.195 2.198 . . . . 0.0 113.052 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.6 m . . . . . 0 C--O 1.251 1.16 0 C-N-CA 127.001 2.12 . . . . 0.0 114.088 -179.206 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 m -50.18 136.31 19.7 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.06 1.344 . . . . 0.0 113.717 -173.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.4 t -56.88 151.34 14.74 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.471 1.508 . . . . 0.0 114.193 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -66.78 -14.9 63.16 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 165.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -135.54 -47.79 0.69 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.909 1.284 . . . . 0.0 113.059 -169.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.6 m -82.88 -8.93 59.53 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -166.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.86 33.55 74.0 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.491 1.043 . . . . 0.0 114.493 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -127.47 111.29 21.03 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 125.821 1.648 . . . . 0.0 110.701 -166.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -50.63 -32.56 36.12 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 125.258 3.972 . . . . 0.0 117.046 -176.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.64 33.27 1.2 Allowed Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.773 1.654 . . . . 0.0 115.365 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -101.82 158.44 16.12 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.685 1.194 . . . . 0.0 113.436 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.5 mt -154.32 171.97 18.42 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 129.185 2.994 . . . . 0.0 108.248 -175.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.5 p -57.69 -18.13 19.08 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 167.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.8 p -93.0 -5.9 49.57 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.161 1.784 . . . . 0.0 114.085 173.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -104.72 -41.89 5.54 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.907 1.283 . . . . 0.0 111.562 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.4 m -142.55 174.82 10.29 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.045 2.138 . . . . 0.0 110.862 167.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -36.7 53.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.881 1.272 . . . . 0.0 113.41 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.19 159.47 28.91 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 124.866 1.267 . . . . 0.0 112.295 172.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -71.72 173.79 12.09 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.844 2.362 . . . . 0.0 111.178 159.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -54.58 -12.63 0.77 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 127.657 2.383 . . . . 0.0 115.619 -178.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.1 t -54.85 -37.28 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 126.3 1.84 . . . . 0.0 112.84 167.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.7 t -149.44 -157.24 0.8 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.589 1.555 . . . . 0.0 110.832 -170.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -137.85 -10.32 1.57 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.694 1.997 . . . . 0.0 112.865 168.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -158.65 -62.21 0.08 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.305 1.442 . . . . 0.0 112.624 -171.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -36.29 58.91 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.63 1.572 . . . . 0.0 113.671 -164.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.7 pttm 44.08 24.16 0.07 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 128.251 2.62 . . . . 0.0 117.686 171.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -70.23 150.77 95.97 Favored Pre-proline 0 CA--C 1.551 0.991 0 O-C-N 121.156 -0.965 . . . . 0.0 112.061 176.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_exo -52.46 -18.83 8.79 Favored 'Trans proline' 0 CA--C 1.543 0.93 1 C-N-CA 125.559 4.172 . . . . 0.0 119.906 -167.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -155.14 7.39 0.3 Allowed Glycine 0 CA--C 1.535 1.302 0 N-CA-C 116.246 1.258 . . . . 0.0 116.246 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -67.51 -30.81 70.58 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 118.863 1.331 . . . . 0.0 113.832 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -62.03 -41.78 98.47 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.237 1.415 . . . . 0.0 113.41 -163.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.1 m -63.97 -4.84 3.71 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -128.5 8.43 5.91 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.124 1.769 . . . . 0.0 113.331 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -150.9 -57.97 0.17 Allowed 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 67.2 m -101.43 -15.48 17.17 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -164.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.77 15.72 1.77 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.217 1.807 . . . . 0.0 113.041 -173.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 C--O 1.253 1.273 0 C-N-CA 127.689 2.395 . . . . 0.0 114.396 -179.156 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 110.532 -0.173 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.9 m -51.33 137.72 22.63 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.639 1.575 . . . . 0.0 114.611 -168.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.9 t -57.54 151.35 17.03 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.978 1.711 . . . . 0.0 114.293 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -67.61 -13.89 62.47 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 165.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -135.05 -48.32 0.73 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.84 1.256 . . . . 0.0 113.103 -169.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.7 m -81.81 -9.82 59.51 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -166.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.3 33.45 70.63 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.377 0.989 . . . . 0.0 114.337 -178.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -126.8 112.27 22.35 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 125.85 1.66 . . . . 0.0 110.458 -166.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -51.61 -31.75 41.57 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 124.931 3.754 . . . . 0.0 116.757 -177.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.5 38.92 1.23 Allowed Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.94 1.733 . . . . 0.0 115.234 -176.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -109.87 157.2 19.47 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.171 1.388 . . . . 0.0 113.574 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.4 mt -155.8 172.45 18.31 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 129.348 3.059 . . . . 0.0 108.476 -175.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.6 m -55.01 -18.4 5.1 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.424 1.489 . . . . 0.0 114.85 169.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.3 p -97.26 -6.3 34.82 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.506 1.922 . . . . 0.0 114.037 176.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -102.11 -40.84 6.64 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.735 1.214 . . . . 0.0 111.705 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.1 m -143.19 174.87 10.33 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.863 2.065 . . . . 0.0 111.069 167.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.42 -35.56 52.29 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.021 1.328 . . . . 0.0 113.49 178.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.49 159.79 28.18 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 124.424 1.089 . . . . 0.0 113.064 171.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -72.39 170.21 19.82 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.909 2.406 . . . . 0.0 111.306 158.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -53.06 -20.23 3.44 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.942 2.097 . . . . 0.0 115.495 -176.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.1 t -51.54 -32.49 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 126.317 1.847 . . . . 0.0 112.934 170.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 t -149.35 -156.78 0.75 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.056 1.743 . . . . 0.0 110.911 -171.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -136.76 -19.91 1.33 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.177 2.191 . . . . 0.0 113.02 169.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -156.0 -56.6 0.09 Allowed 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.25 -32.35 62.92 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -170.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 pttm 43.19 24.88 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 118.724 2.861 . . . . 0.0 118.724 165.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -67.76 152.52 96.26 Favored Pre-proline 0 CA--C 1.553 1.07 0 O-C-N 121.024 -1.048 . . . . 0.0 112.446 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -52.35 -20.31 11.25 Favored 'Trans proline' 0 CA--C 1.543 0.965 1 C-N-CA 125.371 4.047 . . . . 0.0 119.56 -168.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.4 2.39 0.4 Allowed Glycine 0 CA--C 1.535 1.317 0 N-CA-C 116.277 1.271 . . . . 0.0 116.277 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -62.93 -29.92 71.16 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.693 1.247 . . . . 0.0 113.848 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -61.85 -40.36 95.06 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.335 1.054 . . . . 0.0 112.187 -168.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.7 m -59.43 -7.53 1.41 Allowed 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 176.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -135.21 14.6 3.52 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.087 1.755 . . . . 0.0 114.072 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -149.66 -54.12 0.16 Allowed 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 175.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 67.9 m -106.13 -3.76 21.09 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.971 1.309 . . . . 0.0 113.655 -168.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -153.19 20.38 0.57 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 127.124 2.169 . . . . 0.0 113.011 -176.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.253 1.261 0 C-N-CA 127.103 2.161 . . . . 0.0 114.214 -179.429 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.0 m -50.63 136.84 20.79 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.736 1.215 . . . . 0.0 113.417 -174.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.5 t -57.61 151.11 17.77 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.429 1.492 . . . . 0.0 114.055 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -66.38 -14.8 62.65 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 165.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -136.08 -47.97 0.66 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.839 1.256 . . . . 0.0 113.141 -169.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.7 m -82.78 -9.08 59.51 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -166.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.02 33.28 73.52 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.458 1.028 . . . . 0.0 114.479 -178.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -126.53 112.35 23.02 Favored Pre-proline 0 CA--C 1.545 0.762 0 C-N-CA 125.86 1.664 . . . . 0.0 110.646 -166.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -51.39 -32.84 43.95 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 125.098 3.865 . . . . 0.0 116.937 -177.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.14 32.8 1.31 Allowed Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.744 1.64 . . . . 0.0 115.418 -176.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -100.53 157.67 16.49 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.742 1.217 . . . . 0.0 113.389 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.3 mt -154.55 171.56 19.22 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 128.824 2.85 . . . . 0.0 108.628 -173.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.7 m -55.29 -13.5 1.38 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.075 1.75 . . . . 0.0 115.523 171.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.8 p -108.84 -8.26 15.34 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.58 1.952 . . . . 0.0 113.747 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -92.55 -39.05 11.57 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.644 1.178 . . . . 0.0 111.278 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.1 m -142.79 176.09 9.32 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.182 2.193 . . . . 0.0 110.766 166.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -35.7 61.29 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.638 1.175 . . . . 0.0 113.295 176.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.81 159.93 27.43 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 124.759 1.224 . . . . 0.0 112.964 172.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.84 173.9 12.74 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 123.07 2.513 . . . . 0.0 111.46 159.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -53.96 -13.47 0.78 Allowed 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 128.019 2.528 . . . . 0.0 115.776 -178.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.1 -35.55 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 126.008 1.723 . . . . 0.0 112.723 167.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.4 t -150.04 -154.17 0.54 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 125.384 1.474 . . . . 0.0 111.181 -168.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -137.22 -20.9 1.21 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.621 1.968 . . . . 0.0 112.969 169.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -157.15 -55.23 0.08 Allowed 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.38 -31.25 62.3 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -170.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 pttm 42.82 26.78 0.08 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 128.473 2.709 . . . . 0.0 118.303 166.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -67.61 151.73 96.91 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 124.002 0.921 . . . . 0.0 112.357 177.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -51.8 -20.9 10.54 Favored 'Trans proline' 0 C--N 1.354 0.868 1 C-N-CA 125.496 4.131 . . . . 0.0 119.806 -167.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.47 8.72 0.38 Allowed Glycine 0 N--CA 1.475 1.293 0 N-CA-C 116.143 1.217 . . . . 0.0 116.143 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -68.01 -31.35 70.97 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.745 1.273 . . . . 0.0 113.723 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -62.16 -40.25 95.37 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.191 1.396 . . . . 0.0 113.273 -163.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.7 m -63.47 -6.14 4.63 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -128.09 8.08 6.1 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.183 1.793 . . . . 0.0 113.231 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -149.71 -65.88 0.21 Allowed 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.009 0.822 . . . . 0.0 112.923 177.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 73.5 m -91.09 -16.8 27.24 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -165.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.14 15.96 1.89 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.999 1.719 . . . . 0.0 113.326 -172.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.252 1.233 0 C-N-CA 127.474 2.309 . . . . 0.0 114.361 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.4 m -50.46 135.11 22.92 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.853 1.261 . . . . 0.0 113.61 -172.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.0 t -56.93 151.13 15.29 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.59 1.556 . . . . 0.0 114.445 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -66.41 -16.1 63.82 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 165.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -136.19 -47.65 0.65 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.844 1.258 . . . . 0.0 113.046 -168.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 54.0 m -82.4 -9.82 59.3 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -167.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.51 31.53 70.83 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.751 1.167 . . . . 0.0 114.676 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -125.58 115.97 24.94 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 125.779 1.631 . . . . 0.0 110.723 -167.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -51.82 -33.07 49.16 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 125.084 3.856 . . . . 0.0 116.891 -177.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.24 36.85 1.32 Allowed Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.937 1.732 . . . . 0.0 115.345 -175.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -106.63 156.35 18.7 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.902 1.281 . . . . 0.0 113.253 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.0 mt -155.43 173.66 16.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 129.434 3.094 . . . . 0.0 108.121 -176.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.1 p -57.85 -19.76 31.41 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 167.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.5 p -87.85 -3.44 58.94 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.184 1.794 . . . . 0.0 114.229 172.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -114.26 -40.35 3.69 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.307 1.443 . . . . 0.0 111.797 -175.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.4 m -143.58 172.44 12.8 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.882 2.073 . . . . 0.0 110.767 168.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.89 -34.72 60.3 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.321 1.448 . . . . 0.0 113.78 176.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.81 160.26 27.39 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 124.802 1.241 . . . . 0.0 112.526 171.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -73.44 175.3 10.82 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 123.053 2.502 . . . . 0.0 111.399 159.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -53.27 -14.47 0.72 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 127.84 2.456 . . . . 0.0 115.66 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.1 t -55.1 -36.2 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.844 1.658 . . . . 0.0 112.722 167.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 t -149.77 -154.02 0.53 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.47 1.508 . . . . 0.0 111.056 -169.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -139.1 -18.55 1.01 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.91 2.084 . . . . 0.0 113.054 169.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -156.61 -58.98 0.09 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.366 1.067 . . . . 0.0 113.798 -177.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -76.1 -30.04 58.13 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -169.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 pttm 43.27 26.52 0.1 Allowed 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 118.187 2.662 . . . . 0.0 118.187 166.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -68.24 152.93 96.18 Favored Pre-proline 0 CA--C 1.551 0.993 0 O-C-N 121.126 -0.984 . . . . 0.0 112.592 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -52.4 -19.79 10.4 Favored 'Trans proline' 0 CA--C 1.542 0.906 1 C-N-CA 125.495 4.13 . . . . 0.0 119.934 -167.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.1 2.1 0.27 Allowed Glycine 0 CA--C 1.537 1.437 0 N-CA-C 116.318 1.287 . . . . 0.0 116.318 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -64.23 -27.67 69.22 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.553 1.177 . . . . 0.0 114.146 -177.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -63.78 -41.74 97.88 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.586 1.155 . . . . 0.0 112.628 -167.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.9 m -63.88 -5.07 3.83 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -134.17 11.3 3.87 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.119 1.767 . . . . 0.0 113.967 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -149.66 -66.98 0.21 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.733 0.813 . . . . 0.0 112.51 175.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 80.6 m -90.21 -16.28 29.74 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -166.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.85 15.77 1.76 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.005 1.722 . . . . 0.0 113.326 -171.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.251 1.176 0 C-N-CA 127.625 2.37 . . . . 0.0 114.282 -179.536 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 85.1 m -120.21 144.26 47.82 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.127 1.771 . . . . 0.0 109.511 -177.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.8 t -64.3 149.76 47.48 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -172.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -70.27 -17.16 63.1 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 165.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -137.47 -49.44 0.6 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.519 1.128 . . . . 0.0 113.288 -166.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.8 m -72.4 -22.02 61.18 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.655 1.182 . . . . 0.0 113.067 -174.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.63 5.6 45.59 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 125.169 1.366 . . . . 0.0 114.941 -172.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.9 150.13 49.51 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.338 1.455 . . . . 0.0 111.923 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.97 -169.23 0.43 Allowed 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 124.077 3.185 . . . . 0.0 110.729 161.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.1 29.31 72.43 Favored Glycine 0 CA--C 1.535 1.301 0 O-C-N 120.869 -1.144 . . . . 0.0 113.607 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -113.18 144.94 41.82 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.269 1.428 . . . . 0.0 112.026 -173.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.1 mt -155.94 173.49 16.7 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 128.481 2.712 . . . . 0.0 108.789 -171.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 m -54.46 -20.29 7.31 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.52 1.528 . . . . 0.0 114.607 168.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.1 p -93.3 -4.1 52.35 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.493 1.917 . . . . 0.0 114.208 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -109.59 -41.65 4.51 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.338 1.455 . . . . 0.0 111.389 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.3 m -143.24 170.86 14.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.406 2.282 . . . . 0.0 110.564 174.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -56.15 -31.6 63.51 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.805 1.242 . . . . 0.0 113.849 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.84 160.85 29.08 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.122 1.369 . . . . 0.0 111.827 166.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -72.39 174.6 11.29 Favored 'Trans proline' 0 CA--C 1.547 1.139 0 C-N-CA 122.766 2.311 . . . . 0.0 111.413 159.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -53.7 -13.12 0.61 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 127.676 2.39 . . . . 0.0 115.953 -178.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -55.78 -36.41 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 126.009 1.724 . . . . 0.0 112.74 167.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.4 t -149.73 -152.22 0.43 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.519 1.528 . . . . 0.0 110.92 -169.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -139.46 -21.65 0.91 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.75 2.02 . . . . 0.0 113.006 169.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -156.08 -55.99 0.09 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.2 p -76.25 -31.14 58.17 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -170.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.5 pttm 42.67 27.2 0.09 Allowed 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 118.453 2.76 . . . . 0.0 118.453 165.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -68.12 153.23 95.71 Favored Pre-proline 0 CA--C 1.553 1.076 0 O-C-N 121.116 -0.99 . . . . 0.0 112.546 177.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -52.34 -19.29 9.29 Favored 'Trans proline' 0 CA--C 1.544 0.993 1 C-N-CA 125.555 4.17 . . . . 0.0 119.983 -167.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.7 1.09 0.26 Allowed Glycine 0 CA--C 1.536 1.37 0 N-CA-C 116.325 1.29 . . . . 0.0 116.325 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -63.54 -28.0 69.65 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 118.663 1.231 . . . . 0.0 113.956 -177.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -62.42 -41.36 98.64 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.498 1.119 . . . . 0.0 112.221 -170.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.3 m -63.99 -3.75 2.83 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.501 1.52 . . . . 0.0 114.976 176.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -135.11 9.63 3.51 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.907 1.683 . . . . 0.0 114.348 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -150.52 -59.14 0.18 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 79.6 m -100.26 -17.69 17.2 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -165.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.32 3.79 1.96 Allowed 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 126.17 1.788 . . . . 0.0 113.398 -176.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 C--O 1.252 1.195 0 C-N-CA 127.172 2.189 . . . . 0.0 114.021 174.395 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.9 m -51.04 132.96 27.85 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.341 1.457 . . . . 0.0 114.241 -170.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.3 t -53.58 147.28 11.43 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.441 1.497 . . . . 0.0 113.973 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.41 -15.21 60.15 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 167.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -140.2 -40.54 0.43 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -172.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.9 m -75.54 -15.9 60.33 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -177.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.87 32.39 74.76 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.238 0.923 . . . . 0.0 114.339 -175.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -123.28 114.78 28.97 Favored Pre-proline 0 N--CA 1.475 0.806 0 C-N-CA 125.804 1.642 . . . . 0.0 110.948 -167.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 99.6 Cg_exo -51.29 -34.18 48.48 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 125.239 3.96 . . . . 0.0 117.112 -175.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.0 31.47 1.31 Allowed Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.623 1.582 . . . . 0.0 115.509 -175.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -98.46 156.3 16.83 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 122.514 1.149 . . . . 0.0 113.504 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.2 mt -153.86 172.3 17.59 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 128.757 2.823 . . . . 0.0 108.735 -173.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.2 m -54.45 -12.58 0.72 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.623 1.969 . . . . 0.0 116.042 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.0 m -120.27 2.27 10.83 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.841 1.657 . . . . 0.0 113.377 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -93.28 -42.43 9.33 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.282 1.033 . . . . 0.0 110.803 174.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.1 m -142.06 178.13 7.74 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.568 2.347 . . . . 0.0 109.997 164.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -36.72 63.58 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.579 1.152 . . . . 0.0 113.465 178.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.73 160.49 25.4 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 124.587 1.155 . . . . 0.0 113.303 173.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -71.89 169.48 21.14 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 122.959 2.44 . . . . 0.0 111.186 158.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -59.49 -4.75 0.66 Allowed 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 116.693 2.108 . . . . 0.0 116.693 -177.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.4 t -56.52 -34.6 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.317 1.447 . . . . 0.0 111.999 163.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 t -148.83 -155.55 0.64 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.878 1.671 . . . . 0.0 111.018 -170.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -135.58 -19.82 1.61 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.563 1.945 . . . . 0.0 112.992 168.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -157.16 -55.45 0.08 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.52 -30.37 61.76 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -170.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.2 pttm 42.74 26.63 0.07 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 118.468 2.766 . . . . 0.0 118.468 166.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -67.73 152.09 96.61 Favored Pre-proline 0 CA--C 1.552 1.038 0 O-C-N 121.149 -0.969 . . . . 0.0 112.449 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -51.75 -20.71 10.03 Favored 'Trans proline' 0 C--N 1.356 0.936 1 C-N-CA 125.493 4.129 . . . . 0.0 119.901 -167.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.25 4.09 0.33 Allowed Glycine 0 N--CA 1.478 1.448 0 N-CA-C 116.299 1.28 . . . . 0.0 116.299 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -65.43 -30.13 70.9 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.767 1.284 . . . . 0.0 113.951 -177.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -61.82 -39.29 91.26 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.026 1.33 . . . . 0.0 113.103 -164.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.2 m -62.93 -5.53 2.99 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.188 1.395 . . . . 0.0 114.725 176.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -126.6 3.67 6.82 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.221 1.809 . . . . 0.0 113.434 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -150.47 -63.56 0.2 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.657 0.783 . . . . 0.0 112.94 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 66.6 m -91.62 -17.54 25.4 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -165.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.99 15.58 1.91 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.077 1.751 . . . . 0.0 113.292 -171.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--O 1.253 1.24 0 C-N-CA 127.537 2.335 . . . . 0.0 114.32 -179.865 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 . . . . . 0 N--CA 1.485 1.317 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 m -51.31 135.32 26.87 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.077 1.351 . . . . 0.0 113.921 -171.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.9 t -55.53 151.28 10.72 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.872 1.669 . . . . 0.0 114.065 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -65.57 -15.8 63.07 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 165.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -136.07 -49.75 0.69 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.895 1.278 . . . . 0.0 113.145 -168.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.3 m -81.16 -19.28 43.76 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -166.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.12 5.75 54.53 Favored Glycine 0 CA--C 1.541 1.668 0 C-N-CA 125.026 1.298 . . . . 0.0 115.866 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.31 123.6 74.83 Favored Pre-proline 0 N--CA 1.479 1.024 0 CA-C-N 119.196 1.498 . . . . 0.0 110.682 176.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -53.9 -31.78 64.47 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 124.725 3.617 . . . . 0.0 115.874 174.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.45 32.68 1.6 Allowed Glycine 0 CA--C 1.535 1.341 0 C-N-CA 125.775 1.655 . . . . 0.0 115.313 -175.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -96.9 156.25 16.43 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 122.538 1.161 . . . . 0.0 113.41 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.7 mt -153.12 170.5 20.36 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 128.797 2.839 . . . . 0.0 108.624 -173.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.2 m -55.71 -12.99 1.44 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.206 1.802 . . . . 0.0 115.689 173.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.7 p -111.48 -8.95 14.24 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.434 1.894 . . . . 0.0 113.769 177.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -86.74 -41.55 14.04 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.413 1.085 . . . . 0.0 110.861 176.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.9 m -144.3 175.29 10.2 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.849 2.459 . . . . 0.0 110.108 168.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -55.88 -33.68 64.8 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.099 1.36 . . . . 0.0 113.941 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.71 161.02 25.36 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 124.365 1.066 . . . . 0.0 113.325 172.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -73.16 174.2 12.43 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 123.247 2.632 . . . . 0.0 111.647 158.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -55.62 -10.42 0.68 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 127.134 2.173 . . . . 0.0 115.802 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.8 t -56.67 -36.06 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.686 1.594 . . . . 0.0 112.344 166.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.2 t -149.31 -152.8 0.46 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.511 1.524 . . . . 0.0 111.051 -169.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -137.91 -22.06 1.08 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.744 2.017 . . . . 0.0 112.852 169.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -157.27 -53.9 0.08 Allowed 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.09 -31.45 62.83 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -170.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 pttm 42.84 25.89 0.06 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 118.509 2.781 . . . . 0.0 118.509 166.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -67.22 152.56 95.98 Favored Pre-proline 0 CA--C 1.551 1.017 0 O-C-N 121.17 -0.956 . . . . 0.0 112.45 177.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -52.23 -19.13 8.67 Favored 'Trans proline' 0 CA--C 1.544 0.993 1 C-N-CA 125.578 4.185 . . . . 0.0 120.009 -167.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.64 -0.01 0.24 Allowed Glycine 0 CA--C 1.538 1.492 0 N-CA-C 116.28 1.272 . . . . 0.0 116.28 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -62.77 -29.2 70.52 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.691 1.246 . . . . 0.0 114.082 -177.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -61.53 -41.75 97.81 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.042 1.337 . . . . 0.0 112.494 -167.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.5 m -62.02 -5.74 2.41 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.229 1.412 . . . . 0.0 114.725 175.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -128.1 2.2 5.85 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.69 1.996 . . . . 0.0 113.444 -176.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -151.29 -56.2 0.15 Allowed 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 82.0 m -101.3 -18.65 16.0 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -165.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -139.4 4.3 2.18 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.702 2.001 . . . . 0.0 112.963 -176.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.2 p . . . . . 0 C--O 1.254 1.327 0 C-N-CA 127.29 2.236 . . . . 0.0 113.935 174.462 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 91.0 m -125.29 142.87 51.25 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.007 1.723 . . . . 0.0 109.722 -176.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 t -63.65 149.25 46.94 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 -172.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -67.42 -22.3 65.53 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 166.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -139.71 -39.75 0.46 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -167.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.4 m -69.52 -22.37 63.59 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.079 0.952 . . . . 0.0 113.056 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.5 2.27 20.16 Favored Glycine 0 CA--C 1.542 1.72 0 C-N-CA 125.267 1.413 . . . . 0.0 114.864 -170.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -83.67 146.22 49.28 Favored Pre-proline 0 N--CA 1.472 0.651 0 C-N-CA 125.63 1.572 . . . . 0.0 112.345 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -70.23 -171.1 0.47 Allowed 'Trans proline' 0 CA--C 1.545 1.047 0 C-N-CA 123.739 2.959 . . . . 0.0 111.015 161.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.07 29.77 73.69 Favored Glycine 0 CA--C 1.535 1.283 0 O-C-N 120.848 -1.157 . . . . 0.0 113.538 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -113.81 146.16 40.37 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 125.256 1.423 . . . . 0.0 112.145 -173.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.1 mt -155.56 173.38 16.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 128.429 2.691 . . . . 0.0 108.932 -171.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.8 m -54.95 -20.27 8.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.45 1.5 . . . . 0.0 114.624 168.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.7 p -92.74 -5.4 51.32 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.412 1.885 . . . . 0.0 114.126 175.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -107.36 -41.55 5.06 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.252 1.421 . . . . 0.0 111.294 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.7 m -143.8 171.32 14.38 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.452 2.301 . . . . 0.0 110.674 174.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -55.03 -32.21 61.67 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.949 1.299 . . . . 0.0 113.879 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.72 160.0 29.44 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 124.779 1.232 . . . . 0.0 111.956 167.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -72.38 173.85 12.48 Favored 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 122.794 2.329 . . . . 0.0 111.233 158.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -55.35 -12.07 0.96 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 127.112 2.165 . . . . 0.0 115.918 -176.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.1 t -55.31 -36.2 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.826 1.65 . . . . 0.0 112.703 167.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.5 t -150.26 -153.97 0.52 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.376 1.47 . . . . 0.0 111.271 -169.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -138.49 -19.2 1.08 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.853 2.061 . . . . 0.0 112.975 169.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -155.38 -59.01 0.1 Allowed 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -176.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.9 p -79.29 -28.74 42.27 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -169.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.4 pttm 42.87 28.56 0.14 Allowed 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 118.126 2.639 . . . . 0.0 118.126 164.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -67.93 152.18 96.59 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 123.949 0.9 . . . . 0.0 112.385 177.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -51.99 -21.8 13.07 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 125.289 3.993 . . . . 0.0 119.696 -167.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.71 8.59 0.45 Allowed Glycine 0 N--CA 1.477 1.367 0 N-CA-C 116.024 1.17 . . . . 0.0 116.024 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -67.66 -30.77 70.41 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.707 1.253 . . . . 0.0 113.658 -178.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -62.62 -40.64 97.61 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.873 1.269 . . . . 0.0 113.34 -161.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.7 m -63.31 -5.25 3.24 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 176.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -128.03 7.79 6.1 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.273 1.829 . . . . 0.0 113.282 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -150.2 -62.86 0.21 Allowed 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.155 0.889 . . . . 0.0 113.197 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 85.0 m -95.35 -15.87 22.78 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 -165.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.0 15.49 1.91 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.127 1.771 . . . . 0.0 113.259 -172.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.255 1.385 0 C-N-CA 127.632 2.373 . . . . 0.0 114.382 -179.575 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.713 0.292 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 93.8 m -123.4 145.55 48.69 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.652 1.981 . . . . 0.0 109.427 -175.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 t -64.74 150.67 46.9 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -175.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -70.35 -18.14 63.07 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 165.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -140.7 -43.63 0.4 Allowed 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -166.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.0 m -69.2 -21.49 63.95 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.134 0.973 . . . . 0.0 113.474 -177.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.87 23.7 71.09 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 124.225 0.917 . . . . 0.0 113.953 -172.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -111.73 146.83 35.53 Favored Pre-proline 0 N--CA 1.475 0.812 0 C-N-CA 125.829 1.652 . . . . 0.0 111.936 -174.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -72.28 -168.98 0.42 Allowed 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 123.968 3.112 . . . . 0.0 110.638 163.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 61.47 29.33 71.39 Favored Glycine 0 CA--C 1.535 1.285 0 O-C-N 120.925 -1.11 . . . . 0.0 113.136 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -115.65 150.94 35.93 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.358 1.463 . . . . 0.0 111.681 -173.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.3 mt -153.78 171.2 19.27 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.921 2.488 . . . . 0.0 108.844 -173.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 m -57.01 -3.46 0.12 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.303 2.241 . . . . 0.0 115.886 171.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.0 p -122.25 -13.22 8.15 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.009 2.124 . . . . 0.0 113.662 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -78.13 -39.46 41.15 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.02 0.928 . . . . 0.0 110.644 170.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.9 m -139.88 174.37 10.58 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.629 2.372 . . . . 0.0 110.263 173.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -34.07 57.22 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.539 1.135 . . . . 0.0 113.236 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.94 160.02 30.11 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.661 1.584 . . . . 0.0 111.075 167.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.18 175.71 9.53 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 122.61 2.207 . . . . 0.0 111.287 159.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -53.1 -14.45 0.64 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 127.483 2.313 . . . . 0.0 115.602 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.9 t -54.13 -37.12 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.14 1.776 . . . . 0.0 112.955 167.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.6 t -149.61 -152.28 0.43 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.436 1.494 . . . . 0.0 111.083 -169.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -141.51 -23.35 0.73 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.85 2.06 . . . . 0.0 112.972 170.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -155.28 -54.69 0.09 Allowed 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.201 1.185 . . . . 0.0 114.201 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.1 p -76.86 -30.02 56.1 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -170.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.0 pttm 43.6 26.75 0.13 Allowed 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 118.359 2.725 . . . . 0.0 118.359 164.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -68.42 152.71 96.42 Favored Pre-proline 0 CA--C 1.552 1.033 0 O-C-N 121.151 -0.968 . . . . 0.0 112.576 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -52.48 -19.57 10.23 Favored 'Trans proline' 0 CA--C 1.544 1.0 1 C-N-CA 125.553 4.168 . . . . 0.0 119.901 -167.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.66 1.63 0.28 Allowed Glycine 0 N--CA 1.478 1.442 0 N-CA-C 116.317 1.287 . . . . 0.0 116.317 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -63.51 -28.52 70.01 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.611 1.206 . . . . 0.0 114.213 -177.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -61.4 -42.74 99.21 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.85 1.26 . . . . 0.0 112.596 -170.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.5 m -64.47 -6.09 6.65 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -129.98 7.07 5.08 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.959 1.704 . . . . 0.0 113.795 176.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -147.18 -88.18 0.09 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.655 1.182 . . . . 0.0 110.871 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.1 m -69.41 -18.49 63.76 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -166.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.89 13.74 2.68 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.959 1.704 . . . . 0.0 113.158 -174.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--O 1.254 1.338 0 C-N-CA 126.791 2.037 . . . . 0.0 112.832 178.137 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.6 m -51.63 134.08 30.18 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.244 1.418 . . . . 0.0 114.102 -171.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.0 t -54.51 151.53 7.75 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.996 1.718 . . . . 0.0 114.104 178.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -61.7 -23.68 66.27 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 166.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -131.57 -47.06 0.97 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.094 1.358 . . . . 0.0 113.272 -168.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.3 m -77.59 -10.1 59.31 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -167.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.98 33.15 72.69 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.64 1.114 . . . . 0.0 114.179 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -126.25 112.64 23.7 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 125.761 1.624 . . . . 0.0 110.579 -166.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -51.99 -32.88 50.05 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 124.867 3.711 . . . . 0.0 116.632 -176.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.64 32.59 1.2 Allowed Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.747 1.642 . . . . 0.0 115.472 -176.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -100.25 158.22 16.03 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.698 1.237 . . . . 0.0 113.366 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -152.1 169.71 21.73 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 129.686 3.194 . . . . 0.0 107.58 -177.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 m -57.71 -11.84 2.48 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 172.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.2 p -102.8 -10.97 18.66 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.64 1.976 . . . . 0.0 113.966 175.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -90.57 -43.91 9.9 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.936 1.294 . . . . 0.0 110.856 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 55.7 m -140.73 168.72 19.13 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.221 2.609 . . . . 0.0 108.297 162.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -27.8 52.42 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -177.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.33 153.06 19.19 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 124.563 1.145 . . . . 0.0 112.784 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.0 173.18 14.92 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 123.752 2.968 . . . . 0.0 111.674 163.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -57.02 -15.06 4.31 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 -176.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.2 t -52.38 -32.46 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 125.652 1.581 . . . . 0.0 112.451 168.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.1 t -146.64 -159.99 1.1 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.248 1.819 . . . . 0.0 110.79 -173.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -137.24 -7.13 1.78 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.215 2.206 . . . . 0.0 113.074 168.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -162.98 -61.45 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.087 1.355 . . . . 0.0 113.267 -178.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.75 -33.91 66.67 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.391 1.876 . . . . 0.0 114.981 -167.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.8 pttm 44.05 22.84 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 128.499 2.72 . . . . 0.0 118.209 169.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -67.82 151.99 96.72 Favored Pre-proline 0 CA--C 1.552 1.022 0 O-C-N 121.091 -1.005 . . . . 0.0 112.153 177.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -51.45 -23.91 15.33 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 125.246 3.964 . . . . 0.0 119.492 -166.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.49 5.94 0.55 Allowed Glycine 0 N--CA 1.476 1.347 0 N-CA-C 115.942 1.137 . . . . 0.0 115.942 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -64.05 -30.64 71.7 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.602 1.201 . . . . 0.0 113.827 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -61.02 -41.99 97.6 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.685 1.194 . . . . 0.0 112.619 -167.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.5 m -60.72 -5.96 1.51 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 175.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.12 6.61 5.95 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.815 2.046 . . . . 0.0 113.134 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -151.21 -55.46 0.15 Allowed 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 60.3 m -100.82 -4.47 27.89 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.246 1.418 . . . . 0.0 113.769 -168.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -152.09 18.96 0.67 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.017 2.127 . . . . 0.0 113.139 -175.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.3 m . . . . . 0 C--O 1.254 1.313 0 C-N-CA 126.868 2.067 . . . . 0.0 114.116 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 m -52.37 135.31 33.32 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.014 1.325 . . . . 0.0 113.96 -170.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.9 t -56.24 147.09 21.66 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.177 1.391 . . . . 0.0 113.814 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -13.88 56.2 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 166.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -134.79 -50.24 0.77 Allowed 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.975 1.31 . . . . 0.0 113.015 -171.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.0 m -80.98 -20.0 42.83 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -167.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.35 5.78 55.81 Favored Glycine 0 CA--C 1.542 1.743 0 C-N-CA 125.062 1.315 . . . . 0.0 116.025 -177.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.13 121.67 77.22 Favored Pre-proline 0 N--CA 1.481 1.083 0 CA-C-N 119.2 1.5 . . . . 0.0 110.77 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -54.25 -32.71 72.31 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 124.481 3.454 . . . . 0.0 115.946 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.01 20.32 3.07 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.571 1.558 . . . . 0.0 115.573 -176.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -79.74 161.94 25.45 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 122.536 1.16 . . . . 0.0 113.42 173.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -150.34 171.25 17.28 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 128.266 2.626 . . . . 0.0 109.054 -174.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.1 t -55.07 -15.4 2.1 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.029 1.731 . . . . 0.0 115.159 174.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.0 p -117.47 -8.04 11.05 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.601 1.961 . . . . 0.0 114.334 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -77.56 -40.12 43.52 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.016 0.826 . . . . 0.0 111.149 176.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.1 m -140.04 178.56 7.18 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.988 2.515 . . . . 0.0 109.39 164.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.96 -38.83 62.47 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.268 1.027 . . . . 0.0 113.26 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.53 160.18 29.54 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 124.998 1.319 . . . . 0.0 112.529 173.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -71.56 170.63 18.08 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 122.933 2.422 . . . . 0.0 111.119 159.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -58.57 -6.08 0.66 Allowed 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 116.668 2.099 . . . . 0.0 116.668 -177.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.4 t -56.91 -35.07 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.306 1.443 . . . . 0.0 112.129 164.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.0 t -147.88 -154.46 0.55 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.787 1.635 . . . . 0.0 110.862 -172.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -139.84 -19.72 0.91 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.904 2.082 . . . . 0.0 112.831 169.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -158.0 -55.34 0.07 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.555 1.142 . . . . 0.0 113.711 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -33.12 68.68 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.25 1.42 . . . . 0.0 114.739 -170.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.3 pttt 42.89 26.25 0.07 Allowed 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 128.588 2.755 . . . . 0.0 118.375 167.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -70.16 152.62 95.69 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 124.105 0.962 . . . . 0.0 112.324 176.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.01 -19.44 11.54 Favored 'Trans proline' 0 C--N 1.356 0.949 1 C-N-CA 125.332 4.021 . . . . 0.0 119.786 -168.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.86 0.78 0.24 Allowed Glycine 0 N--CA 1.478 1.453 0 N-CA-C 116.352 1.301 . . . . 0.0 116.352 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -63.29 -28.51 70.07 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.631 1.216 . . . . 0.0 114.276 -177.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -62.55 -40.85 98.14 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.88 1.272 . . . . 0.0 112.894 -167.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.9 m -63.47 -4.45 2.78 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.04 1.336 . . . . 0.0 114.602 175.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -129.71 3.83 4.99 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.546 1.938 . . . . 0.0 112.955 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -152.08 -63.11 0.17 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.178 0.991 . . . . 0.0 112.883 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 62.9 m -91.91 -17.89 24.55 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -164.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -144.16 14.29 1.65 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.066 1.746 . . . . 0.0 113.197 -170.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.254 1.31 0 C-N-CA 127.684 2.394 . . . . 0.0 114.464 -178.854 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.5 m -51.01 136.99 22.19 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.895 1.278 . . . . 0.0 113.519 -174.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.64 150.69 22.57 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.346 1.458 . . . . 0.0 114.013 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -66.25 -15.66 63.38 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 165.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -135.0 -48.39 0.73 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.957 1.303 . . . . 0.0 113.015 -168.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 54.9 m -82.05 -9.84 59.42 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -168.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.59 33.67 73.07 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.74 1.162 . . . . 0.0 114.567 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 tpmt? -126.2 115.43 23.7 Favored Pre-proline 0 N--CA 1.475 0.798 0 C-N-CA 125.237 1.415 . . . . 0.0 111.125 -169.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -51.81 -32.77 47.74 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 125.042 3.828 . . . . 0.0 117.125 -176.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.1 24.5 1.66 Allowed Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.44 1.495 . . . . 0.0 115.562 -176.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -89.32 161.32 16.42 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.581 1.181 . . . . 0.0 113.622 177.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -151.12 169.6 21.46 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 128.746 2.818 . . . . 0.0 108.728 -174.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.1 p -58.33 -11.82 3.15 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 169.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.8 p -108.28 -10.56 15.35 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.52 1.928 . . . . 0.0 113.865 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -86.79 -38.68 16.64 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.406 1.082 . . . . 0.0 111.36 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.2 m -142.47 176.08 9.29 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.334 2.253 . . . . 0.0 110.721 167.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -35.27 59.2 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.75 1.22 . . . . 0.0 113.425 177.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.23 160.2 26.49 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 124.711 1.204 . . . . 0.0 112.547 171.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -71.75 172.75 13.83 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 122.85 2.367 . . . . 0.0 111.322 158.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -55.32 -13.8 1.54 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 127.462 2.305 . . . . 0.0 115.537 -178.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.03 -34.64 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 126.005 1.722 . . . . 0.0 112.603 166.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.4 t -149.27 -152.71 0.45 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.517 1.527 . . . . 0.0 111.051 -170.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -140.2 -22.14 0.84 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.793 2.037 . . . . 0.0 112.903 170.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -156.74 -53.97 0.08 Allowed 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.58 -31.36 62.04 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -171.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.9 pttm 43.31 25.76 0.08 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 118.434 2.753 . . . . 0.0 118.434 165.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -68.08 152.3 96.56 Favored Pre-proline 0 CA--C 1.554 1.108 0 O-C-N 121.104 -0.998 . . . . 0.0 112.407 177.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -52.57 -19.42 10.19 Favored 'Trans proline' 0 CA--C 1.543 0.973 1 C-N-CA 125.467 4.112 . . . . 0.0 119.963 -167.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.03 1.33 0.25 Allowed Glycine 0 N--CA 1.478 1.435 0 N-CA-C 116.327 1.291 . . . . 0.0 116.327 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -63.61 -28.55 70.0 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 118.63 1.215 . . . . 0.0 114.148 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -63.4 -40.3 96.83 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.37 1.068 . . . . 0.0 113.066 -164.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.7 m -62.83 -7.35 4.89 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -134.08 15.41 3.86 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.179 1.792 . . . . 0.0 113.676 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -148.86 -46.35 0.15 Allowed 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 176.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 85.2 m -114.97 -24.17 8.73 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -165.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -126.01 12.07 7.74 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 127.695 2.398 . . . . 0.0 112.137 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.253 1.281 0 C-N-CA 127.61 2.364 . . . . 0.0 114.474 -177.629 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.5 m -50.49 135.01 23.22 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.903 1.281 . . . . 0.0 113.568 -173.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.7 t -57.05 150.48 17.03 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.594 1.558 . . . . 0.0 114.416 -178.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -67.14 -14.55 63.01 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 166.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -135.13 -48.37 0.73 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.949 1.299 . . . . 0.0 113.044 -170.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 44.3 m -83.3 -11.77 57.37 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.63 1.172 . . . . 0.0 114.089 -167.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.56 23.89 63.36 Favored Glycine 0 CA--C 1.539 1.593 0 C-N-CA 124.87 1.224 . . . . 0.0 115.442 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -115.65 122.88 32.09 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 125.33 1.452 . . . . 0.0 110.979 -172.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -52.49 -34.17 60.77 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 124.932 3.755 . . . . 0.0 116.549 -176.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.37 35.69 1.34 Allowed Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.937 1.732 . . . . 0.0 115.388 -174.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -103.61 155.77 18.3 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.722 1.209 . . . . 0.0 113.104 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.9 mt -155.14 172.46 18.11 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 129.094 2.958 . . . . 0.0 108.406 -174.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m -54.85 -18.54 4.98 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.649 1.58 . . . . 0.0 114.882 170.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.6 p -98.5 -6.49 30.18 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.481 1.912 . . . . 0.0 114.039 176.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -101.64 -42.23 6.29 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.969 1.308 . . . . 0.0 111.373 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.8 m -142.85 174.47 10.63 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 127.241 2.216 . . . . 0.0 110.706 168.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -36.07 63.34 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.541 1.136 . . . . 0.0 113.423 178.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.75 160.14 27.54 Favored Pre-proline 0 CA--C 1.549 0.922 0 C-N-CA 124.74 1.216 . . . . 0.0 112.885 174.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.99 173.72 13.14 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 123.073 2.515 . . . . 0.0 111.412 159.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -53.98 -13.94 0.91 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 127.599 2.36 . . . . 0.0 115.704 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.1 t -54.82 -36.61 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 126.097 1.759 . . . . 0.0 112.785 167.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.1 t -149.44 -156.1 0.69 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.368 1.467 . . . . 0.0 111.173 -168.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -136.82 -17.88 1.41 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.814 2.045 . . . . 0.0 113.011 169.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -157.22 -58.25 0.08 Allowed 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.58 -29.83 59.45 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -169.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 pttm 43.12 26.9 0.1 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 128.405 2.682 . . . . 0.0 118.22 166.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -69.03 153.06 96.48 Favored Pre-proline 0 CA--C 1.552 1.056 0 O-C-N 121.233 -0.917 . . . . 0.0 112.463 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -53.16 -17.8 8.95 Favored 'Trans proline' 0 CA--C 1.544 1.001 1 C-N-CA 125.387 4.058 . . . . 0.0 120.047 -168.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.21 -1.63 0.18 Allowed Glycine 0 N--CA 1.478 1.487 0 N-CA-C 116.621 1.408 . . . . 0.0 116.621 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -61.95 -28.67 69.71 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -62.83 -40.57 97.82 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.952 1.301 . . . . 0.0 112.84 -168.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.7 m -62.87 -8.06 6.3 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -130.26 8.84 5.14 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.103 1.761 . . . . 0.0 113.894 177.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -147.35 -81.25 0.14 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.094 0.958 . . . . 0.0 111.158 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 62.7 m -76.53 -17.68 59.12 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -166.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.29 13.45 2.81 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.294 1.838 . . . . 0.0 112.986 -175.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.961 2.104 . . . . 0.0 112.915 177.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.2 m -50.5 136.16 21.36 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.822 1.249 . . . . 0.0 113.498 -174.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.7 t -56.81 151.62 14.0 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.523 1.529 . . . . 0.0 114.215 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -66.68 -15.22 63.35 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 165.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -136.01 -47.16 0.65 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.891 1.276 . . . . 0.0 113.215 -169.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.0 m -82.92 -8.67 59.55 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -166.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.98 33.96 76.55 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.43 1.014 . . . . 0.0 114.452 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -128.17 111.69 19.88 Favored Pre-proline 0 N--CA 1.474 0.745 0 C-N-CA 125.872 1.669 . . . . 0.0 110.705 -166.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -51.06 -32.72 40.16 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 125.25 3.967 . . . . 0.0 116.877 -177.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.9 34.66 1.24 Allowed Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.769 1.652 . . . . 0.0 115.328 -177.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -103.43 158.69 16.17 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.843 1.257 . . . . 0.0 113.279 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.3 mt -153.66 171.27 19.08 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 129.236 3.014 . . . . 0.0 108.183 -175.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.9 p -58.23 -16.85 15.39 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 168.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.6 p -94.56 -9.05 36.43 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.08 1.752 . . . . 0.0 113.967 173.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -99.04 -42.36 7.14 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.813 1.245 . . . . 0.0 111.343 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.2 m -142.79 172.97 11.97 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.384 2.274 . . . . 0.0 110.459 168.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -34.11 60.94 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.194 1.398 . . . . 0.0 113.772 -178.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.08 159.97 29.02 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.195 1.398 . . . . 0.0 112.127 170.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -72.52 174.65 11.31 Favored 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 123.078 2.519 . . . . 0.0 111.249 159.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -54.81 -12.39 0.78 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 127.547 2.339 . . . . 0.0 115.726 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -55.77 -36.64 43.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.889 1.676 . . . . 0.0 112.713 167.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.2 t -149.36 -153.64 0.51 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.499 1.52 . . . . 0.0 111.014 -169.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -139.59 -19.64 0.94 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.746 2.018 . . . . 0.0 113.002 170.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -156.77 -56.73 0.08 Allowed 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -178.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.6 p -77.31 -29.18 53.55 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -169.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.2 pttm 43.52 26.64 0.12 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 118.17 2.656 . . . . 0.0 118.17 164.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -68.18 153.17 95.85 Favored Pre-proline 0 CA--C 1.553 1.063 0 O-C-N 121.044 -1.035 . . . . 0.0 112.55 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_exo -52.55 -19.56 10.4 Favored 'Trans proline' 0 CA--C 1.544 1.012 1 C-N-CA 125.534 4.156 . . . . 0.0 119.941 -167.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.7 0.42 0.24 Allowed Glycine 0 N--CA 1.478 1.442 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -63.03 -28.0 69.79 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -177.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -62.19 -41.44 98.34 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.623 1.169 . . . . 0.0 112.577 -168.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.5 m -63.52 -4.21 2.69 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -135.46 10.85 3.47 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.014 1.726 . . . . 0.0 114.246 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -150.42 -55.87 0.16 Allowed 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 77.4 m -105.34 -17.71 14.36 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -165.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -139.3 3.91 2.18 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.225 1.81 . . . . 0.0 113.286 -177.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.1 p . . . . . 0 C--O 1.254 1.308 0 C-N-CA 127.215 2.206 . . . . 0.0 113.932 173.802 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.2 m -51.17 136.78 23.51 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.181 1.392 . . . . 0.0 113.948 -171.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.4 t -57.64 151.28 17.52 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.455 1.502 . . . . 0.0 113.798 178.14 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -66.1 -16.1 63.66 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 166.397 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -141.21 -42.45 0.38 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -171.33 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.2 m -74.84 -24.16 58.55 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -175.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.71 6.82 56.98 Favored Glycine 0 CA--C 1.542 1.726 0 C-N-CA 124.869 1.223 . . . . 0.0 115.852 -174.488 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.71 123.28 76.39 Favored Pre-proline 0 N--CA 1.48 1.056 0 CA-C-N 119.183 1.491 . . . . 0.0 110.891 177.275 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -54.37 -32.35 71.95 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 124.688 3.592 . . . . 0.0 116.045 175.644 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.91 28.08 1.92 Allowed Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.491 1.519 . . . . 0.0 115.329 -175.265 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -89.97 159.84 16.69 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 122.544 1.164 . . . . 0.0 113.591 177.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.6 mt -150.39 169.48 21.32 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 128.546 2.738 . . . . 0.0 108.842 -173.436 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.9 p -57.71 -12.58 3.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.838 1.655 . . . . 0.0 115.298 171.323 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.0 p -110.13 -10.53 14.66 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.567 1.947 . . . . 0.0 113.871 175.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -83.77 -39.83 19.55 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.276 1.03 . . . . 0.0 111.306 178.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.5 m -143.75 175.84 9.69 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.984 2.514 . . . . 0.0 110.087 168.599 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -53.99 -32.89 55.49 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.271 1.428 . . . . 0.0 113.986 177.028 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.77 160.29 25.31 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 124.506 1.122 . . . . 0.0 113.007 169.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -71.12 170.0 19.21 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 122.83 2.353 . . . . 0.0 111.172 156.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -55.44 -16.63 3.9 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.741 2.016 . . . . 0.0 115.783 -175.603 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.4 t -53.85 -31.45 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 126.011 1.724 . . . . 0.0 112.559 169.413 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.0 t -147.41 -156.78 0.75 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.267 1.827 . . . . 0.0 110.543 -173.598 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -137.23 -20.77 1.21 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.157 2.183 . . . . 0.0 113.167 170.056 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -156.87 -54.84 0.08 Allowed 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -177.64 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.35 -30.95 62.24 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -171.555 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.7 pttm 43.73 24.11 0.06 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 118.632 2.827 . . . . 0.0 118.632 165.588 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -67.98 151.51 97.14 Favored Pre-proline 0 CA--C 1.553 1.074 0 O-C-N 121.089 -1.007 . . . . 0.0 112.217 178.009 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -51.58 -24.4 17.07 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 125.158 3.905 . . . . 0.0 119.29 -167.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.83 11.36 0.71 Allowed Glycine 0 N--CA 1.476 1.307 0 N-CA-C 115.812 1.085 . . . . 0.0 115.812 -178.059 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -68.44 -30.26 69.09 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.652 1.226 . . . . 0.0 113.701 -179.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -60.69 -41.33 94.91 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.399 1.079 . . . . 0.0 112.823 -164.677 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.8 m -60.48 -5.09 1.05 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 175.704 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -127.33 6.29 6.37 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.633 1.973 . . . . 0.0 113.425 178.19 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -152.65 -48.6 0.1 Allowed 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 69.2 m -110.64 -4.99 15.14 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.131 1.372 . . . . 0.0 113.544 -167.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 tpp85 -149.31 3.38 0.58 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 127.265 2.226 . . . . 0.0 113.618 179.512 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.252 1.206 0 C-N-CA 126.879 2.072 . . . . 0.0 113.865 173.657 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.0 m -49.73 136.99 16.68 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.133 1.373 . . . . 0.0 114.096 -173.071 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.3 t -56.06 153.19 9.32 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.821 1.648 . . . . 0.0 114.144 178.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -66.49 -15.16 63.15 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 165.204 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -138.18 -48.67 0.54 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.928 1.291 . . . . 0.0 113.5 -169.496 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.8 m -80.75 -9.93 59.77 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 -165.404 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.58 28.57 69.96 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.388 0.994 . . . . 0.0 114.967 -179.559 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -118.17 113.61 37.24 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 125.891 1.676 . . . . 0.0 111.218 -172.613 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -51.1 -32.57 39.97 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 125.118 3.878 . . . . 0.0 116.292 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.79 26.5 1.4 Allowed Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.629 1.585 . . . . 0.0 115.43 -177.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -90.9 156.95 17.62 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 122.604 1.193 . . . . 0.0 113.645 177.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.9 mt -154.61 171.95 18.65 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 129.253 3.021 . . . . 0.0 108.267 -175.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.1 m -55.71 -18.01 7.19 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.204 1.402 . . . . 0.0 114.761 169.101 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.1 p -97.92 -4.62 36.06 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.506 1.923 . . . . 0.0 114.026 175.787 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -104.52 -40.57 6.0 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.02 1.328 . . . . 0.0 111.377 -178.365 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.0 m -142.68 172.91 12.05 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.503 1.921 . . . . 0.0 111.069 164.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.401 ' NE ' ' H ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -48.39 -37.38 16.76 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.908 2.083 . . . . 0.0 113.619 175.148 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.77 159.93 27.52 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.749 1.219 . . . . 0.0 112.72 169.354 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -71.99 174.52 11.15 Favored 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 123.158 2.572 . . . . 0.0 111.394 158.611 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -55.07 -13.56 1.22 Allowed 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 127.135 2.174 . . . . 0.0 115.672 -178.12 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.9 t -54.58 -34.5 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.77 1.628 . . . . 0.0 112.676 167.388 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.3 t -150.44 -152.14 0.42 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.257 1.423 . . . . 0.0 111.144 -169.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -138.77 -22.18 0.97 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.015 2.126 . . . . 0.0 112.792 169.41 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -157.08 -54.83 0.08 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -73.91 -32.21 63.44 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -170.175 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.9 pttm 42.56 26.14 0.06 Allowed 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 118.531 2.789 . . . . 0.0 118.531 166.408 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -67.22 152.39 96.16 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 124.108 0.963 . . . . 0.0 112.395 177.671 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -51.84 -19.84 8.8 Favored 'Trans proline' 0 CA--C 1.542 0.891 1 C-N-CA 125.554 4.169 . . . . 0.0 120.001 -167.175 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.6 1.53 0.28 Allowed Glycine 0 N--CA 1.477 1.398 0 N-CA-C 116.302 1.281 . . . . 0.0 116.302 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -63.64 -29.85 71.04 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.644 1.222 . . . . 0.0 113.889 -177.378 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -62.19 -40.71 96.97 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.902 1.281 . . . . 0.0 112.805 -164.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.4 m -61.83 -7.0 3.1 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.269 1.428 . . . . 0.0 114.597 176.466 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -127.16 4.54 6.41 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.816 2.046 . . . . 0.0 113.164 -177.2 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -150.38 -45.11 0.13 Allowed 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -176.214 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 84.2 m -115.08 -27.88 7.17 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.064 0.946 . . . . 0.0 113.473 -164.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -122.13 -1.08 9.31 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.93 2.492 . . . . 0.0 112.368 177.686 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.8 p . . . . . 0 C--O 1.252 1.234 0 C-N-CA 127.119 2.168 . . . . 0.0 114.092 175.507 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 97.9 m -120.48 142.22 49.48 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.872 1.669 . . . . 0.0 110.006 -178.574 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.9 t -63.68 150.15 44.98 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -172.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -71.82 -16.24 62.16 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 165.509 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -138.16 -47.91 0.53 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.333 1.053 . . . . 0.0 113.433 -166.14 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.1 m -73.96 -16.65 61.08 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.56 1.144 . . . . 0.0 113.669 -171.352 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.23 45.91 95.22 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.054 0.835 . . . . 0.0 112.77 -174.598 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.52 144.12 35.42 Favored Pre-proline 0 N--CA 1.476 0.855 0 C-N-CA 125.645 1.578 . . . . 0.0 111.732 -171.86 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -70.67 -170.11 0.43 Allowed 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 123.902 3.068 . . . . 0.0 111.135 164.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.7 28.19 72.97 Favored Glycine 0 CA--C 1.535 1.307 0 O-C-N 121.064 -1.023 . . . . 0.0 113.486 179.542 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -113.69 146.05 40.42 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.064 1.345 . . . . 0.0 112.119 -173.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.9 mt -156.06 173.22 17.13 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 128.578 2.751 . . . . 0.0 108.712 -172.698 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.2 m -54.83 -20.41 8.59 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.277 1.431 . . . . 0.0 114.523 168.355 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.6 p -92.4 -6.18 50.56 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.345 1.858 . . . . 0.0 114.204 175.614 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -105.99 -42.5 5.1 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.241 1.416 . . . . 0.0 111.321 179.763 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.4 m -143.39 170.15 16.32 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.222 2.209 . . . . 0.0 110.748 176.44 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -56.68 -31.52 64.52 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.791 1.236 . . . . 0.0 113.876 179.195 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.14 160.55 28.75 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 124.795 1.238 . . . . 0.0 112.19 168.294 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -72.37 171.72 16.43 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 122.662 2.242 . . . . 0.0 111.275 158.7 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -51.91 -19.67 1.9 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 127.084 2.154 . . . . 0.0 116.032 -176.093 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.9 t -53.06 -33.1 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 126.275 1.83 . . . . 0.0 112.874 170.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 t -149.12 -157.53 0.83 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.08 1.752 . . . . 0.0 110.844 -171.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -136.88 -16.88 1.45 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.325 2.25 . . . . 0.0 113.074 169.458 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -156.45 -62.03 0.1 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.652 1.181 . . . . 0.0 113.402 -174.174 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.24 -32.51 61.15 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.257 1.423 . . . . 0.0 114.548 -168.322 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.3 pttm 42.97 25.61 0.06 Allowed 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 118.371 2.73 . . . . 0.0 118.371 166.584 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -68.48 152.9 96.34 Favored Pre-proline 0 CA--C 1.552 1.034 0 O-C-N 121.209 -0.932 . . . . 0.0 112.151 177.09 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -52.15 -21.49 12.98 Favored 'Trans proline' 0 CA--C 1.543 0.941 1 C-N-CA 125.331 4.02 . . . . 0.0 119.455 -168.124 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.21 3.03 0.45 Allowed Glycine 0 N--CA 1.476 1.33 0 N-CA-C 116.264 1.266 . . . . 0.0 116.264 -179.399 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -63.04 -29.38 70.77 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.691 1.245 . . . . 0.0 113.936 -177.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -61.77 -40.3 94.68 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 124.183 0.993 . . . . 0.0 112.16 -169.434 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.7 m -59.38 -7.71 1.45 Allowed 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 115.243 1.572 . . . . 0.0 115.243 176.657 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -134.78 13.84 3.67 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.022 1.729 . . . . 0.0 114.054 177.293 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -149.86 -53.26 0.16 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 176.08 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.4 m -106.17 -3.81 20.98 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.909 1.284 . . . . 0.0 113.59 -168.653 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 tpp85 -152.65 19.9 0.61 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.146 2.179 . . . . 0.0 113.062 -176.567 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 C--O 1.253 1.242 0 C-N-CA 127.082 2.153 . . . . 0.0 114.112 -179.53 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.6 m -51.24 136.25 24.85 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.106 1.363 . . . . 0.0 113.923 -172.746 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.2 t -58.13 151.66 18.49 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.94 1.696 . . . . 0.0 114.396 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -67.6 -14.97 63.4 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 165.744 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -135.43 -47.17 0.69 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.84 1.256 . . . . 0.0 113.094 -169.652 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 55.7 m -83.7 -10.06 58.42 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -167.469 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.48 30.68 68.76 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.71 1.148 . . . . 0.0 114.823 -179.582 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -124.45 116.69 26.73 Favored Pre-proline 0 N--CA 1.476 0.832 0 C-N-CA 125.693 1.597 . . . . 0.0 110.758 -168.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -51.71 -31.9 43.16 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 125.093 3.862 . . . . 0.0 116.966 -177.135 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.1 34.69 1.28 Allowed Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.792 1.663 . . . . 0.0 115.464 -176.124 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -104.17 157.18 17.3 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.784 1.234 . . . . 0.0 113.345 -179.642 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.6 mt -154.14 170.57 20.88 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 128.91 2.884 . . . . 0.0 108.52 -173.732 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.5 m -56.68 -11.81 1.54 Allowed 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 171.737 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.6 m -113.43 0.4 14.73 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.881 1.673 . . . . 0.0 113.306 176.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -96.91 -41.06 8.6 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.875 1.27 . . . . 0.0 110.69 174.23 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.8 m -143.56 173.88 11.26 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.758 2.423 . . . . 0.0 110.406 169.241 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -55.57 -32.58 63.15 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.26 1.424 . . . . 0.0 114.13 177.903 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.2 159.7 26.6 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 124.425 1.09 . . . . 0.0 112.966 171.667 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -71.38 170.72 17.71 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 122.847 2.365 . . . . 0.0 111.282 158.127 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -52.68 -20.41 3.08 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 127.013 2.125 . . . . 0.0 115.655 -176.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.5 t -52.0 -32.63 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 126.151 1.78 . . . . 0.0 112.879 171.014 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 t -148.89 -156.23 0.7 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.134 1.774 . . . . 0.0 110.844 -172.875 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -137.87 -17.94 1.22 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.338 2.255 . . . . 0.0 113.175 169.618 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -155.53 -59.98 0.11 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -176.101 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 p -77.28 -30.41 54.26 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -169.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.5 pttm 43.26 26.14 0.08 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 118.458 2.762 . . . . 0.0 118.458 165.019 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -67.69 151.8 96.85 Favored Pre-proline 0 CA--C 1.552 1.041 0 O-C-N 121.09 -1.006 . . . . 0.0 112.349 177.819 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -51.96 -23.3 16.31 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 125.202 3.935 . . . . 0.0 119.335 -167.803 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.06 9.29 0.71 Allowed Glycine 0 N--CA 1.478 1.487 0 CA-C-N 119.631 1.105 . . . . 0.0 115.844 -178.251 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -67.99 -29.98 69.13 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.499 1.149 . . . . 0.0 113.703 -179.51 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -62.42 -42.51 99.49 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.055 0.942 . . . . 0.0 112.601 -163.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.6 m -59.08 -6.39 0.85 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 175.135 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -128.82 4.48 5.43 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 127.067 2.147 . . . . 0.0 113.134 -176.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -151.92 -52.3 0.12 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 75.1 m -106.6 -3.13 21.05 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.266 1.427 . . . . 0.0 113.515 -168.173 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -152.29 19.2 0.65 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.094 2.158 . . . . 0.0 113.108 -177.095 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.4 m . . . . . 0 C--O 1.255 1.367 0 C-N-CA 127.039 2.136 . . . . 0.0 114.24 -179.75 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.3 m -125.01 142.13 51.69 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.907 1.683 . . . . 0.0 109.855 -173.89 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.2 t -64.7 148.16 51.62 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -172.48 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -68.83 -17.8 64.06 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 165.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -141.11 -42.99 0.38 Allowed 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -167.193 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.1 m -71.22 -17.29 62.52 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -174.618 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.33 36.3 93.22 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 123.819 0.723 . . . . 0.0 113.074 -173.02 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -130.03 142.58 45.9 Favored Pre-proline 0 N--CA 1.475 0.787 0 C-N-CA 125.99 1.716 . . . . 0.0 112.036 -168.432 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.62 -170.28 0.58 Allowed 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.938 3.092 . . . . 0.0 110.739 163.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.33 29.67 75.24 Favored Glycine 0 CA--C 1.533 1.216 0 O-C-N 121.16 -0.962 . . . . 0.0 113.258 179.349 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -116.67 146.45 42.74 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.193 1.397 . . . . 0.0 112.393 -170.784 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.7 mt -155.95 174.38 15.42 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 128.655 2.782 . . . . 0.0 108.787 -173.037 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 56.4 p -56.53 -18.15 10.72 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 165.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.3 p -92.71 -1.46 56.82 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.235 1.814 . . . . 0.0 114.06 174.111 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -114.29 -38.74 4.03 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.282 1.433 . . . . 0.0 111.623 -179.278 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 m -143.1 172.36 12.82 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.002 2.121 . . . . 0.0 110.896 172.305 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.6 -32.72 52.27 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.134 1.374 . . . . 0.0 113.773 177.449 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.19 159.72 28.85 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 125.16 1.384 . . . . 0.0 111.746 167.167 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -71.27 168.94 21.96 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 122.55 2.167 . . . . 0.0 110.85 157.301 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -53.56 -18.5 2.91 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 127.031 2.132 . . . . 0.0 115.915 -174.659 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.4 t -51.64 -32.65 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 126.114 1.766 . . . . 0.0 112.656 169.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.8 t -148.53 -159.28 1.01 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.327 1.851 . . . . 0.0 110.611 -175.403 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -138.91 -14.15 1.2 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.406 2.282 . . . . 0.0 112.847 170.491 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -155.85 -63.25 0.11 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.902 1.281 . . . . 0.0 112.915 -171.589 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.17 -36.11 66.54 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.951 1.7 . . . . 0.0 114.038 -168.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.1 pttm 43.58 23.49 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 128.636 2.774 . . . . 0.0 118.313 169.194 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -68.91 151.76 97.11 Favored Pre-proline 0 CA--C 1.55 0.969 0 O-C-N 121.171 -0.956 . . . . 0.0 112.072 176.553 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_exo -52.17 -21.99 14.19 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 125.216 3.944 . . . . 0.0 119.32 -168.404 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.0 2.18 0.51 Allowed Glycine 0 CA--C 1.536 1.392 0 N-CA-C 116.29 1.276 . . . . 0.0 116.29 -178.579 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -62.34 -30.57 71.26 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.693 1.246 . . . . 0.0 114.005 -177.166 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -60.25 -40.49 90.48 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.69 1.196 . . . . 0.0 112.565 -169.202 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.9 m -58.89 -10.53 2.51 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 176.059 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -127.25 6.07 6.4 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.695 1.998 . . . . 0.0 113.16 -178.198 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -150.66 -59.2 0.18 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 179.047 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 61.7 m -96.64 -4.84 40.3 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.917 1.287 . . . . 0.0 113.96 -168.435 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -152.51 19.14 0.63 Allowed 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.721 2.009 . . . . 0.0 113.278 -175.433 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m . . . . . 0 C--O 1.252 1.201 0 C-N-CA 126.928 2.091 . . . . 0.0 114.244 -179.788 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 . . . . . 0 N--CA 1.485 1.295 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 m -49.46 138.64 13.16 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.459 1.504 . . . . 0.0 114.062 -173.391 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.38 153.16 16.18 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.817 1.647 . . . . 0.0 113.957 178.741 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -66.98 -15.68 63.87 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 164.865 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -135.94 -48.1 0.67 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.911 1.284 . . . . 0.0 113.304 -168.771 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.8 m -81.98 -9.49 59.55 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -166.735 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.22 32.54 72.05 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 124.534 1.064 . . . . 0.0 114.56 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -125.86 113.39 24.6 Favored Pre-proline 0 N--CA 1.475 0.822 0 C-N-CA 125.62 1.568 . . . . 0.0 110.827 -168.136 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -51.53 -32.03 41.99 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 125.064 3.843 . . . . 0.0 116.999 -176.031 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.07 26.55 1.19 Allowed Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.616 1.579 . . . . 0.0 115.628 -176.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -92.86 162.57 14.04 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 122.584 1.183 . . . . 0.0 113.434 177.745 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.6 mt -152.01 171.92 17.08 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 128.19 2.596 . . . . 0.0 109.091 -172.259 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.7 t -55.13 -13.97 1.44 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.938 1.695 . . . . 0.0 114.932 170.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.3 p -120.58 -11.08 9.12 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.518 1.927 . . . . 0.0 114.587 -179.668 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -74.85 -38.35 61.99 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.26 0.936 . . . . 0.0 111.15 175.234 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.5 m -139.17 179.27 6.61 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.126 2.571 . . . . 0.0 109.364 165.913 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.17 -38.95 63.23 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.31 1.044 . . . . 0.0 112.893 178.208 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.61 159.23 30.77 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 125.108 1.363 . . . . 0.0 112.314 174.285 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -72.68 175.67 9.92 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 123.146 2.564 . . . . 0.0 111.496 161.248 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -53.48 -13.94 0.71 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 127.618 2.367 . . . . 0.0 115.777 -178.204 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -56.5 -36.75 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 126.253 1.821 . . . . 0.0 112.87 168.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.6 t -148.76 -153.73 0.51 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.257 1.423 . . . . 0.0 111.141 -169.667 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -141.08 -20.55 0.79 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.901 2.081 . . . . 0.0 112.921 169.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -158.42 -54.53 0.07 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.657 1.183 . . . . 0.0 113.596 -177.249 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -36.5 76.52 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.377 1.471 . . . . 0.0 114.502 -170.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.9 pttt 42.23 27.25 0.07 Allowed 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 128.674 2.79 . . . . 0.0 117.871 170.189 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -69.61 151.28 96.63 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 124.101 0.96 . . . . 0.0 112.187 176.378 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -51.9 -22.48 14.15 Favored 'Trans proline' 0 CA--C 1.542 0.888 1 C-N-CA 125.396 4.064 . . . . 0.0 119.536 -167.343 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.1 16.91 0.45 Allowed Glycine 0 N--CA 1.476 1.303 0 CA-C-N 119.574 1.079 . . . . 0.0 115.74 -177.779 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -76.05 -29.76 58.15 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 118.513 1.157 . . . . 0.0 113.879 -178.761 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -61.25 -41.52 97.04 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.361 1.465 . . . . 0.0 113.698 -163.037 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.8 m -63.82 -4.45 3.21 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 178.232 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -127.84 5.26 6.03 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.83 2.052 . . . . 0.0 112.855 -177.502 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -149.81 -64.56 0.21 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.856 0.862 . . . . 0.0 112.686 177.282 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.3 m -90.01 -19.31 24.57 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -166.085 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.26 15.18 2.04 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.994 1.718 . . . . 0.0 113.235 -169.879 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 C--O 1.254 1.325 0 C-N-CA 127.589 2.356 . . . . 0.0 114.346 -179.928 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 . . . . . 0 N--CA 1.486 1.326 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.7 m -50.2 136.44 19.58 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.002 1.321 . . . . 0.0 113.575 -173.317 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.1 t -55.07 150.23 10.85 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.442 1.497 . . . . 0.0 113.873 -179.777 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -19.06 63.35 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 166.513 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -133.99 -48.2 0.8 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.251 1.42 . . . . 0.0 113.455 -170.319 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.2 m -79.62 -10.33 59.78 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -166.111 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.92 30.47 73.26 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 124.394 0.997 . . . . 0.0 114.78 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -122.78 115.49 29.42 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 125.869 1.668 . . . . 0.0 110.61 -170.003 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -52.13 -32.65 50.48 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 124.975 3.783 . . . . 0.0 116.98 -175.682 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.47 29.38 1.22 Allowed Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.723 1.63 . . . . 0.0 115.554 -176.171 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -98.96 165.35 11.79 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.826 1.25 . . . . 0.0 113.08 178.253 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.7 mt -152.23 170.9 18.88 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 128.515 2.726 . . . . 0.0 108.549 -176.363 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 64.8 m -57.53 -3.7 0.2 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.296 1.838 . . . . 0.0 115.735 170.309 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.1 p -126.48 -11.25 6.26 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.854 2.062 . . . . 0.0 114.132 177.666 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -74.84 -39.03 61.84 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.166 0.894 . . . . 0.0 110.874 173.796 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.2 m -137.07 -177.14 4.63 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 128.103 2.561 . . . . 0.0 109.437 167.298 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -37.39 61.9 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.632 1.173 . . . . 0.0 112.637 179.451 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.37 162.13 24.18 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 125.842 1.657 . . . . 0.0 111.779 171.299 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -71.65 168.78 22.72 Favored 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 122.791 2.327 . . . . 0.0 110.853 156.305 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -56.4 -15.79 4.68 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.249 1.82 . . . . 0.0 115.748 -174.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.3 t -50.64 -33.47 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 126.136 1.775 . . . . 0.0 112.483 167.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.5 t -148.88 -159.59 1.06 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.193 1.797 . . . . 0.0 110.876 -174.478 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -138.97 -16.12 1.11 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.399 2.28 . . . . 0.0 113.052 170.066 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -156.79 -60.4 0.09 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.344 1.057 . . . . 0.0 113.808 -175.365 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.13 -32.68 69.27 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.295 1.438 . . . . 0.0 114.528 -171.345 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.9 pttt 42.35 24.8 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 129.255 3.022 . . . . 0.0 118.84 165.148 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -69.39 152.89 96.29 Favored Pre-proline 0 CA--C 1.551 1.018 0 O-C-N 121.206 -0.934 . . . . 0.0 112.087 175.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -52.31 -22.35 15.56 Favored 'Trans proline' 0 CA--C 1.542 0.9 0 C-N-CA 125.199 3.933 . . . . 0.0 119.305 -169.608 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -149.59 1.97 0.54 Allowed Glycine 0 CA--C 1.538 1.473 0 N-CA-C 116.245 1.258 . . . . 0.0 116.245 -177.749 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -62.34 -29.62 70.58 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.743 1.271 . . . . 0.0 114.154 -177.276 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -60.05 -40.77 90.58 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.618 1.167 . . . . 0.0 112.553 -169.639 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.8 m -59.51 -9.69 2.74 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 175.415 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -125.99 4.2 7.26 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.755 2.022 . . . . 0.0 113.043 -178.003 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -150.83 -64.16 0.19 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.801 0.84 . . . . 0.0 113.059 178.553 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.4 m -89.04 -6.19 57.34 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -168.649 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -152.32 18.64 0.65 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.329 1.852 . . . . 0.0 113.417 -174.187 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.7 m . . . . . 0 C--O 1.253 1.244 0 C-N-CA 126.802 2.041 . . . . 0.0 114.2 -179.815 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.4 m -48.89 133.2 18.07 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.219 1.407 . . . . 0.0 114.15 -173.157 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.9 t -54.36 150.18 9.13 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.08 1.752 . . . . 0.0 114.355 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -61.68 -21.27 64.31 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 166.18 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -132.84 -47.51 0.87 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.101 1.36 . . . . 0.0 113.278 -168.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.5 m -80.92 -9.96 59.77 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -166.588 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.81 32.83 75.72 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.489 1.042 . . . . 0.0 114.805 179.366 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -127.45 118.9 21.62 Favored Pre-proline 0 N--CA 1.475 0.807 0 C-N-CA 125.371 1.468 . . . . 0.0 110.882 -170.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -51.8 -31.85 43.81 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 125.025 3.817 . . . . 0.0 117.057 -177.063 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.38 36.87 1.35 Allowed Glycine 0 CA--C 1.534 1.268 0 C-N-CA 125.809 1.671 . . . . 0.0 115.358 -175.169 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -108.46 155.53 20.49 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.929 1.292 . . . . 0.0 113.331 -179.054 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.2 mt -155.0 172.16 18.55 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 129.117 2.967 . . . . 0.0 108.356 -173.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.6 m -55.45 -19.84 10.63 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.216 1.406 . . . . 0.0 114.49 169.109 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.1 p -94.17 -5.0 48.08 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.476 1.91 . . . . 0.0 114.055 175.881 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -106.23 -43.77 4.72 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.158 1.383 . . . . 0.0 111.292 -177.78 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.1 m -143.17 176.18 9.32 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.371 2.268 . . . . 0.0 110.682 170.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -37.32 65.52 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.858 1.263 . . . . 0.0 113.03 179.765 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.84 161.2 24.8 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.015 1.326 . . . . 0.0 112.47 174.439 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -71.97 168.89 22.7 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 122.97 2.447 . . . . 0.0 111.196 157.569 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -56.91 -15.58 5.13 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.992 1.849 . . . . 0.0 115.992 -173.739 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.8 t -51.92 -32.28 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.775 1.63 . . . . 0.0 112.421 168.17 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.0 t -146.64 -158.82 0.94 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.5 1.92 . . . . 0.0 110.419 -176.311 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -136.84 -11.54 1.76 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.42 2.288 . . . . 0.0 112.775 168.662 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -159.02 -63.1 0.08 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.026 1.33 . . . . 0.0 112.794 -172.433 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -38.11 70.3 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.096 1.758 . . . . 0.0 113.973 -167.294 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.5 pttm 43.49 23.58 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 128.531 2.732 . . . . 0.0 118.062 171.158 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -69.92 151.29 96.26 Favored Pre-proline 0 CA--C 1.551 1.018 0 O-C-N 121.157 -0.964 . . . . 0.0 112.244 176.741 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -52.33 -21.16 12.84 Favored 'Trans proline' 0 CA--C 1.543 0.934 1 C-N-CA 125.509 4.139 . . . . 0.0 119.569 -168.493 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.15 11.11 0.67 Allowed Glycine 0 N--CA 1.478 1.436 0 CA-C-N 119.689 1.132 . . . . 0.0 115.766 -178.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -71.61 -28.98 64.17 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.409 1.104 . . . . 0.0 113.189 179.537 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -64.0 -44.25 93.19 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.838 0.855 . . . . 0.0 112.097 -168.889 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.1 m -59.76 -6.31 1.18 Allowed 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 176.243 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -135.7 13.83 3.42 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.387 1.875 . . . . 0.0 113.825 179.422 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -151.49 -53.29 0.13 Allowed 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 175.126 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.1 m -106.05 -3.71 21.27 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.028 1.331 . . . . 0.0 113.615 -168.156 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.4 tpp85 -152.47 19.4 0.63 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 127.16 2.184 . . . . 0.0 112.989 -176.696 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.9 m . . . . . 0 C--O 1.253 1.263 0 C-N-CA 127.045 2.138 . . . . 0.0 114.161 -179.729 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.0 m -126.57 138.13 53.42 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.846 1.658 . . . . 0.0 109.786 -173.25 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.7 t -60.9 147.35 43.39 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -173.185 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -67.05 -21.73 65.89 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 166.825 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -136.03 -41.04 0.67 Allowed 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -167.765 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 63.1 m -71.1 -17.62 62.57 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -177.709 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.19 28.51 69.23 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.222 0.915 . . . . 0.0 113.745 -172.615 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.44 147.5 38.16 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 125.961 1.705 . . . . 0.0 111.785 -174.527 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -71.71 -169.43 0.43 Allowed 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 123.872 3.048 . . . . 0.0 110.625 161.446 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.59 29.41 73.57 Favored Glycine 0 CA--C 1.533 1.179 0 O-C-N 121.02 -1.05 . . . . 0.0 113.404 179.103 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -117.89 146.66 43.77 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.141 1.376 . . . . 0.0 112.272 -170.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.2 mt -156.18 172.42 18.47 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.922 2.489 . . . . 0.0 109.325 -171.071 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.6 m -52.29 -18.71 1.68 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.622 1.969 . . . . 0.0 115.085 168.663 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.2 p -101.9 -11.08 19.27 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.591 1.957 . . . . 0.0 113.93 178.512 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -92.59 -42.48 9.64 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.528 1.131 . . . . 0.0 111.23 177.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.5 m -143.13 173.19 11.79 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.112 2.165 . . . . 0.0 111.184 176.766 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -50.96 -35.22 32.4 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.902 1.681 . . . . 0.0 114.046 177.103 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -161.4 160.43 23.63 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 124.978 1.311 . . . . 0.0 112.195 166.25 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -72.29 167.4 27.0 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 C-N-CA 122.614 2.209 . . . . 0.0 111.053 156.316 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -53.07 -19.62 2.94 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.838 2.055 . . . . 0.0 115.421 -176.195 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -50.0 -32.27 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 126.073 1.749 . . . . 0.0 112.772 169.212 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.3 t -148.37 -157.42 0.81 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.382 1.873 . . . . 0.0 110.805 -175.72 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -137.89 -19.55 1.16 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.34 2.256 . . . . 0.0 113.073 170.127 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -155.72 -56.81 0.09 Allowed 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -176.315 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -73.71 -34.27 64.74 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -172.038 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.2 pttm 43.29 25.49 0.07 Allowed 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 118.476 2.769 . . . . 0.0 118.476 166.189 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -69.59 152.11 96.37 Favored Pre-proline 0 CA--C 1.552 1.036 0 O-C-N 121.183 -0.948 . . . . 0.0 112.714 177.855 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -52.24 -21.26 12.76 Favored 'Trans proline' 0 CA--C 1.542 0.899 1 C-N-CA 125.521 4.147 . . . . 0.0 119.599 -169.107 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.0 11.34 0.69 Allowed Glycine 0 N--CA 1.476 1.334 0 CA-C-N 119.68 1.127 . . . . 0.0 115.664 -178.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -71.73 -28.05 63.41 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.314 1.057 . . . . 0.0 113.416 179.663 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -63.56 -44.78 93.14 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.789 0.836 . . . . 0.0 112.084 -168.259 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.9 m -59.81 -5.59 0.99 Allowed 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.232 1.568 . . . . 0.0 115.232 175.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -136.58 14.29 3.18 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.489 1.916 . . . . 0.0 113.766 179.339 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -151.21 -56.75 0.15 Allowed 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 174.123 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.0 m -102.09 -4.15 26.39 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.003 1.321 . . . . 0.0 113.83 -168.861 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 tpp85 -152.88 19.73 0.59 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.031 2.132 . . . . 0.0 112.987 -175.536 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 C--O 1.254 1.292 0 C-N-CA 127.044 2.137 . . . . 0.0 114.193 -179.544 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.4 m -122.81 146.42 47.55 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.219 1.808 . . . . 0.0 109.637 -176.302 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.6 t -66.33 149.14 50.82 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -175.096 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -68.98 -18.13 64.02 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 165.74 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -138.45 -47.16 0.51 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -167.29 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.7 m -69.9 -24.37 63.38 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.378 1.071 . . . . 0.0 112.894 -177.612 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.43 0.62 24.33 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 125.44 1.495 . . . . 0.0 114.984 -171.166 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.07 150.38 71.51 Favored Pre-proline 0 N--CA 1.474 0.741 0 C-N-CA 125.199 1.4 . . . . 0.0 112.021 179.729 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -72.07 -168.38 0.37 Allowed 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 124.155 3.237 . . . . 0.0 110.801 162.053 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 61.7 28.68 70.33 Favored Glycine 0 CA--C 1.535 1.298 0 O-C-N 120.965 -1.084 . . . . 0.0 113.414 179.113 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -114.98 148.83 38.27 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.292 1.437 . . . . 0.0 111.976 -171.891 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.1 mt -154.74 173.09 16.91 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.711 2.404 . . . . 0.0 109.27 -172.275 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 m -55.14 -6.81 0.16 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 127.653 2.381 . . . . 0.0 115.939 171.643 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.2 p -120.91 -14.23 8.51 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.967 2.107 . . . . 0.0 113.761 178.528 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -79.61 -36.89 37.29 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.044 0.937 . . . . 0.0 111.032 172.035 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.3 m -142.0 176.31 9.05 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.42 2.288 . . . . 0.0 110.692 173.622 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -32.62 55.92 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.39 1.076 . . . . 0.0 113.212 177.614 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.37 159.85 28.41 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 125.638 1.575 . . . . 0.0 111.291 167.608 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.91 170.18 19.46 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 122.34 2.027 . . . . 0.0 110.902 157.893 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -51.6 -20.28 1.91 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.387 2.275 . . . . 0.0 115.792 -175.624 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.4 t -52.22 -32.8 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 126.123 1.769 . . . . 0.0 112.906 170.676 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.7 t -148.91 -157.8 0.85 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.033 1.733 . . . . 0.0 110.805 -174.574 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -141.0 -18.01 0.83 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.308 2.243 . . . . 0.0 113.289 171.922 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -154.49 -58.85 0.11 Allowed 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -174.145 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 p -80.21 -30.54 38.68 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -170.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.9 pttm 43.79 26.94 0.15 Allowed 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 118.4 2.741 . . . . 0.0 118.4 163.578 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -68.76 153.34 96.03 Favored Pre-proline 0 CA--C 1.553 1.063 0 O-C-N 121.193 -0.942 . . . . 0.0 112.323 177.207 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -52.02 -24.38 19.38 Favored 'Trans proline' 0 CA--C 1.543 0.975 0 C-N-CA 125.054 3.836 . . . . 0.0 119.177 -168.386 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.97 3.9 0.7 Allowed Glycine 0 N--CA 1.477 1.401 0 N-CA-C 116.166 1.227 . . . . 0.0 116.166 -177.681 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -63.77 -27.19 69.02 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -177.572 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -60.94 -41.68 96.72 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.782 0.833 . . . . 0.0 112.34 -168.322 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.3 m -59.42 -8.72 1.91 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 176.76 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -130.37 10.54 5.29 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.085 1.754 . . . . 0.0 114.056 178.138 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -152.02 -49.24 0.11 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 179.726 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 78.5 m -111.75 -4.76 14.56 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.768 1.227 . . . . 0.0 113.493 -167.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.8 tpp85 -151.22 10.41 0.59 Allowed 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 127.201 2.201 . . . . 0.0 113.324 -179.798 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.342 1.857 . . . . 0.0 114.133 174.633 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.2 m -117.85 144.44 45.4 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.408 1.883 . . . . 0.0 109.722 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 t -63.76 148.94 47.94 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -175.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -66.63 -22.95 66.11 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 166.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -139.41 -39.62 0.47 Allowed 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -167.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.4 m -68.03 -25.65 65.48 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.11 0.868 . . . . 0.0 112.871 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.33 6.15 46.32 Favored Glycine 0 CA--C 1.54 1.635 0 C-N-CA 124.997 1.284 . . . . 0.0 114.842 -170.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.79 149.88 49.26 Favored Pre-proline 0 N--CA 1.474 0.745 0 C-N-CA 125.355 1.462 . . . . 0.0 111.935 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -72.08 -168.39 0.37 Allowed 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 124.029 3.153 . . . . 0.0 110.763 161.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 61.59 29.58 72.28 Favored Glycine 0 CA--C 1.534 1.28 0 O-C-N 120.857 -1.152 . . . . 0.0 113.317 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -116.23 151.36 35.91 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 125.319 1.448 . . . . 0.0 111.892 -172.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.2 mt -153.95 170.95 19.82 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 128.113 2.565 . . . . 0.0 108.694 -174.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.1 m -58.03 -2.74 0.18 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.984 2.114 . . . . 0.0 115.768 171.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.0 p -120.15 -13.95 8.89 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.062 2.145 . . . . 0.0 113.559 176.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -79.28 -40.14 31.24 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.163 0.985 . . . . 0.0 110.669 170.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.7 m -140.23 174.54 10.41 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.71 2.404 . . . . 0.0 110.31 173.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.43 -33.97 56.03 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.601 1.16 . . . . 0.0 113.476 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.55 159.99 29.58 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 125.692 1.597 . . . . 0.0 111.057 168.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -71.65 171.57 16.11 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 122.541 2.161 . . . . 0.0 111.044 159.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -53.85 -18.4 3.28 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 126.42 1.888 . . . . 0.0 115.711 -175.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.2 t -50.69 -33.77 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.304 1.842 . . . . 0.0 112.798 169.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 t -147.73 -154.66 0.57 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 126.323 1.849 . . . . 0.0 110.563 -175.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -140.52 -23.0 0.81 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.177 2.191 . . . . 0.0 113.095 171.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -155.67 -53.68 0.09 Allowed 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -176.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.29 -31.36 58.19 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 -171.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.2 pttm 44.16 24.11 0.08 Allowed 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 118.795 2.887 . . . . 0.0 118.795 164.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -67.92 152.66 96.21 Favored Pre-proline 0 CA--C 1.551 1.009 0 O-C-N 120.903 -1.123 . . . . 0.0 112.357 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -52.28 -21.95 14.49 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 125.221 3.947 . . . . 0.0 119.525 -167.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.31 3.61 0.47 Allowed Glycine 0 CA--C 1.536 1.4 0 N-CA-C 116.082 1.193 . . . . 0.0 116.082 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -63.2 -28.64 70.19 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.564 1.182 . . . . 0.0 114.075 -177.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -60.81 -41.69 96.2 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.289 1.036 . . . . 0.0 112.056 -170.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.6 m -60.26 -7.15 1.78 Allowed 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 176.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -134.18 13.33 3.89 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.152 1.781 . . . . 0.0 114.079 176.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -149.43 -54.85 0.17 Allowed 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 176.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.7 m -103.75 -4.05 24.17 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.959 1.303 . . . . 0.0 113.629 -168.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -152.1 19.33 0.67 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 127.053 2.141 . . . . 0.0 113.132 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 C--O 1.255 1.379 0 C-N-CA 127.036 2.134 . . . . 0.0 114.091 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 m -51.05 133.11 27.77 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.215 1.406 . . . . 0.0 113.763 -172.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.1 t -54.43 150.56 8.79 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.052 1.741 . . . . 0.0 114.423 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -62.65 -21.47 65.72 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 166.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -132.57 -46.85 0.89 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.138 1.375 . . . . 0.0 113.247 -168.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 55.8 m -82.04 -10.1 59.33 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -167.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.85 31.3 71.57 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.675 1.131 . . . . 0.0 114.898 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -125.23 116.58 25.53 Favored Pre-proline 0 N--CA 1.476 0.842 0 C-N-CA 125.622 1.569 . . . . 0.0 110.772 -169.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -51.64 -32.13 43.5 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 125.179 3.919 . . . . 0.0 116.888 -177.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.09 35.63 1.28 Allowed Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.807 1.67 . . . . 0.0 115.33 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -105.19 154.29 20.4 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.805 1.242 . . . . 0.0 113.258 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.1 mt -154.18 172.84 16.94 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 129.153 2.981 . . . . 0.0 108.424 -174.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.1 m -54.89 -18.92 5.53 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.569 1.548 . . . . 0.0 114.842 170.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.3 p -97.95 -4.75 35.72 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.701 2.001 . . . . 0.0 114.075 176.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -105.64 -40.81 5.64 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.163 1.385 . . . . 0.0 111.456 -177.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.2 m -143.89 173.51 11.64 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.169 2.188 . . . . 0.0 110.644 167.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.62 -35.24 60.71 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.331 1.453 . . . . 0.0 113.663 175.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.51 160.94 25.82 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 124.564 1.146 . . . . 0.0 113.345 171.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -72.36 173.32 13.31 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 123.107 2.538 . . . . 0.0 111.514 158.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -58.13 -9.45 1.44 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 126.721 2.009 . . . . 0.0 115.766 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.8 t -54.62 -37.08 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.843 1.657 . . . . 0.0 112.521 165.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 t -148.62 -154.74 0.57 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.669 1.587 . . . . 0.0 110.951 -169.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -134.87 -20.64 1.73 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.709 2.004 . . . . 0.0 112.714 168.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -158.28 -51.49 0.07 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.425 1.09 . . . . 0.0 113.939 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -36.85 77.15 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.058 1.343 . . . . 0.0 114.409 -171.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 pttm 42.85 24.83 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 128.569 2.748 . . . . 0.0 118.295 170.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -68.37 152.34 96.64 Favored Pre-proline 0 CA--C 1.552 1.052 0 O-C-N 121.143 -0.973 . . . . 0.0 112.292 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_exo -52.3 -19.28 9.16 Favored 'Trans proline' 0 C--N 1.355 0.906 1 C-N-CA 125.575 4.183 . . . . 0.0 120.032 -167.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.11 1.11 0.24 Allowed Glycine 0 N--CA 1.478 1.471 0 N-CA-C 116.462 1.345 . . . . 0.0 116.462 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -64.18 -26.69 68.63 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -177.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -63.71 -41.65 98.07 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.542 1.137 . . . . 0.0 112.501 -169.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.0 m -63.66 -3.68 2.45 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -134.48 9.58 3.7 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.936 1.694 . . . . 0.0 114.092 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -151.02 -51.66 0.13 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 67.0 m -109.07 -17.35 13.91 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -164.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.89 2.59 2.17 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.658 1.983 . . . . 0.0 113.096 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.254 1.305 0 C-N-CA 127.264 2.226 . . . . 0.0 113.964 173.785 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 . . . . . 0 N--CA 1.485 1.304 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.7 m -49.38 140.33 10.44 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.099 1.36 . . . . 0.0 113.984 -173.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.4 t -59.91 152.96 22.17 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.648 1.579 . . . . 0.0 113.867 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -67.02 -15.18 63.56 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 165.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -137.09 -48.86 0.61 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.881 1.272 . . . . 0.0 113.224 -169.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.0 m -80.52 -10.6 59.74 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -167.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.48 28.9 68.21 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 124.692 1.139 . . . . 0.0 114.931 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -121.88 117.64 29.7 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 125.6 1.56 . . . . 0.0 110.807 -170.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.26 -31.61 47.18 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 125.056 3.837 . . . . 0.0 116.95 -176.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.56 31.02 1.22 Allowed Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.746 1.641 . . . . 0.0 115.544 -176.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -101.45 165.22 11.37 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.026 1.33 . . . . 0.0 113.359 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.6 mt -153.36 170.78 19.83 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 128.447 2.699 . . . . 0.0 108.522 -176.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.7 m -58.15 -2.03 0.16 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.451 1.901 . . . . 0.0 115.833 170.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.7 p -127.69 -12.68 5.42 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.025 2.13 . . . . 0.0 114.107 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -74.04 -35.86 64.36 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.17 0.895 . . . . 0.0 111.0 172.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 m -136.97 -179.79 5.91 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 127.649 2.38 . . . . 0.0 109.904 166.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -35.26 59.25 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.232 1.013 . . . . 0.0 112.898 176.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.3 160.55 28.41 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 125.62 1.568 . . . . 0.0 112.029 169.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -72.5 174.97 10.78 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 122.881 2.387 . . . . 0.0 111.009 159.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -53.44 -15.78 1.19 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 127.065 2.146 . . . . 0.0 115.531 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.8 t -54.39 -35.03 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.841 1.657 . . . . 0.0 112.927 168.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.1 t -150.29 -153.32 0.48 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.06 1.344 . . . . 0.0 111.348 -170.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -143.0 -18.0 0.66 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.439 2.295 . . . . 0.0 112.959 170.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -156.8 -62.65 0.1 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.827 1.251 . . . . 0.0 113.146 -174.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -73.47 -31.35 63.72 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.503 1.521 . . . . 0.0 114.621 -168.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.252 37.9 pttt 42.11 27.88 0.09 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 128.772 2.829 . . . . 0.0 118.256 165.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -69.82 153.08 95.81 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 124.336 1.054 . . . . 0.0 112.344 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -52.71 -20.33 12.4 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 125.28 3.987 . . . . 0.0 119.754 -168.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.44 1.49 0.29 Allowed Glycine 0 N--CA 1.478 1.487 0 N-CA-C 116.478 1.351 . . . . 0.0 116.478 -178.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -63.95 -27.47 69.16 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -64.23 -39.97 95.07 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.365 1.066 . . . . 0.0 112.988 -165.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.4 m -63.41 -5.44 3.63 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -133.63 12.42 4.08 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.009 1.723 . . . . 0.0 113.847 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -150.06 -46.73 0.13 Allowed 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 84.0 m -113.85 -27.75 7.65 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.639 0.978 . . . . 0.0 113.639 -164.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -123.29 -1.46 8.67 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 127.346 2.258 . . . . 0.0 112.482 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 p . . . . . 0 C--O 1.252 1.204 0 C-N-CA 126.932 2.093 . . . . 0.0 114.072 174.844 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.5 pm0 . . . . . 0 N--CA 1.484 1.274 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.0 m -51.89 136.86 27.65 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.346 1.458 . . . . 0.0 114.223 -170.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.2 t -57.28 151.58 15.66 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.859 1.664 . . . . 0.0 114.16 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -67.11 -15.26 63.6 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 165.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -134.54 -47.92 0.76 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.809 1.244 . . . . 0.0 113.07 -168.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.5 m -81.9 -9.68 59.52 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -167.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.1 34.01 71.57 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.547 1.07 . . . . 0.0 114.238 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -127.12 111.49 21.62 Favored Pre-proline 0 N--CA 1.474 0.75 0 C-N-CA 125.78 1.632 . . . . 0.0 110.658 -165.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -51.69 -32.47 45.4 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 124.98 3.786 . . . . 0.0 116.869 -176.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.69 34.18 1.2 Allowed Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.774 1.654 . . . . 0.0 115.34 -176.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.7 m80 -102.19 158.65 16.02 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.909 1.283 . . . . 0.0 113.525 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -153.33 169.35 23.31 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 128.981 2.912 . . . . 0.0 108.414 -172.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.9 m -56.74 -14.56 3.44 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 169.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.4 p -104.12 -8.47 19.44 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.657 1.983 . . . . 0.0 113.83 176.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -92.97 -41.45 10.0 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.562 1.145 . . . . 0.0 111.293 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.8 m -142.95 175.46 9.82 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 127.173 2.189 . . . . 0.0 110.703 168.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -36.33 60.72 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.022 1.329 . . . . 0.0 113.517 178.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.88 160.16 27.25 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 124.562 1.145 . . . . 0.0 112.922 173.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -73.18 173.22 14.04 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.845 2.363 . . . . 0.0 111.566 160.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -55.24 -12.64 1.03 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 127.35 2.26 . . . . 0.0 115.851 -177.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -56.32 -34.86 41.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 126.052 1.741 . . . . 0.0 112.724 167.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 t -149.63 -153.7 0.51 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.422 1.489 . . . . 0.0 111.062 -169.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -139.49 -17.98 0.99 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.985 2.114 . . . . 0.0 113.012 169.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -155.98 -59.28 0.1 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.315 1.046 . . . . 0.0 113.819 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.6 p -77.92 -29.68 50.2 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -168.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.8 pttm 43.14 26.65 0.09 Allowed 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 118.346 2.721 . . . . 0.0 118.346 165.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -68.17 152.7 96.3 Favored Pre-proline 0 CA--C 1.552 1.052 0 O-C-N 121.147 -0.971 . . . . 0.0 112.537 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -52.45 -18.84 8.78 Favored 'Trans proline' 0 CA--C 1.543 0.934 1 C-N-CA 125.545 4.164 . . . . 0.0 119.943 -167.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.75 1.6 0.27 Allowed Glycine 0 N--CA 1.477 1.403 0 N-CA-C 116.346 1.299 . . . . 0.0 116.346 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -64.16 -29.18 70.31 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.609 1.204 . . . . 0.0 113.939 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -63.29 -40.85 98.53 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.818 1.247 . . . . 0.0 112.672 -165.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.0 m -62.8 -4.8 2.29 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.27 1.428 . . . . 0.0 114.668 175.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -129.99 3.48 4.85 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.623 1.969 . . . . 0.0 113.014 -175.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -152.09 -64.44 0.17 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.111 0.964 . . . . 0.0 112.94 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 82.6 m -91.92 -16.43 26.64 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -164.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -144.83 15.47 1.56 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.056 1.742 . . . . 0.0 113.3 -171.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.9 m . . . . . 0 C--O 1.252 1.228 0 C-N-CA 127.669 2.388 . . . . 0.0 114.357 -178.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 . . . . . 0 N--CA 1.485 1.305 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.1 m -50.8 135.54 23.71 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.051 1.34 . . . . 0.0 113.724 -172.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.7 t -57.57 151.3 17.22 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.964 1.706 . . . . 0.0 114.308 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -66.76 -15.26 63.43 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 165.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -135.55 -47.73 0.69 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.776 1.23 . . . . 0.0 113.065 -169.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.0 m -83.19 -10.16 58.76 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -167.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.86 31.0 70.72 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 124.704 1.145 . . . . 0.0 114.821 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -125.53 117.77 24.77 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.71 1.604 . . . . 0.0 110.751 -169.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -52.11 -32.32 48.76 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 125.053 3.835 . . . . 0.0 116.906 -176.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.65 36.69 1.4 Allowed Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.684 1.611 . . . . 0.0 115.318 -175.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -105.86 153.57 21.76 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.818 1.247 . . . . 0.0 113.447 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.3 mt -155.89 173.88 16.13 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 129.509 3.123 . . . . 0.0 108.143 -175.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.0 m -54.07 -24.83 18.81 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 165.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.9 m -85.61 4.24 37.16 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.765 1.626 . . . . 0.0 113.946 175.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -124.59 -44.01 1.99 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.213 1.405 . . . . 0.0 111.902 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.8 m -143.15 174.58 10.57 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.69 1.996 . . . . 0.0 111.384 168.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -40.28 65.75 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.703 1.201 . . . . 0.0 113.037 177.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.49 159.1 30.95 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 124.645 1.178 . . . . 0.0 112.563 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -72.76 173.78 12.88 Favored 'Trans proline' 0 CA--C 1.544 1.001 0 C-N-CA 123.083 2.522 . . . . 0.0 111.575 161.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -54.6 -14.46 1.33 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.275 2.23 . . . . 0.0 115.602 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.0 t -53.54 -35.49 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.696 1.599 . . . . 0.0 112.684 167.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.5 t -150.23 -152.77 0.45 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.305 1.442 . . . . 0.0 111.154 -170.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -140.25 -20.34 0.86 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.973 2.109 . . . . 0.0 112.895 169.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -156.96 -57.52 0.09 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.496 1.119 . . . . 0.0 113.83 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.4 p -75.59 -30.16 59.52 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -169.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.3 pttt 42.43 27.04 0.07 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 128.676 2.79 . . . . 0.0 118.48 164.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -67.84 153.18 95.61 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 124.198 0.999 . . . . 0.0 112.529 177.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -51.74 -20.93 10.37 Favored 'Trans proline' 0 CA--C 1.542 0.923 1 C-N-CA 125.542 4.161 . . . . 0.0 119.842 -167.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.08 2.38 0.28 Allowed Glycine 0 N--CA 1.478 1.436 0 N-CA-C 116.337 1.295 . . . . 0.0 116.337 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -63.4 -29.79 71.02 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.585 1.192 . . . . 0.0 114.101 -177.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -62.3 -41.37 98.46 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.907 1.283 . . . . 0.0 113.101 -163.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.0 m -62.04 -8.76 5.78 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -127.22 7.57 6.52 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.652 1.981 . . . . 0.0 112.933 -176.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -149.38 -47.46 0.14 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.2 m -111.96 -24.38 9.98 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.15 0.98 . . . . 0.0 113.622 -164.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -125.75 11.59 7.85 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 127.965 2.506 . . . . 0.0 112.173 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.254 1.303 0 C-N-CA 127.573 2.349 . . . . 0.0 114.489 -177.786 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 . . . . . 0 N--CA 1.485 1.306 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 m -51.07 133.99 27.0 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.08 1.352 . . . . 0.0 113.832 -172.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.1 t -55.82 149.55 14.55 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.809 1.643 . . . . 0.0 114.147 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -63.03 -20.21 65.1 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 166.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -131.83 -48.73 0.95 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.087 1.355 . . . . 0.0 113.062 -169.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 m -81.38 -19.62 42.28 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -166.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.49 6.79 56.14 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.988 1.28 . . . . 0.0 115.779 -176.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.92 124.8 72.11 Favored Pre-proline 0 N--CA 1.48 1.048 0 CA-C-N 119.16 1.48 . . . . 0.0 110.587 176.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.88 -32.02 65.33 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 124.718 3.612 . . . . 0.0 115.998 174.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.24 36.42 1.75 Allowed Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.759 1.647 . . . . 0.0 115.209 -174.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -104.37 156.93 17.51 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 122.59 1.186 . . . . 0.0 113.472 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.2 mt -154.96 171.56 19.51 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 129.355 3.062 . . . . 0.0 108.208 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.8 m -56.67 -17.57 9.27 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.109 1.364 . . . . 0.0 114.607 169.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.3 p -96.21 -4.13 43.01 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.502 1.921 . . . . 0.0 113.934 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -106.68 -41.64 5.19 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.284 1.433 . . . . 0.0 111.146 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.2 m -143.72 174.45 10.79 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.585 2.354 . . . . 0.0 110.167 167.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -56.05 -31.96 63.62 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.819 1.247 . . . . 0.0 114.131 178.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.66 161.34 24.94 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 124.396 1.078 . . . . 0.0 113.427 170.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -71.51 169.6 20.54 Favored 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 123.013 2.475 . . . . 0.0 111.395 157.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -56.15 -16.68 5.56 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.449 1.9 . . . . 0.0 116.022 -173.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.37 -33.54 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.55 1.54 . . . . 0.0 112.529 169.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.9 t -148.92 -158.69 0.94 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.963 1.705 . . . . 0.0 110.945 -171.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -130.19 -17.88 3.37 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.143 2.177 . . . . 0.0 112.592 165.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -157.22 -61.68 0.09 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.705 1.202 . . . . 0.0 113.455 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.28 -32.61 74.12 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.815 1.646 . . . . 0.0 115.319 -169.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? 44.42 20.6 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 119.04 2.978 . . . . 0.0 119.04 170.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -65.26 151.66 93.48 Favored Pre-proline 0 CA--C 1.554 1.099 0 O-C-N 121.091 -1.006 . . . . 0.0 112.405 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -51.73 -23.84 16.54 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 125.19 3.926 . . . . 0.0 119.466 -166.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.28 4.06 0.58 Allowed Glycine 0 CA--C 1.536 1.385 0 N-CA-C 116.005 1.162 . . . . 0.0 116.005 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -64.2 -27.16 68.88 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -61.77 -41.73 98.08 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.954 0.902 . . . . 0.0 112.187 -169.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.6 m -60.38 -6.46 1.55 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -133.99 12.33 3.95 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.186 1.794 . . . . 0.0 114.035 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -150.34 -51.6 0.14 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 176.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.5 m -107.79 -3.33 19.15 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.926 1.29 . . . . 0.0 113.622 -168.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.8 tpp85 -152.64 19.37 0.62 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 127.195 2.198 . . . . 0.0 113.052 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.6 m . . . . . 0 C--O 1.251 1.16 0 C-N-CA 127.001 2.12 . . . . 0.0 114.088 -179.206 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 m -50.18 136.31 19.7 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.06 1.344 . . . . 0.0 113.717 -173.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.4 t -56.88 151.34 14.74 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.471 1.508 . . . . 0.0 114.193 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -66.78 -14.9 63.16 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 165.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -135.54 -47.79 0.69 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.909 1.284 . . . . 0.0 113.059 -169.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.6 m -82.88 -8.93 59.53 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -166.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.86 33.55 74.0 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.491 1.043 . . . . 0.0 114.493 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -127.47 111.29 21.03 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 125.821 1.648 . . . . 0.0 110.701 -166.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -50.63 -32.56 36.12 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 125.258 3.972 . . . . 0.0 117.046 -176.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.64 33.27 1.2 Allowed Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.773 1.654 . . . . 0.0 115.365 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -101.82 158.44 16.12 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.685 1.194 . . . . 0.0 113.436 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.5 mt -154.32 171.97 18.42 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 129.185 2.994 . . . . 0.0 108.248 -175.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.5 p -57.69 -18.13 19.08 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 167.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.8 p -93.0 -5.9 49.57 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.161 1.784 . . . . 0.0 114.085 173.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -104.72 -41.89 5.54 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.907 1.283 . . . . 0.0 111.562 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.4 m -142.55 174.82 10.29 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.045 2.138 . . . . 0.0 110.862 167.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -36.7 53.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.881 1.272 . . . . 0.0 113.41 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.19 159.47 28.91 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 124.866 1.267 . . . . 0.0 112.295 172.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -71.72 173.79 12.09 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.844 2.362 . . . . 0.0 111.178 159.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -54.58 -12.63 0.77 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 127.657 2.383 . . . . 0.0 115.619 -178.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.1 t -54.85 -37.28 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 126.3 1.84 . . . . 0.0 112.84 167.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.7 t -149.44 -157.24 0.8 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.589 1.555 . . . . 0.0 110.832 -170.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -137.85 -10.32 1.57 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.694 1.997 . . . . 0.0 112.865 168.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -158.65 -62.21 0.08 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.305 1.442 . . . . 0.0 112.624 -171.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -36.29 58.91 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.63 1.572 . . . . 0.0 113.671 -164.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.7 pttm 44.08 24.16 0.07 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 128.251 2.62 . . . . 0.0 117.686 171.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -70.23 150.77 95.97 Favored Pre-proline 0 CA--C 1.551 0.991 0 O-C-N 121.156 -0.965 . . . . 0.0 112.061 176.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_exo -52.46 -18.83 8.79 Favored 'Trans proline' 0 CA--C 1.543 0.93 1 C-N-CA 125.559 4.172 . . . . 0.0 119.906 -167.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -155.14 7.39 0.3 Allowed Glycine 0 CA--C 1.535 1.302 0 N-CA-C 116.246 1.258 . . . . 0.0 116.246 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -67.51 -30.81 70.58 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 118.863 1.331 . . . . 0.0 113.832 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -62.03 -41.78 98.47 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.237 1.415 . . . . 0.0 113.41 -163.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.1 m -63.97 -4.84 3.71 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -128.5 8.43 5.91 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.124 1.769 . . . . 0.0 113.331 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -150.9 -57.97 0.17 Allowed 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 67.2 m -101.43 -15.48 17.17 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -164.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.77 15.72 1.77 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.217 1.807 . . . . 0.0 113.041 -173.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 C--O 1.253 1.273 0 C-N-CA 127.689 2.395 . . . . 0.0 114.396 -179.156 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 110.532 -0.173 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.9 m -51.33 137.72 22.63 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.639 1.575 . . . . 0.0 114.611 -168.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.9 t -57.54 151.35 17.03 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.978 1.711 . . . . 0.0 114.293 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -67.61 -13.89 62.47 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 165.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -135.05 -48.32 0.73 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.84 1.256 . . . . 0.0 113.103 -169.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.7 m -81.81 -9.82 59.51 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -166.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.3 33.45 70.63 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.377 0.989 . . . . 0.0 114.337 -178.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -126.8 112.27 22.35 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 125.85 1.66 . . . . 0.0 110.458 -166.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -51.61 -31.75 41.57 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 124.931 3.754 . . . . 0.0 116.757 -177.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.5 38.92 1.23 Allowed Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.94 1.733 . . . . 0.0 115.234 -176.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -109.87 157.2 19.47 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.171 1.388 . . . . 0.0 113.574 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.4 mt -155.8 172.45 18.31 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 129.348 3.059 . . . . 0.0 108.476 -175.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.6 m -55.01 -18.4 5.1 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.424 1.489 . . . . 0.0 114.85 169.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.3 p -97.26 -6.3 34.82 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.506 1.922 . . . . 0.0 114.037 176.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -102.11 -40.84 6.64 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.735 1.214 . . . . 0.0 111.705 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.1 m -143.19 174.87 10.33 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.863 2.065 . . . . 0.0 111.069 167.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.42 -35.56 52.29 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.021 1.328 . . . . 0.0 113.49 178.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.49 159.79 28.18 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 124.424 1.089 . . . . 0.0 113.064 171.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -72.39 170.21 19.82 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.909 2.406 . . . . 0.0 111.306 158.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -53.06 -20.23 3.44 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.942 2.097 . . . . 0.0 115.495 -176.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.1 t -51.54 -32.49 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 126.317 1.847 . . . . 0.0 112.934 170.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 t -149.35 -156.78 0.75 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.056 1.743 . . . . 0.0 110.911 -171.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -136.76 -19.91 1.33 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.177 2.191 . . . . 0.0 113.02 169.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -156.0 -56.6 0.09 Allowed 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.25 -32.35 62.92 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -170.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 pttm 43.19 24.88 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 118.724 2.861 . . . . 0.0 118.724 165.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -67.76 152.52 96.26 Favored Pre-proline 0 CA--C 1.553 1.07 0 O-C-N 121.024 -1.048 . . . . 0.0 112.446 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -52.35 -20.31 11.25 Favored 'Trans proline' 0 CA--C 1.543 0.965 1 C-N-CA 125.371 4.047 . . . . 0.0 119.56 -168.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.4 2.39 0.4 Allowed Glycine 0 CA--C 1.535 1.317 0 N-CA-C 116.277 1.271 . . . . 0.0 116.277 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -62.93 -29.92 71.16 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.693 1.247 . . . . 0.0 113.848 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -61.85 -40.36 95.06 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.335 1.054 . . . . 0.0 112.187 -168.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.7 m -59.43 -7.53 1.41 Allowed 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 176.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -135.21 14.6 3.52 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.087 1.755 . . . . 0.0 114.072 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -149.66 -54.12 0.16 Allowed 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 175.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 67.9 m -106.13 -3.76 21.09 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.971 1.309 . . . . 0.0 113.655 -168.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -153.19 20.38 0.57 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 127.124 2.169 . . . . 0.0 113.011 -176.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.253 1.261 0 C-N-CA 127.103 2.161 . . . . 0.0 114.214 -179.429 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.0 m -50.63 136.84 20.79 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.736 1.215 . . . . 0.0 113.417 -174.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.5 t -57.61 151.11 17.77 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.429 1.492 . . . . 0.0 114.055 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -66.38 -14.8 62.65 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 165.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -136.08 -47.97 0.66 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.839 1.256 . . . . 0.0 113.141 -169.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.7 m -82.78 -9.08 59.51 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -166.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.02 33.28 73.52 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.458 1.028 . . . . 0.0 114.479 -178.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -126.53 112.35 23.02 Favored Pre-proline 0 CA--C 1.545 0.762 0 C-N-CA 125.86 1.664 . . . . 0.0 110.646 -166.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -51.39 -32.84 43.95 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 125.098 3.865 . . . . 0.0 116.937 -177.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.14 32.8 1.31 Allowed Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.744 1.64 . . . . 0.0 115.418 -176.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -100.53 157.67 16.49 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.742 1.217 . . . . 0.0 113.389 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.3 mt -154.55 171.56 19.22 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 128.824 2.85 . . . . 0.0 108.628 -173.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.7 m -55.29 -13.5 1.38 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.075 1.75 . . . . 0.0 115.523 171.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.8 p -108.84 -8.26 15.34 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.58 1.952 . . . . 0.0 113.747 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -92.55 -39.05 11.57 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.644 1.178 . . . . 0.0 111.278 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.1 m -142.79 176.09 9.32 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.182 2.193 . . . . 0.0 110.766 166.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -35.7 61.29 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.638 1.175 . . . . 0.0 113.295 176.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.81 159.93 27.43 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 124.759 1.224 . . . . 0.0 112.964 172.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.84 173.9 12.74 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 123.07 2.513 . . . . 0.0 111.46 159.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -53.96 -13.47 0.78 Allowed 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 128.019 2.528 . . . . 0.0 115.776 -178.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.1 -35.55 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 126.008 1.723 . . . . 0.0 112.723 167.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.4 t -150.04 -154.17 0.54 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 125.384 1.474 . . . . 0.0 111.181 -168.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -137.22 -20.9 1.21 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.621 1.968 . . . . 0.0 112.969 169.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -157.15 -55.23 0.08 Allowed 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.38 -31.25 62.3 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -170.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 pttm 42.82 26.78 0.08 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 128.473 2.709 . . . . 0.0 118.303 166.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -67.61 151.73 96.91 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 124.002 0.921 . . . . 0.0 112.357 177.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -51.8 -20.9 10.54 Favored 'Trans proline' 0 C--N 1.354 0.868 1 C-N-CA 125.496 4.131 . . . . 0.0 119.806 -167.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.47 8.72 0.38 Allowed Glycine 0 N--CA 1.475 1.293 0 N-CA-C 116.143 1.217 . . . . 0.0 116.143 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -68.01 -31.35 70.97 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.745 1.273 . . . . 0.0 113.723 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -62.16 -40.25 95.37 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.191 1.396 . . . . 0.0 113.273 -163.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.7 m -63.47 -6.14 4.63 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -128.09 8.08 6.1 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.183 1.793 . . . . 0.0 113.231 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -149.71 -65.88 0.21 Allowed 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.009 0.822 . . . . 0.0 112.923 177.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 73.5 m -91.09 -16.8 27.24 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -165.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.14 15.96 1.89 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.999 1.719 . . . . 0.0 113.326 -172.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.252 1.233 0 C-N-CA 127.474 2.309 . . . . 0.0 114.361 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.4 m -50.46 135.11 22.92 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.853 1.261 . . . . 0.0 113.61 -172.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.0 t -56.93 151.13 15.29 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.59 1.556 . . . . 0.0 114.445 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -66.41 -16.1 63.82 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 165.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -136.19 -47.65 0.65 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.844 1.258 . . . . 0.0 113.046 -168.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 54.0 m -82.4 -9.82 59.3 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -167.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.51 31.53 70.83 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.751 1.167 . . . . 0.0 114.676 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -125.58 115.97 24.94 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 125.779 1.631 . . . . 0.0 110.723 -167.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -51.82 -33.07 49.16 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 125.084 3.856 . . . . 0.0 116.891 -177.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.24 36.85 1.32 Allowed Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.937 1.732 . . . . 0.0 115.345 -175.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -106.63 156.35 18.7 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.902 1.281 . . . . 0.0 113.253 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.0 mt -155.43 173.66 16.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 129.434 3.094 . . . . 0.0 108.121 -176.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.1 p -57.85 -19.76 31.41 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 167.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.5 p -87.85 -3.44 58.94 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.184 1.794 . . . . 0.0 114.229 172.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -114.26 -40.35 3.69 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.307 1.443 . . . . 0.0 111.797 -175.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.4 m -143.58 172.44 12.8 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.882 2.073 . . . . 0.0 110.767 168.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.89 -34.72 60.3 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.321 1.448 . . . . 0.0 113.78 176.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.81 160.26 27.39 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 124.802 1.241 . . . . 0.0 112.526 171.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -73.44 175.3 10.82 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 123.053 2.502 . . . . 0.0 111.399 159.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -53.27 -14.47 0.72 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 127.84 2.456 . . . . 0.0 115.66 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.1 t -55.1 -36.2 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.844 1.658 . . . . 0.0 112.722 167.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 t -149.77 -154.02 0.53 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.47 1.508 . . . . 0.0 111.056 -169.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -139.1 -18.55 1.01 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.91 2.084 . . . . 0.0 113.054 169.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -156.61 -58.98 0.09 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.366 1.067 . . . . 0.0 113.798 -177.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -76.1 -30.04 58.13 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -169.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 pttm 43.27 26.52 0.1 Allowed 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 118.187 2.662 . . . . 0.0 118.187 166.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -68.24 152.93 96.18 Favored Pre-proline 0 CA--C 1.551 0.993 0 O-C-N 121.126 -0.984 . . . . 0.0 112.592 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -52.4 -19.79 10.4 Favored 'Trans proline' 0 CA--C 1.542 0.906 1 C-N-CA 125.495 4.13 . . . . 0.0 119.934 -167.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.1 2.1 0.27 Allowed Glycine 0 CA--C 1.537 1.437 0 N-CA-C 116.318 1.287 . . . . 0.0 116.318 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -64.23 -27.67 69.22 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.553 1.177 . . . . 0.0 114.146 -177.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -63.78 -41.74 97.88 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.586 1.155 . . . . 0.0 112.628 -167.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.9 m -63.88 -5.07 3.83 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -134.17 11.3 3.87 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.119 1.767 . . . . 0.0 113.967 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -149.66 -66.98 0.21 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.733 0.813 . . . . 0.0 112.51 175.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 80.6 m -90.21 -16.28 29.74 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -166.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.85 15.77 1.76 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.005 1.722 . . . . 0.0 113.326 -171.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.251 1.176 0 C-N-CA 127.625 2.37 . . . . 0.0 114.282 -179.536 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 85.1 m -120.21 144.26 47.82 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.127 1.771 . . . . 0.0 109.511 -177.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.8 t -64.3 149.76 47.48 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -172.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -70.27 -17.16 63.1 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 165.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -137.47 -49.44 0.6 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.519 1.128 . . . . 0.0 113.288 -166.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.8 m -72.4 -22.02 61.18 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.655 1.182 . . . . 0.0 113.067 -174.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.63 5.6 45.59 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 125.169 1.366 . . . . 0.0 114.941 -172.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.9 150.13 49.51 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.338 1.455 . . . . 0.0 111.923 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.97 -169.23 0.43 Allowed 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 124.077 3.185 . . . . 0.0 110.729 161.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.1 29.31 72.43 Favored Glycine 0 CA--C 1.535 1.301 0 O-C-N 120.869 -1.144 . . . . 0.0 113.607 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -113.18 144.94 41.82 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.269 1.428 . . . . 0.0 112.026 -173.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.1 mt -155.94 173.49 16.7 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 128.481 2.712 . . . . 0.0 108.789 -171.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 m -54.46 -20.29 7.31 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.52 1.528 . . . . 0.0 114.607 168.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.1 p -93.3 -4.1 52.35 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.493 1.917 . . . . 0.0 114.208 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -109.59 -41.65 4.51 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.338 1.455 . . . . 0.0 111.389 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.3 m -143.24 170.86 14.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.406 2.282 . . . . 0.0 110.564 174.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -56.15 -31.6 63.51 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.805 1.242 . . . . 0.0 113.849 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.84 160.85 29.08 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.122 1.369 . . . . 0.0 111.827 166.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -72.39 174.6 11.29 Favored 'Trans proline' 0 CA--C 1.547 1.139 0 C-N-CA 122.766 2.311 . . . . 0.0 111.413 159.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -53.7 -13.12 0.61 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 127.676 2.39 . . . . 0.0 115.953 -178.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -55.78 -36.41 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 126.009 1.724 . . . . 0.0 112.74 167.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.4 t -149.73 -152.22 0.43 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.519 1.528 . . . . 0.0 110.92 -169.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -139.46 -21.65 0.91 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.75 2.02 . . . . 0.0 113.006 169.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -156.08 -55.99 0.09 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.2 p -76.25 -31.14 58.17 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -170.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.5 pttm 42.67 27.2 0.09 Allowed 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 118.453 2.76 . . . . 0.0 118.453 165.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -68.12 153.23 95.71 Favored Pre-proline 0 CA--C 1.553 1.076 0 O-C-N 121.116 -0.99 . . . . 0.0 112.546 177.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -52.34 -19.29 9.29 Favored 'Trans proline' 0 CA--C 1.544 0.993 1 C-N-CA 125.555 4.17 . . . . 0.0 119.983 -167.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.7 1.09 0.26 Allowed Glycine 0 CA--C 1.536 1.37 0 N-CA-C 116.325 1.29 . . . . 0.0 116.325 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -63.54 -28.0 69.65 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 118.663 1.231 . . . . 0.0 113.956 -177.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -62.42 -41.36 98.64 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.498 1.119 . . . . 0.0 112.221 -170.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.3 m -63.99 -3.75 2.83 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.501 1.52 . . . . 0.0 114.976 176.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -135.11 9.63 3.51 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.907 1.683 . . . . 0.0 114.348 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -150.52 -59.14 0.18 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 79.6 m -100.26 -17.69 17.2 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -165.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.32 3.79 1.96 Allowed 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 126.17 1.788 . . . . 0.0 113.398 -176.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 C--O 1.252 1.195 0 C-N-CA 127.172 2.189 . . . . 0.0 114.021 174.395 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.9 m -51.04 132.96 27.85 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.341 1.457 . . . . 0.0 114.241 -170.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.3 t -53.58 147.28 11.43 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.441 1.497 . . . . 0.0 113.973 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.41 -15.21 60.15 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 167.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -140.2 -40.54 0.43 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -172.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.9 m -75.54 -15.9 60.33 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -177.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.87 32.39 74.76 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.238 0.923 . . . . 0.0 114.339 -175.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -123.28 114.78 28.97 Favored Pre-proline 0 N--CA 1.475 0.806 0 C-N-CA 125.804 1.642 . . . . 0.0 110.948 -167.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 99.6 Cg_exo -51.29 -34.18 48.48 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 125.239 3.96 . . . . 0.0 117.112 -175.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.0 31.47 1.31 Allowed Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.623 1.582 . . . . 0.0 115.509 -175.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -98.46 156.3 16.83 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 122.514 1.149 . . . . 0.0 113.504 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.2 mt -153.86 172.3 17.59 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 128.757 2.823 . . . . 0.0 108.735 -173.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.2 m -54.45 -12.58 0.72 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.623 1.969 . . . . 0.0 116.042 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.0 m -120.27 2.27 10.83 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.841 1.657 . . . . 0.0 113.377 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -93.28 -42.43 9.33 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.282 1.033 . . . . 0.0 110.803 174.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.1 m -142.06 178.13 7.74 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.568 2.347 . . . . 0.0 109.997 164.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -36.72 63.58 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.579 1.152 . . . . 0.0 113.465 178.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.73 160.49 25.4 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 124.587 1.155 . . . . 0.0 113.303 173.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -71.89 169.48 21.14 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 122.959 2.44 . . . . 0.0 111.186 158.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -59.49 -4.75 0.66 Allowed 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 116.693 2.108 . . . . 0.0 116.693 -177.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.4 t -56.52 -34.6 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.317 1.447 . . . . 0.0 111.999 163.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 t -148.83 -155.55 0.64 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.878 1.671 . . . . 0.0 111.018 -170.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -135.58 -19.82 1.61 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.563 1.945 . . . . 0.0 112.992 168.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -157.16 -55.45 0.08 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.52 -30.37 61.76 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -170.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.2 pttm 42.74 26.63 0.07 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 118.468 2.766 . . . . 0.0 118.468 166.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -67.73 152.09 96.61 Favored Pre-proline 0 CA--C 1.552 1.038 0 O-C-N 121.149 -0.969 . . . . 0.0 112.449 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -51.75 -20.71 10.03 Favored 'Trans proline' 0 C--N 1.356 0.936 1 C-N-CA 125.493 4.129 . . . . 0.0 119.901 -167.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.25 4.09 0.33 Allowed Glycine 0 N--CA 1.478 1.448 0 N-CA-C 116.299 1.28 . . . . 0.0 116.299 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -65.43 -30.13 70.9 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.767 1.284 . . . . 0.0 113.951 -177.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -61.82 -39.29 91.26 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.026 1.33 . . . . 0.0 113.103 -164.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.2 m -62.93 -5.53 2.99 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.188 1.395 . . . . 0.0 114.725 176.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -126.6 3.67 6.82 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.221 1.809 . . . . 0.0 113.434 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -150.47 -63.56 0.2 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.657 0.783 . . . . 0.0 112.94 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 66.6 m -91.62 -17.54 25.4 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -165.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.99 15.58 1.91 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.077 1.751 . . . . 0.0 113.292 -171.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--O 1.253 1.24 0 C-N-CA 127.537 2.335 . . . . 0.0 114.32 -179.865 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 . . . . . 0 N--CA 1.485 1.317 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 m -51.31 135.32 26.87 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.077 1.351 . . . . 0.0 113.921 -171.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.9 t -55.53 151.28 10.72 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.872 1.669 . . . . 0.0 114.065 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -65.57 -15.8 63.07 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 165.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -136.07 -49.75 0.69 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.895 1.278 . . . . 0.0 113.145 -168.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.3 m -81.16 -19.28 43.76 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -166.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.12 5.75 54.53 Favored Glycine 0 CA--C 1.541 1.668 0 C-N-CA 125.026 1.298 . . . . 0.0 115.866 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.31 123.6 74.83 Favored Pre-proline 0 N--CA 1.479 1.024 0 CA-C-N 119.196 1.498 . . . . 0.0 110.682 176.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -53.9 -31.78 64.47 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 124.725 3.617 . . . . 0.0 115.874 174.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.45 32.68 1.6 Allowed Glycine 0 CA--C 1.535 1.341 0 C-N-CA 125.775 1.655 . . . . 0.0 115.313 -175.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -96.9 156.25 16.43 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 122.538 1.161 . . . . 0.0 113.41 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.7 mt -153.12 170.5 20.36 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 128.797 2.839 . . . . 0.0 108.624 -173.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.2 m -55.71 -12.99 1.44 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.206 1.802 . . . . 0.0 115.689 173.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.7 p -111.48 -8.95 14.24 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.434 1.894 . . . . 0.0 113.769 177.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -86.74 -41.55 14.04 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.413 1.085 . . . . 0.0 110.861 176.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.9 m -144.3 175.29 10.2 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.849 2.459 . . . . 0.0 110.108 168.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -55.88 -33.68 64.8 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.099 1.36 . . . . 0.0 113.941 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.71 161.02 25.36 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 124.365 1.066 . . . . 0.0 113.325 172.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -73.16 174.2 12.43 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 123.247 2.632 . . . . 0.0 111.647 158.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -55.62 -10.42 0.68 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 127.134 2.173 . . . . 0.0 115.802 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.8 t -56.67 -36.06 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.686 1.594 . . . . 0.0 112.344 166.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.2 t -149.31 -152.8 0.46 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.511 1.524 . . . . 0.0 111.051 -169.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -137.91 -22.06 1.08 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.744 2.017 . . . . 0.0 112.852 169.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -157.27 -53.9 0.08 Allowed 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.09 -31.45 62.83 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -170.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 pttm 42.84 25.89 0.06 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 118.509 2.781 . . . . 0.0 118.509 166.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -67.22 152.56 95.98 Favored Pre-proline 0 CA--C 1.551 1.017 0 O-C-N 121.17 -0.956 . . . . 0.0 112.45 177.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -52.23 -19.13 8.67 Favored 'Trans proline' 0 CA--C 1.544 0.993 1 C-N-CA 125.578 4.185 . . . . 0.0 120.009 -167.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.64 -0.01 0.24 Allowed Glycine 0 CA--C 1.538 1.492 0 N-CA-C 116.28 1.272 . . . . 0.0 116.28 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -62.77 -29.2 70.52 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.691 1.246 . . . . 0.0 114.082 -177.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -61.53 -41.75 97.81 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.042 1.337 . . . . 0.0 112.494 -167.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.5 m -62.02 -5.74 2.41 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.229 1.412 . . . . 0.0 114.725 175.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -128.1 2.2 5.85 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.69 1.996 . . . . 0.0 113.444 -176.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -151.29 -56.2 0.15 Allowed 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 82.0 m -101.3 -18.65 16.0 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -165.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -139.4 4.3 2.18 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.702 2.001 . . . . 0.0 112.963 -176.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.2 p . . . . . 0 C--O 1.254 1.327 0 C-N-CA 127.29 2.236 . . . . 0.0 113.935 174.462 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 91.0 m -125.29 142.87 51.25 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.007 1.723 . . . . 0.0 109.722 -176.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 t -63.65 149.25 46.94 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 -172.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -67.42 -22.3 65.53 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 166.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -139.71 -39.75 0.46 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -167.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.4 m -69.52 -22.37 63.59 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.079 0.952 . . . . 0.0 113.056 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.5 2.27 20.16 Favored Glycine 0 CA--C 1.542 1.72 0 C-N-CA 125.267 1.413 . . . . 0.0 114.864 -170.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -83.67 146.22 49.28 Favored Pre-proline 0 N--CA 1.472 0.651 0 C-N-CA 125.63 1.572 . . . . 0.0 112.345 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -70.23 -171.1 0.47 Allowed 'Trans proline' 0 CA--C 1.545 1.047 0 C-N-CA 123.739 2.959 . . . . 0.0 111.015 161.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.07 29.77 73.69 Favored Glycine 0 CA--C 1.535 1.283 0 O-C-N 120.848 -1.157 . . . . 0.0 113.538 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -113.81 146.16 40.37 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 125.256 1.423 . . . . 0.0 112.145 -173.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.1 mt -155.56 173.38 16.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 128.429 2.691 . . . . 0.0 108.932 -171.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.8 m -54.95 -20.27 8.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.45 1.5 . . . . 0.0 114.624 168.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.7 p -92.74 -5.4 51.32 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.412 1.885 . . . . 0.0 114.126 175.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -107.36 -41.55 5.06 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.252 1.421 . . . . 0.0 111.294 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.7 m -143.8 171.32 14.38 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.452 2.301 . . . . 0.0 110.674 174.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -55.03 -32.21 61.67 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.949 1.299 . . . . 0.0 113.879 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.72 160.0 29.44 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 124.779 1.232 . . . . 0.0 111.956 167.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -72.38 173.85 12.48 Favored 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 122.794 2.329 . . . . 0.0 111.233 158.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -55.35 -12.07 0.96 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 127.112 2.165 . . . . 0.0 115.918 -176.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.1 t -55.31 -36.2 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.826 1.65 . . . . 0.0 112.703 167.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.5 t -150.26 -153.97 0.52 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.376 1.47 . . . . 0.0 111.271 -169.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -138.49 -19.2 1.08 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.853 2.061 . . . . 0.0 112.975 169.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -155.38 -59.01 0.1 Allowed 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -176.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.9 p -79.29 -28.74 42.27 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -169.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.4 pttm 42.87 28.56 0.14 Allowed 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 118.126 2.639 . . . . 0.0 118.126 164.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -67.93 152.18 96.59 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 123.949 0.9 . . . . 0.0 112.385 177.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -51.99 -21.8 13.07 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 125.289 3.993 . . . . 0.0 119.696 -167.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.71 8.59 0.45 Allowed Glycine 0 N--CA 1.477 1.367 0 N-CA-C 116.024 1.17 . . . . 0.0 116.024 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -67.66 -30.77 70.41 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.707 1.253 . . . . 0.0 113.658 -178.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -62.62 -40.64 97.61 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.873 1.269 . . . . 0.0 113.34 -161.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.7 m -63.31 -5.25 3.24 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 176.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -128.03 7.79 6.1 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.273 1.829 . . . . 0.0 113.282 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -150.2 -62.86 0.21 Allowed 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.155 0.889 . . . . 0.0 113.197 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 85.0 m -95.35 -15.87 22.78 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 -165.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.0 15.49 1.91 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.127 1.771 . . . . 0.0 113.259 -172.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.255 1.385 0 C-N-CA 127.632 2.373 . . . . 0.0 114.382 -179.575 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.713 0.292 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 93.8 m -123.4 145.55 48.69 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.652 1.981 . . . . 0.0 109.427 -175.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 t -64.74 150.67 46.9 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -175.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -70.35 -18.14 63.07 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 165.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -140.7 -43.63 0.4 Allowed 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -166.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.0 m -69.2 -21.49 63.95 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.134 0.973 . . . . 0.0 113.474 -177.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.87 23.7 71.09 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 124.225 0.917 . . . . 0.0 113.953 -172.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -111.73 146.83 35.53 Favored Pre-proline 0 N--CA 1.475 0.812 0 C-N-CA 125.829 1.652 . . . . 0.0 111.936 -174.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -72.28 -168.98 0.42 Allowed 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 123.968 3.112 . . . . 0.0 110.638 163.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 61.47 29.33 71.39 Favored Glycine 0 CA--C 1.535 1.285 0 O-C-N 120.925 -1.11 . . . . 0.0 113.136 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -115.65 150.94 35.93 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.358 1.463 . . . . 0.0 111.681 -173.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.3 mt -153.78 171.2 19.27 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.921 2.488 . . . . 0.0 108.844 -173.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 m -57.01 -3.46 0.12 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.303 2.241 . . . . 0.0 115.886 171.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.0 p -122.25 -13.22 8.15 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.009 2.124 . . . . 0.0 113.662 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -78.13 -39.46 41.15 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.02 0.928 . . . . 0.0 110.644 170.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.9 m -139.88 174.37 10.58 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.629 2.372 . . . . 0.0 110.263 173.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -34.07 57.22 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.539 1.135 . . . . 0.0 113.236 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.94 160.02 30.11 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.661 1.584 . . . . 0.0 111.075 167.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.18 175.71 9.53 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 122.61 2.207 . . . . 0.0 111.287 159.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -53.1 -14.45 0.64 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 127.483 2.313 . . . . 0.0 115.602 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.9 t -54.13 -37.12 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.14 1.776 . . . . 0.0 112.955 167.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.6 t -149.61 -152.28 0.43 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.436 1.494 . . . . 0.0 111.083 -169.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -141.51 -23.35 0.73 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.85 2.06 . . . . 0.0 112.972 170.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -155.28 -54.69 0.09 Allowed 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.201 1.185 . . . . 0.0 114.201 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.1 p -76.86 -30.02 56.1 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -170.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.0 pttm 43.6 26.75 0.13 Allowed 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 118.359 2.725 . . . . 0.0 118.359 164.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -68.42 152.71 96.42 Favored Pre-proline 0 CA--C 1.552 1.033 0 O-C-N 121.151 -0.968 . . . . 0.0 112.576 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -52.48 -19.57 10.23 Favored 'Trans proline' 0 CA--C 1.544 1.0 1 C-N-CA 125.553 4.168 . . . . 0.0 119.901 -167.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.66 1.63 0.28 Allowed Glycine 0 N--CA 1.478 1.442 0 N-CA-C 116.317 1.287 . . . . 0.0 116.317 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -63.51 -28.52 70.01 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.611 1.206 . . . . 0.0 114.213 -177.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -61.4 -42.74 99.21 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.85 1.26 . . . . 0.0 112.596 -170.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.5 m -64.47 -6.09 6.65 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -129.98 7.07 5.08 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.959 1.704 . . . . 0.0 113.795 176.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -147.18 -88.18 0.09 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.655 1.182 . . . . 0.0 110.871 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.1 m -69.41 -18.49 63.76 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -166.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.89 13.74 2.68 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.959 1.704 . . . . 0.0 113.158 -174.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--O 1.254 1.338 0 C-N-CA 126.791 2.037 . . . . 0.0 112.832 178.137 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.6 m -51.63 134.08 30.18 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.244 1.418 . . . . 0.0 114.102 -171.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.0 t -54.51 151.53 7.75 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.996 1.718 . . . . 0.0 114.104 178.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -61.7 -23.68 66.27 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 166.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -131.57 -47.06 0.97 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.094 1.358 . . . . 0.0 113.272 -168.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.3 m -77.59 -10.1 59.31 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -167.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.98 33.15 72.69 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.64 1.114 . . . . 0.0 114.179 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -126.25 112.64 23.7 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 125.761 1.624 . . . . 0.0 110.579 -166.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -51.99 -32.88 50.05 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 124.867 3.711 . . . . 0.0 116.632 -176.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.64 32.59 1.2 Allowed Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.747 1.642 . . . . 0.0 115.472 -176.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -100.25 158.22 16.03 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.698 1.237 . . . . 0.0 113.366 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -152.1 169.71 21.73 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 129.686 3.194 . . . . 0.0 107.58 -177.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 m -57.71 -11.84 2.48 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 172.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.2 p -102.8 -10.97 18.66 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.64 1.976 . . . . 0.0 113.966 175.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -90.57 -43.91 9.9 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.936 1.294 . . . . 0.0 110.856 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 55.7 m -140.73 168.72 19.13 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.221 2.609 . . . . 0.0 108.297 162.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -27.8 52.42 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -177.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.33 153.06 19.19 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 124.563 1.145 . . . . 0.0 112.784 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.0 173.18 14.92 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 123.752 2.968 . . . . 0.0 111.674 163.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -57.02 -15.06 4.31 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 -176.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.2 t -52.38 -32.46 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 125.652 1.581 . . . . 0.0 112.451 168.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.1 t -146.64 -159.99 1.1 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.248 1.819 . . . . 0.0 110.79 -173.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -137.24 -7.13 1.78 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.215 2.206 . . . . 0.0 113.074 168.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -162.98 -61.45 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.087 1.355 . . . . 0.0 113.267 -178.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.75 -33.91 66.67 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.391 1.876 . . . . 0.0 114.981 -167.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.8 pttm 44.05 22.84 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 128.499 2.72 . . . . 0.0 118.209 169.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -67.82 151.99 96.72 Favored Pre-proline 0 CA--C 1.552 1.022 0 O-C-N 121.091 -1.005 . . . . 0.0 112.153 177.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -51.45 -23.91 15.33 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 125.246 3.964 . . . . 0.0 119.492 -166.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.49 5.94 0.55 Allowed Glycine 0 N--CA 1.476 1.347 0 N-CA-C 115.942 1.137 . . . . 0.0 115.942 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -64.05 -30.64 71.7 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.602 1.201 . . . . 0.0 113.827 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -61.02 -41.99 97.6 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.685 1.194 . . . . 0.0 112.619 -167.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.5 m -60.72 -5.96 1.51 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 175.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.12 6.61 5.95 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.815 2.046 . . . . 0.0 113.134 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -151.21 -55.46 0.15 Allowed 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 60.3 m -100.82 -4.47 27.89 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.246 1.418 . . . . 0.0 113.769 -168.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -152.09 18.96 0.67 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.017 2.127 . . . . 0.0 113.139 -175.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.3 m . . . . . 0 C--O 1.254 1.313 0 C-N-CA 126.868 2.067 . . . . 0.0 114.116 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 m -52.37 135.31 33.32 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.014 1.325 . . . . 0.0 113.96 -170.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.9 t -56.24 147.09 21.66 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.177 1.391 . . . . 0.0 113.814 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -13.88 56.2 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 166.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -134.79 -50.24 0.77 Allowed 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.975 1.31 . . . . 0.0 113.015 -171.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.0 m -80.98 -20.0 42.83 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -167.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.35 5.78 55.81 Favored Glycine 0 CA--C 1.542 1.743 0 C-N-CA 125.062 1.315 . . . . 0.0 116.025 -177.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.13 121.67 77.22 Favored Pre-proline 0 N--CA 1.481 1.083 0 CA-C-N 119.2 1.5 . . . . 0.0 110.77 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -54.25 -32.71 72.31 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 124.481 3.454 . . . . 0.0 115.946 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.01 20.32 3.07 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.571 1.558 . . . . 0.0 115.573 -176.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -79.74 161.94 25.45 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 122.536 1.16 . . . . 0.0 113.42 173.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -150.34 171.25 17.28 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 128.266 2.626 . . . . 0.0 109.054 -174.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.1 t -55.07 -15.4 2.1 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.029 1.731 . . . . 0.0 115.159 174.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.0 p -117.47 -8.04 11.05 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.601 1.961 . . . . 0.0 114.334 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -77.56 -40.12 43.52 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.016 0.826 . . . . 0.0 111.149 176.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.1 m -140.04 178.56 7.18 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.988 2.515 . . . . 0.0 109.39 164.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.96 -38.83 62.47 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.268 1.027 . . . . 0.0 113.26 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.53 160.18 29.54 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 124.998 1.319 . . . . 0.0 112.529 173.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -71.56 170.63 18.08 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 122.933 2.422 . . . . 0.0 111.119 159.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -58.57 -6.08 0.66 Allowed 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 116.668 2.099 . . . . 0.0 116.668 -177.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.4 t -56.91 -35.07 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.306 1.443 . . . . 0.0 112.129 164.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.0 t -147.88 -154.46 0.55 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.787 1.635 . . . . 0.0 110.862 -172.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -139.84 -19.72 0.91 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.904 2.082 . . . . 0.0 112.831 169.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -158.0 -55.34 0.07 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.555 1.142 . . . . 0.0 113.711 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -33.12 68.68 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.25 1.42 . . . . 0.0 114.739 -170.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.3 pttt 42.89 26.25 0.07 Allowed 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 128.588 2.755 . . . . 0.0 118.375 167.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -70.16 152.62 95.69 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 124.105 0.962 . . . . 0.0 112.324 176.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.01 -19.44 11.54 Favored 'Trans proline' 0 C--N 1.356 0.949 1 C-N-CA 125.332 4.021 . . . . 0.0 119.786 -168.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.86 0.78 0.24 Allowed Glycine 0 N--CA 1.478 1.453 0 N-CA-C 116.352 1.301 . . . . 0.0 116.352 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -63.29 -28.51 70.07 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.631 1.216 . . . . 0.0 114.276 -177.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -62.55 -40.85 98.14 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.88 1.272 . . . . 0.0 112.894 -167.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.9 m -63.47 -4.45 2.78 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.04 1.336 . . . . 0.0 114.602 175.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -129.71 3.83 4.99 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.546 1.938 . . . . 0.0 112.955 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -152.08 -63.11 0.17 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.178 0.991 . . . . 0.0 112.883 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 62.9 m -91.91 -17.89 24.55 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -164.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -144.16 14.29 1.65 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.066 1.746 . . . . 0.0 113.197 -170.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.254 1.31 0 C-N-CA 127.684 2.394 . . . . 0.0 114.464 -178.854 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.5 m -51.01 136.99 22.19 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.895 1.278 . . . . 0.0 113.519 -174.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.64 150.69 22.57 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.346 1.458 . . . . 0.0 114.013 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -66.25 -15.66 63.38 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 165.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -135.0 -48.39 0.73 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.957 1.303 . . . . 0.0 113.015 -168.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 54.9 m -82.05 -9.84 59.42 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -168.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.59 33.67 73.07 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.74 1.162 . . . . 0.0 114.567 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 tpmt? -126.2 115.43 23.7 Favored Pre-proline 0 N--CA 1.475 0.798 0 C-N-CA 125.237 1.415 . . . . 0.0 111.125 -169.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -51.81 -32.77 47.74 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 125.042 3.828 . . . . 0.0 117.125 -176.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.1 24.5 1.66 Allowed Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.44 1.495 . . . . 0.0 115.562 -176.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -89.32 161.32 16.42 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.581 1.181 . . . . 0.0 113.622 177.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -151.12 169.6 21.46 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 128.746 2.818 . . . . 0.0 108.728 -174.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.1 p -58.33 -11.82 3.15 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 169.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.8 p -108.28 -10.56 15.35 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.52 1.928 . . . . 0.0 113.865 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -86.79 -38.68 16.64 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.406 1.082 . . . . 0.0 111.36 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.2 m -142.47 176.08 9.29 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.334 2.253 . . . . 0.0 110.721 167.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -35.27 59.2 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.75 1.22 . . . . 0.0 113.425 177.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.23 160.2 26.49 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 124.711 1.204 . . . . 0.0 112.547 171.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -71.75 172.75 13.83 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 122.85 2.367 . . . . 0.0 111.322 158.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -55.32 -13.8 1.54 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 127.462 2.305 . . . . 0.0 115.537 -178.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.03 -34.64 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 126.005 1.722 . . . . 0.0 112.603 166.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.4 t -149.27 -152.71 0.45 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.517 1.527 . . . . 0.0 111.051 -170.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -140.2 -22.14 0.84 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.793 2.037 . . . . 0.0 112.903 170.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -156.74 -53.97 0.08 Allowed 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.58 -31.36 62.04 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -171.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.9 pttm 43.31 25.76 0.08 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 118.434 2.753 . . . . 0.0 118.434 165.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -68.08 152.3 96.56 Favored Pre-proline 0 CA--C 1.554 1.108 0 O-C-N 121.104 -0.998 . . . . 0.0 112.407 177.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -52.57 -19.42 10.19 Favored 'Trans proline' 0 CA--C 1.543 0.973 1 C-N-CA 125.467 4.112 . . . . 0.0 119.963 -167.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.03 1.33 0.25 Allowed Glycine 0 N--CA 1.478 1.435 0 N-CA-C 116.327 1.291 . . . . 0.0 116.327 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -63.61 -28.55 70.0 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 118.63 1.215 . . . . 0.0 114.148 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -63.4 -40.3 96.83 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.37 1.068 . . . . 0.0 113.066 -164.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.7 m -62.83 -7.35 4.89 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -134.08 15.41 3.86 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.179 1.792 . . . . 0.0 113.676 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -148.86 -46.35 0.15 Allowed 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 176.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 85.2 m -114.97 -24.17 8.73 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -165.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -126.01 12.07 7.74 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 127.695 2.398 . . . . 0.0 112.137 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.253 1.281 0 C-N-CA 127.61 2.364 . . . . 0.0 114.474 -177.629 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.5 m -50.49 135.01 23.22 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.903 1.281 . . . . 0.0 113.568 -173.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.7 t -57.05 150.48 17.03 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.594 1.558 . . . . 0.0 114.416 -178.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -67.14 -14.55 63.01 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 166.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -135.13 -48.37 0.73 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.949 1.299 . . . . 0.0 113.044 -170.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 44.3 m -83.3 -11.77 57.37 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.63 1.172 . . . . 0.0 114.089 -167.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.56 23.89 63.36 Favored Glycine 0 CA--C 1.539 1.593 0 C-N-CA 124.87 1.224 . . . . 0.0 115.442 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -115.65 122.88 32.09 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 125.33 1.452 . . . . 0.0 110.979 -172.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -52.49 -34.17 60.77 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 124.932 3.755 . . . . 0.0 116.549 -176.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.37 35.69 1.34 Allowed Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.937 1.732 . . . . 0.0 115.388 -174.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -103.61 155.77 18.3 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.722 1.209 . . . . 0.0 113.104 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.9 mt -155.14 172.46 18.11 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 129.094 2.958 . . . . 0.0 108.406 -174.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m -54.85 -18.54 4.98 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.649 1.58 . . . . 0.0 114.882 170.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.6 p -98.5 -6.49 30.18 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.481 1.912 . . . . 0.0 114.039 176.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -101.64 -42.23 6.29 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.969 1.308 . . . . 0.0 111.373 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.8 m -142.85 174.47 10.63 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 127.241 2.216 . . . . 0.0 110.706 168.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -36.07 63.34 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.541 1.136 . . . . 0.0 113.423 178.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.75 160.14 27.54 Favored Pre-proline 0 CA--C 1.549 0.922 0 C-N-CA 124.74 1.216 . . . . 0.0 112.885 174.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.99 173.72 13.14 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 123.073 2.515 . . . . 0.0 111.412 159.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -53.98 -13.94 0.91 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 127.599 2.36 . . . . 0.0 115.704 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.1 t -54.82 -36.61 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 126.097 1.759 . . . . 0.0 112.785 167.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.1 t -149.44 -156.1 0.69 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.368 1.467 . . . . 0.0 111.173 -168.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -136.82 -17.88 1.41 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.814 2.045 . . . . 0.0 113.011 169.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -157.22 -58.25 0.08 Allowed 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.58 -29.83 59.45 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -169.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 pttm 43.12 26.9 0.1 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 128.405 2.682 . . . . 0.0 118.22 166.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -69.03 153.06 96.48 Favored Pre-proline 0 CA--C 1.552 1.056 0 O-C-N 121.233 -0.917 . . . . 0.0 112.463 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -53.16 -17.8 8.95 Favored 'Trans proline' 0 CA--C 1.544 1.001 1 C-N-CA 125.387 4.058 . . . . 0.0 120.047 -168.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.21 -1.63 0.18 Allowed Glycine 0 N--CA 1.478 1.487 0 N-CA-C 116.621 1.408 . . . . 0.0 116.621 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -61.95 -28.67 69.71 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -62.83 -40.57 97.82 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.952 1.301 . . . . 0.0 112.84 -168.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.7 m -62.87 -8.06 6.3 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -130.26 8.84 5.14 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.103 1.761 . . . . 0.0 113.894 177.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -147.35 -81.25 0.14 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.094 0.958 . . . . 0.0 111.158 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 62.7 m -76.53 -17.68 59.12 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -166.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.29 13.45 2.81 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.294 1.838 . . . . 0.0 112.986 -175.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.961 2.104 . . . . 0.0 112.915 177.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.2 m -50.5 136.16 21.36 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.822 1.249 . . . . 0.0 113.498 -174.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.7 t -56.81 151.62 14.0 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.523 1.529 . . . . 0.0 114.215 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -66.68 -15.22 63.35 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 165.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -136.01 -47.16 0.65 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.891 1.276 . . . . 0.0 113.215 -169.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.0 m -82.92 -8.67 59.55 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -166.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.98 33.96 76.55 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.43 1.014 . . . . 0.0 114.452 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -128.17 111.69 19.88 Favored Pre-proline 0 N--CA 1.474 0.745 0 C-N-CA 125.872 1.669 . . . . 0.0 110.705 -166.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -51.06 -32.72 40.16 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 125.25 3.967 . . . . 0.0 116.877 -177.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.9 34.66 1.24 Allowed Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.769 1.652 . . . . 0.0 115.328 -177.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -103.43 158.69 16.17 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.843 1.257 . . . . 0.0 113.279 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.3 mt -153.66 171.27 19.08 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 129.236 3.014 . . . . 0.0 108.183 -175.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.9 p -58.23 -16.85 15.39 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 168.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.6 p -94.56 -9.05 36.43 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.08 1.752 . . . . 0.0 113.967 173.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -99.04 -42.36 7.14 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.813 1.245 . . . . 0.0 111.343 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.2 m -142.79 172.97 11.97 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.384 2.274 . . . . 0.0 110.459 168.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -34.11 60.94 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.194 1.398 . . . . 0.0 113.772 -178.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.08 159.97 29.02 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.195 1.398 . . . . 0.0 112.127 170.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -72.52 174.65 11.31 Favored 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 123.078 2.519 . . . . 0.0 111.249 159.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -54.81 -12.39 0.78 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 127.547 2.339 . . . . 0.0 115.726 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -55.77 -36.64 43.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.889 1.676 . . . . 0.0 112.713 167.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.2 t -149.36 -153.64 0.51 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.499 1.52 . . . . 0.0 111.014 -169.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -139.59 -19.64 0.94 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.746 2.018 . . . . 0.0 113.002 170.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -156.77 -56.73 0.08 Allowed 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -178.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.6 p -77.31 -29.18 53.55 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -169.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.2 pttm 43.52 26.64 0.12 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 118.17 2.656 . . . . 0.0 118.17 164.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -68.18 153.17 95.85 Favored Pre-proline 0 CA--C 1.553 1.063 0 O-C-N 121.044 -1.035 . . . . 0.0 112.55 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_exo -52.55 -19.56 10.4 Favored 'Trans proline' 0 CA--C 1.544 1.012 1 C-N-CA 125.534 4.156 . . . . 0.0 119.941 -167.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.7 0.42 0.24 Allowed Glycine 0 N--CA 1.478 1.442 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -63.03 -28.0 69.79 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -177.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -62.19 -41.44 98.34 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.623 1.169 . . . . 0.0 112.577 -168.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.5 m -63.52 -4.21 2.69 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -135.46 10.85 3.47 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.014 1.726 . . . . 0.0 114.246 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -150.42 -55.87 0.16 Allowed 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 77.4 m -105.34 -17.71 14.36 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -165.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -139.3 3.91 2.18 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.225 1.81 . . . . 0.0 113.286 -177.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.1 p . . . . . 0 C--O 1.254 1.308 0 C-N-CA 127.215 2.206 . . . . 0.0 113.932 173.802 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.2 m -51.17 136.78 23.51 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.181 1.392 . . . . 0.0 113.948 -171.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.4 t -57.64 151.28 17.52 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.455 1.502 . . . . 0.0 113.798 178.14 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -66.1 -16.1 63.66 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 166.397 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -141.21 -42.45 0.38 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -171.33 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.2 m -74.84 -24.16 58.55 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -175.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.71 6.82 56.98 Favored Glycine 0 CA--C 1.542 1.726 0 C-N-CA 124.869 1.223 . . . . 0.0 115.852 -174.488 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.71 123.28 76.39 Favored Pre-proline 0 N--CA 1.48 1.056 0 CA-C-N 119.183 1.491 . . . . 0.0 110.891 177.275 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -54.37 -32.35 71.95 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 124.688 3.592 . . . . 0.0 116.045 175.644 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.91 28.08 1.92 Allowed Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.491 1.519 . . . . 0.0 115.329 -175.265 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -89.97 159.84 16.69 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 122.544 1.164 . . . . 0.0 113.591 177.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.6 mt -150.39 169.48 21.32 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 128.546 2.738 . . . . 0.0 108.842 -173.436 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.9 p -57.71 -12.58 3.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.838 1.655 . . . . 0.0 115.298 171.323 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.0 p -110.13 -10.53 14.66 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.567 1.947 . . . . 0.0 113.871 175.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -83.77 -39.83 19.55 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.276 1.03 . . . . 0.0 111.306 178.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.5 m -143.75 175.84 9.69 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.984 2.514 . . . . 0.0 110.087 168.599 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -53.99 -32.89 55.49 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.271 1.428 . . . . 0.0 113.986 177.028 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.77 160.29 25.31 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 124.506 1.122 . . . . 0.0 113.007 169.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -71.12 170.0 19.21 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 122.83 2.353 . . . . 0.0 111.172 156.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -55.44 -16.63 3.9 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.741 2.016 . . . . 0.0 115.783 -175.603 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.4 t -53.85 -31.45 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 126.011 1.724 . . . . 0.0 112.559 169.413 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.0 t -147.41 -156.78 0.75 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.267 1.827 . . . . 0.0 110.543 -173.598 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -137.23 -20.77 1.21 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.157 2.183 . . . . 0.0 113.167 170.056 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -156.87 -54.84 0.08 Allowed 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -177.64 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.35 -30.95 62.24 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -171.555 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.7 pttm 43.73 24.11 0.06 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 118.632 2.827 . . . . 0.0 118.632 165.588 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -67.98 151.51 97.14 Favored Pre-proline 0 CA--C 1.553 1.074 0 O-C-N 121.089 -1.007 . . . . 0.0 112.217 178.009 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -51.58 -24.4 17.07 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 125.158 3.905 . . . . 0.0 119.29 -167.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.83 11.36 0.71 Allowed Glycine 0 N--CA 1.476 1.307 0 N-CA-C 115.812 1.085 . . . . 0.0 115.812 -178.059 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -68.44 -30.26 69.09 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.652 1.226 . . . . 0.0 113.701 -179.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -60.69 -41.33 94.91 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.399 1.079 . . . . 0.0 112.823 -164.677 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.8 m -60.48 -5.09 1.05 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 175.704 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -127.33 6.29 6.37 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.633 1.973 . . . . 0.0 113.425 178.19 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -152.65 -48.6 0.1 Allowed 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 69.2 m -110.64 -4.99 15.14 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.131 1.372 . . . . 0.0 113.544 -167.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 tpp85 -149.31 3.38 0.58 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 127.265 2.226 . . . . 0.0 113.618 179.512 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.252 1.206 0 C-N-CA 126.879 2.072 . . . . 0.0 113.865 173.657 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.0 m -49.73 136.99 16.68 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.133 1.373 . . . . 0.0 114.096 -173.071 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.3 t -56.06 153.19 9.32 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.821 1.648 . . . . 0.0 114.144 178.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -66.49 -15.16 63.15 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 165.204 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -138.18 -48.67 0.54 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.928 1.291 . . . . 0.0 113.5 -169.496 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.8 m -80.75 -9.93 59.77 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 -165.404 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.58 28.57 69.96 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.388 0.994 . . . . 0.0 114.967 -179.559 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -118.17 113.61 37.24 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 125.891 1.676 . . . . 0.0 111.218 -172.613 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -51.1 -32.57 39.97 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 125.118 3.878 . . . . 0.0 116.292 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.79 26.5 1.4 Allowed Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.629 1.585 . . . . 0.0 115.43 -177.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -90.9 156.95 17.62 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 122.604 1.193 . . . . 0.0 113.645 177.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.9 mt -154.61 171.95 18.65 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 129.253 3.021 . . . . 0.0 108.267 -175.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.1 m -55.71 -18.01 7.19 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.204 1.402 . . . . 0.0 114.761 169.101 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.1 p -97.92 -4.62 36.06 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.506 1.923 . . . . 0.0 114.026 175.787 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -104.52 -40.57 6.0 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.02 1.328 . . . . 0.0 111.377 -178.365 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.0 m -142.68 172.91 12.05 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.503 1.921 . . . . 0.0 111.069 164.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.401 ' NE ' ' H ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -48.39 -37.38 16.76 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.908 2.083 . . . . 0.0 113.619 175.148 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.77 159.93 27.52 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.749 1.219 . . . . 0.0 112.72 169.354 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -71.99 174.52 11.15 Favored 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 123.158 2.572 . . . . 0.0 111.394 158.611 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -55.07 -13.56 1.22 Allowed 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 127.135 2.174 . . . . 0.0 115.672 -178.12 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.9 t -54.58 -34.5 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.77 1.628 . . . . 0.0 112.676 167.388 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.3 t -150.44 -152.14 0.42 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.257 1.423 . . . . 0.0 111.144 -169.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -138.77 -22.18 0.97 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.015 2.126 . . . . 0.0 112.792 169.41 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -157.08 -54.83 0.08 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -73.91 -32.21 63.44 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -170.175 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.9 pttm 42.56 26.14 0.06 Allowed 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 118.531 2.789 . . . . 0.0 118.531 166.408 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -67.22 152.39 96.16 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 124.108 0.963 . . . . 0.0 112.395 177.671 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -51.84 -19.84 8.8 Favored 'Trans proline' 0 CA--C 1.542 0.891 1 C-N-CA 125.554 4.169 . . . . 0.0 120.001 -167.175 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.6 1.53 0.28 Allowed Glycine 0 N--CA 1.477 1.398 0 N-CA-C 116.302 1.281 . . . . 0.0 116.302 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -63.64 -29.85 71.04 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.644 1.222 . . . . 0.0 113.889 -177.378 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -62.19 -40.71 96.97 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.902 1.281 . . . . 0.0 112.805 -164.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.4 m -61.83 -7.0 3.1 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.269 1.428 . . . . 0.0 114.597 176.466 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -127.16 4.54 6.41 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.816 2.046 . . . . 0.0 113.164 -177.2 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -150.38 -45.11 0.13 Allowed 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -176.214 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 84.2 m -115.08 -27.88 7.17 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.064 0.946 . . . . 0.0 113.473 -164.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -122.13 -1.08 9.31 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.93 2.492 . . . . 0.0 112.368 177.686 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.8 p . . . . . 0 C--O 1.252 1.234 0 C-N-CA 127.119 2.168 . . . . 0.0 114.092 175.507 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 97.9 m -120.48 142.22 49.48 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.872 1.669 . . . . 0.0 110.006 -178.574 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.9 t -63.68 150.15 44.98 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -172.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -71.82 -16.24 62.16 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 165.509 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -138.16 -47.91 0.53 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.333 1.053 . . . . 0.0 113.433 -166.14 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.1 m -73.96 -16.65 61.08 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.56 1.144 . . . . 0.0 113.669 -171.352 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.23 45.91 95.22 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.054 0.835 . . . . 0.0 112.77 -174.598 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.52 144.12 35.42 Favored Pre-proline 0 N--CA 1.476 0.855 0 C-N-CA 125.645 1.578 . . . . 0.0 111.732 -171.86 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -70.67 -170.11 0.43 Allowed 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 123.902 3.068 . . . . 0.0 111.135 164.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.7 28.19 72.97 Favored Glycine 0 CA--C 1.535 1.307 0 O-C-N 121.064 -1.023 . . . . 0.0 113.486 179.542 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -113.69 146.05 40.42 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.064 1.345 . . . . 0.0 112.119 -173.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.9 mt -156.06 173.22 17.13 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 128.578 2.751 . . . . 0.0 108.712 -172.698 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.2 m -54.83 -20.41 8.59 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.277 1.431 . . . . 0.0 114.523 168.355 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.6 p -92.4 -6.18 50.56 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.345 1.858 . . . . 0.0 114.204 175.614 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -105.99 -42.5 5.1 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.241 1.416 . . . . 0.0 111.321 179.763 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.4 m -143.39 170.15 16.32 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.222 2.209 . . . . 0.0 110.748 176.44 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -56.68 -31.52 64.52 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.791 1.236 . . . . 0.0 113.876 179.195 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.14 160.55 28.75 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 124.795 1.238 . . . . 0.0 112.19 168.294 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -72.37 171.72 16.43 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 122.662 2.242 . . . . 0.0 111.275 158.7 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -51.91 -19.67 1.9 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 127.084 2.154 . . . . 0.0 116.032 -176.093 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.9 t -53.06 -33.1 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 126.275 1.83 . . . . 0.0 112.874 170.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 t -149.12 -157.53 0.83 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.08 1.752 . . . . 0.0 110.844 -171.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -136.88 -16.88 1.45 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.325 2.25 . . . . 0.0 113.074 169.458 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -156.45 -62.03 0.1 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.652 1.181 . . . . 0.0 113.402 -174.174 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.24 -32.51 61.15 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.257 1.423 . . . . 0.0 114.548 -168.322 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.3 pttm 42.97 25.61 0.06 Allowed 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 118.371 2.73 . . . . 0.0 118.371 166.584 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -68.48 152.9 96.34 Favored Pre-proline 0 CA--C 1.552 1.034 0 O-C-N 121.209 -0.932 . . . . 0.0 112.151 177.09 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -52.15 -21.49 12.98 Favored 'Trans proline' 0 CA--C 1.543 0.941 1 C-N-CA 125.331 4.02 . . . . 0.0 119.455 -168.124 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.21 3.03 0.45 Allowed Glycine 0 N--CA 1.476 1.33 0 N-CA-C 116.264 1.266 . . . . 0.0 116.264 -179.399 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -63.04 -29.38 70.77 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.691 1.245 . . . . 0.0 113.936 -177.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -61.77 -40.3 94.68 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 124.183 0.993 . . . . 0.0 112.16 -169.434 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.7 m -59.38 -7.71 1.45 Allowed 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 115.243 1.572 . . . . 0.0 115.243 176.657 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -134.78 13.84 3.67 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.022 1.729 . . . . 0.0 114.054 177.293 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -149.86 -53.26 0.16 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 176.08 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.4 m -106.17 -3.81 20.98 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.909 1.284 . . . . 0.0 113.59 -168.653 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 tpp85 -152.65 19.9 0.61 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.146 2.179 . . . . 0.0 113.062 -176.567 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 C--O 1.253 1.242 0 C-N-CA 127.082 2.153 . . . . 0.0 114.112 -179.53 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.6 m -51.24 136.25 24.85 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.106 1.363 . . . . 0.0 113.923 -172.746 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.2 t -58.13 151.66 18.49 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.94 1.696 . . . . 0.0 114.396 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -67.6 -14.97 63.4 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 165.744 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -135.43 -47.17 0.69 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.84 1.256 . . . . 0.0 113.094 -169.652 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 55.7 m -83.7 -10.06 58.42 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -167.469 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.48 30.68 68.76 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.71 1.148 . . . . 0.0 114.823 -179.582 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -124.45 116.69 26.73 Favored Pre-proline 0 N--CA 1.476 0.832 0 C-N-CA 125.693 1.597 . . . . 0.0 110.758 -168.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -51.71 -31.9 43.16 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 125.093 3.862 . . . . 0.0 116.966 -177.135 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.1 34.69 1.28 Allowed Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.792 1.663 . . . . 0.0 115.464 -176.124 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -104.17 157.18 17.3 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.784 1.234 . . . . 0.0 113.345 -179.642 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.6 mt -154.14 170.57 20.88 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 128.91 2.884 . . . . 0.0 108.52 -173.732 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.5 m -56.68 -11.81 1.54 Allowed 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 171.737 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.6 m -113.43 0.4 14.73 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.881 1.673 . . . . 0.0 113.306 176.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -96.91 -41.06 8.6 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.875 1.27 . . . . 0.0 110.69 174.23 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.8 m -143.56 173.88 11.26 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.758 2.423 . . . . 0.0 110.406 169.241 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -55.57 -32.58 63.15 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.26 1.424 . . . . 0.0 114.13 177.903 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.2 159.7 26.6 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 124.425 1.09 . . . . 0.0 112.966 171.667 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -71.38 170.72 17.71 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 122.847 2.365 . . . . 0.0 111.282 158.127 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -52.68 -20.41 3.08 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 127.013 2.125 . . . . 0.0 115.655 -176.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.5 t -52.0 -32.63 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 126.151 1.78 . . . . 0.0 112.879 171.014 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 t -148.89 -156.23 0.7 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.134 1.774 . . . . 0.0 110.844 -172.875 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -137.87 -17.94 1.22 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.338 2.255 . . . . 0.0 113.175 169.618 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -155.53 -59.98 0.11 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -176.101 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 p -77.28 -30.41 54.26 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -169.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.5 pttm 43.26 26.14 0.08 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 118.458 2.762 . . . . 0.0 118.458 165.019 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -67.69 151.8 96.85 Favored Pre-proline 0 CA--C 1.552 1.041 0 O-C-N 121.09 -1.006 . . . . 0.0 112.349 177.819 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -51.96 -23.3 16.31 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 125.202 3.935 . . . . 0.0 119.335 -167.803 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.06 9.29 0.71 Allowed Glycine 0 N--CA 1.478 1.487 0 CA-C-N 119.631 1.105 . . . . 0.0 115.844 -178.251 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -67.99 -29.98 69.13 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.499 1.149 . . . . 0.0 113.703 -179.51 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -62.42 -42.51 99.49 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.055 0.942 . . . . 0.0 112.601 -163.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.6 m -59.08 -6.39 0.85 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 175.135 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -128.82 4.48 5.43 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 127.067 2.147 . . . . 0.0 113.134 -176.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -151.92 -52.3 0.12 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 75.1 m -106.6 -3.13 21.05 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.266 1.427 . . . . 0.0 113.515 -168.173 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -152.29 19.2 0.65 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.094 2.158 . . . . 0.0 113.108 -177.095 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.4 m . . . . . 0 C--O 1.255 1.367 0 C-N-CA 127.039 2.136 . . . . 0.0 114.24 -179.75 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.3 m -125.01 142.13 51.69 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.907 1.683 . . . . 0.0 109.855 -173.89 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.2 t -64.7 148.16 51.62 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -172.48 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -68.83 -17.8 64.06 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 165.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -141.11 -42.99 0.38 Allowed 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -167.193 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.1 m -71.22 -17.29 62.52 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -174.618 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.33 36.3 93.22 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 123.819 0.723 . . . . 0.0 113.074 -173.02 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -130.03 142.58 45.9 Favored Pre-proline 0 N--CA 1.475 0.787 0 C-N-CA 125.99 1.716 . . . . 0.0 112.036 -168.432 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.62 -170.28 0.58 Allowed 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.938 3.092 . . . . 0.0 110.739 163.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.33 29.67 75.24 Favored Glycine 0 CA--C 1.533 1.216 0 O-C-N 121.16 -0.962 . . . . 0.0 113.258 179.349 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -116.67 146.45 42.74 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.193 1.397 . . . . 0.0 112.393 -170.784 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.7 mt -155.95 174.38 15.42 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 128.655 2.782 . . . . 0.0 108.787 -173.037 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 56.4 p -56.53 -18.15 10.72 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 165.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.3 p -92.71 -1.46 56.82 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.235 1.814 . . . . 0.0 114.06 174.111 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -114.29 -38.74 4.03 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.282 1.433 . . . . 0.0 111.623 -179.278 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 m -143.1 172.36 12.82 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.002 2.121 . . . . 0.0 110.896 172.305 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.6 -32.72 52.27 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.134 1.374 . . . . 0.0 113.773 177.449 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.19 159.72 28.85 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 125.16 1.384 . . . . 0.0 111.746 167.167 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -71.27 168.94 21.96 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 122.55 2.167 . . . . 0.0 110.85 157.301 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -53.56 -18.5 2.91 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 127.031 2.132 . . . . 0.0 115.915 -174.659 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.4 t -51.64 -32.65 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 126.114 1.766 . . . . 0.0 112.656 169.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.8 t -148.53 -159.28 1.01 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.327 1.851 . . . . 0.0 110.611 -175.403 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -138.91 -14.15 1.2 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.406 2.282 . . . . 0.0 112.847 170.491 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -155.85 -63.25 0.11 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.902 1.281 . . . . 0.0 112.915 -171.589 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.17 -36.11 66.54 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.951 1.7 . . . . 0.0 114.038 -168.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.1 pttm 43.58 23.49 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 128.636 2.774 . . . . 0.0 118.313 169.194 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -68.91 151.76 97.11 Favored Pre-proline 0 CA--C 1.55 0.969 0 O-C-N 121.171 -0.956 . . . . 0.0 112.072 176.553 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_exo -52.17 -21.99 14.19 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 125.216 3.944 . . . . 0.0 119.32 -168.404 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.0 2.18 0.51 Allowed Glycine 0 CA--C 1.536 1.392 0 N-CA-C 116.29 1.276 . . . . 0.0 116.29 -178.579 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -62.34 -30.57 71.26 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.693 1.246 . . . . 0.0 114.005 -177.166 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -60.25 -40.49 90.48 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.69 1.196 . . . . 0.0 112.565 -169.202 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.9 m -58.89 -10.53 2.51 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 176.059 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -127.25 6.07 6.4 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.695 1.998 . . . . 0.0 113.16 -178.198 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -150.66 -59.2 0.18 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 179.047 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 61.7 m -96.64 -4.84 40.3 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.917 1.287 . . . . 0.0 113.96 -168.435 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -152.51 19.14 0.63 Allowed 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.721 2.009 . . . . 0.0 113.278 -175.433 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m . . . . . 0 C--O 1.252 1.201 0 C-N-CA 126.928 2.091 . . . . 0.0 114.244 -179.788 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 . . . . . 0 N--CA 1.485 1.295 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 m -49.46 138.64 13.16 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.459 1.504 . . . . 0.0 114.062 -173.391 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.38 153.16 16.18 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.817 1.647 . . . . 0.0 113.957 178.741 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -66.98 -15.68 63.87 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 164.865 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -135.94 -48.1 0.67 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.911 1.284 . . . . 0.0 113.304 -168.771 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.8 m -81.98 -9.49 59.55 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -166.735 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.22 32.54 72.05 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 124.534 1.064 . . . . 0.0 114.56 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -125.86 113.39 24.6 Favored Pre-proline 0 N--CA 1.475 0.822 0 C-N-CA 125.62 1.568 . . . . 0.0 110.827 -168.136 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -51.53 -32.03 41.99 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 125.064 3.843 . . . . 0.0 116.999 -176.031 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.07 26.55 1.19 Allowed Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.616 1.579 . . . . 0.0 115.628 -176.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -92.86 162.57 14.04 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 122.584 1.183 . . . . 0.0 113.434 177.745 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.6 mt -152.01 171.92 17.08 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 128.19 2.596 . . . . 0.0 109.091 -172.259 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.7 t -55.13 -13.97 1.44 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.938 1.695 . . . . 0.0 114.932 170.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.3 p -120.58 -11.08 9.12 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.518 1.927 . . . . 0.0 114.587 -179.668 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -74.85 -38.35 61.99 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.26 0.936 . . . . 0.0 111.15 175.234 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.5 m -139.17 179.27 6.61 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.126 2.571 . . . . 0.0 109.364 165.913 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.17 -38.95 63.23 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.31 1.044 . . . . 0.0 112.893 178.208 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.61 159.23 30.77 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 125.108 1.363 . . . . 0.0 112.314 174.285 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -72.68 175.67 9.92 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 123.146 2.564 . . . . 0.0 111.496 161.248 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -53.48 -13.94 0.71 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 127.618 2.367 . . . . 0.0 115.777 -178.204 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -56.5 -36.75 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 126.253 1.821 . . . . 0.0 112.87 168.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.6 t -148.76 -153.73 0.51 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.257 1.423 . . . . 0.0 111.141 -169.667 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -141.08 -20.55 0.79 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.901 2.081 . . . . 0.0 112.921 169.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -158.42 -54.53 0.07 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.657 1.183 . . . . 0.0 113.596 -177.249 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -36.5 76.52 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.377 1.471 . . . . 0.0 114.502 -170.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.9 pttt 42.23 27.25 0.07 Allowed 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 128.674 2.79 . . . . 0.0 117.871 170.189 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -69.61 151.28 96.63 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 124.101 0.96 . . . . 0.0 112.187 176.378 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -51.9 -22.48 14.15 Favored 'Trans proline' 0 CA--C 1.542 0.888 1 C-N-CA 125.396 4.064 . . . . 0.0 119.536 -167.343 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.1 16.91 0.45 Allowed Glycine 0 N--CA 1.476 1.303 0 CA-C-N 119.574 1.079 . . . . 0.0 115.74 -177.779 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -76.05 -29.76 58.15 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 118.513 1.157 . . . . 0.0 113.879 -178.761 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -61.25 -41.52 97.04 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.361 1.465 . . . . 0.0 113.698 -163.037 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.8 m -63.82 -4.45 3.21 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 178.232 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -127.84 5.26 6.03 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.83 2.052 . . . . 0.0 112.855 -177.502 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -149.81 -64.56 0.21 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.856 0.862 . . . . 0.0 112.686 177.282 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.3 m -90.01 -19.31 24.57 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -166.085 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.26 15.18 2.04 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.994 1.718 . . . . 0.0 113.235 -169.879 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 C--O 1.254 1.325 0 C-N-CA 127.589 2.356 . . . . 0.0 114.346 -179.928 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 . . . . . 0 N--CA 1.486 1.326 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.7 m -50.2 136.44 19.58 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.002 1.321 . . . . 0.0 113.575 -173.317 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.1 t -55.07 150.23 10.85 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.442 1.497 . . . . 0.0 113.873 -179.777 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -19.06 63.35 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 166.513 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -133.99 -48.2 0.8 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.251 1.42 . . . . 0.0 113.455 -170.319 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.2 m -79.62 -10.33 59.78 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -166.111 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.92 30.47 73.26 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 124.394 0.997 . . . . 0.0 114.78 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -122.78 115.49 29.42 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 125.869 1.668 . . . . 0.0 110.61 -170.003 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -52.13 -32.65 50.48 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 124.975 3.783 . . . . 0.0 116.98 -175.682 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.47 29.38 1.22 Allowed Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.723 1.63 . . . . 0.0 115.554 -176.171 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -98.96 165.35 11.79 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.826 1.25 . . . . 0.0 113.08 178.253 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.7 mt -152.23 170.9 18.88 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 128.515 2.726 . . . . 0.0 108.549 -176.363 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 64.8 m -57.53 -3.7 0.2 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.296 1.838 . . . . 0.0 115.735 170.309 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.1 p -126.48 -11.25 6.26 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.854 2.062 . . . . 0.0 114.132 177.666 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -74.84 -39.03 61.84 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.166 0.894 . . . . 0.0 110.874 173.796 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.2 m -137.07 -177.14 4.63 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 128.103 2.561 . . . . 0.0 109.437 167.298 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -37.39 61.9 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.632 1.173 . . . . 0.0 112.637 179.451 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.37 162.13 24.18 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 125.842 1.657 . . . . 0.0 111.779 171.299 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -71.65 168.78 22.72 Favored 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 122.791 2.327 . . . . 0.0 110.853 156.305 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -56.4 -15.79 4.68 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.249 1.82 . . . . 0.0 115.748 -174.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.3 t -50.64 -33.47 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 126.136 1.775 . . . . 0.0 112.483 167.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.5 t -148.88 -159.59 1.06 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.193 1.797 . . . . 0.0 110.876 -174.478 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -138.97 -16.12 1.11 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.399 2.28 . . . . 0.0 113.052 170.066 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -156.79 -60.4 0.09 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.344 1.057 . . . . 0.0 113.808 -175.365 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.13 -32.68 69.27 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.295 1.438 . . . . 0.0 114.528 -171.345 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.9 pttt 42.35 24.8 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 129.255 3.022 . . . . 0.0 118.84 165.148 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -69.39 152.89 96.29 Favored Pre-proline 0 CA--C 1.551 1.018 0 O-C-N 121.206 -0.934 . . . . 0.0 112.087 175.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -52.31 -22.35 15.56 Favored 'Trans proline' 0 CA--C 1.542 0.9 0 C-N-CA 125.199 3.933 . . . . 0.0 119.305 -169.608 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -149.59 1.97 0.54 Allowed Glycine 0 CA--C 1.538 1.473 0 N-CA-C 116.245 1.258 . . . . 0.0 116.245 -177.749 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -62.34 -29.62 70.58 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.743 1.271 . . . . 0.0 114.154 -177.276 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -60.05 -40.77 90.58 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.618 1.167 . . . . 0.0 112.553 -169.639 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.8 m -59.51 -9.69 2.74 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 175.415 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -125.99 4.2 7.26 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.755 2.022 . . . . 0.0 113.043 -178.003 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -150.83 -64.16 0.19 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.801 0.84 . . . . 0.0 113.059 178.553 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.4 m -89.04 -6.19 57.34 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -168.649 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -152.32 18.64 0.65 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.329 1.852 . . . . 0.0 113.417 -174.187 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.7 m . . . . . 0 C--O 1.253 1.244 0 C-N-CA 126.802 2.041 . . . . 0.0 114.2 -179.815 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.4 m -48.89 133.2 18.07 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.219 1.407 . . . . 0.0 114.15 -173.157 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.9 t -54.36 150.18 9.13 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.08 1.752 . . . . 0.0 114.355 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -61.68 -21.27 64.31 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 166.18 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -132.84 -47.51 0.87 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.101 1.36 . . . . 0.0 113.278 -168.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.5 m -80.92 -9.96 59.77 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -166.588 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.81 32.83 75.72 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.489 1.042 . . . . 0.0 114.805 179.366 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -127.45 118.9 21.62 Favored Pre-proline 0 N--CA 1.475 0.807 0 C-N-CA 125.371 1.468 . . . . 0.0 110.882 -170.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -51.8 -31.85 43.81 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 125.025 3.817 . . . . 0.0 117.057 -177.063 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.38 36.87 1.35 Allowed Glycine 0 CA--C 1.534 1.268 0 C-N-CA 125.809 1.671 . . . . 0.0 115.358 -175.169 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -108.46 155.53 20.49 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.929 1.292 . . . . 0.0 113.331 -179.054 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.2 mt -155.0 172.16 18.55 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 129.117 2.967 . . . . 0.0 108.356 -173.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.6 m -55.45 -19.84 10.63 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.216 1.406 . . . . 0.0 114.49 169.109 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.1 p -94.17 -5.0 48.08 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.476 1.91 . . . . 0.0 114.055 175.881 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -106.23 -43.77 4.72 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.158 1.383 . . . . 0.0 111.292 -177.78 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.1 m -143.17 176.18 9.32 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.371 2.268 . . . . 0.0 110.682 170.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -37.32 65.52 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.858 1.263 . . . . 0.0 113.03 179.765 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.84 161.2 24.8 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.015 1.326 . . . . 0.0 112.47 174.439 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -71.97 168.89 22.7 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 122.97 2.447 . . . . 0.0 111.196 157.569 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -56.91 -15.58 5.13 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.992 1.849 . . . . 0.0 115.992 -173.739 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.8 t -51.92 -32.28 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.775 1.63 . . . . 0.0 112.421 168.17 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.0 t -146.64 -158.82 0.94 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.5 1.92 . . . . 0.0 110.419 -176.311 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -136.84 -11.54 1.76 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.42 2.288 . . . . 0.0 112.775 168.662 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -159.02 -63.1 0.08 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.026 1.33 . . . . 0.0 112.794 -172.433 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -38.11 70.3 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.096 1.758 . . . . 0.0 113.973 -167.294 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.5 pttm 43.49 23.58 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 128.531 2.732 . . . . 0.0 118.062 171.158 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -69.92 151.29 96.26 Favored Pre-proline 0 CA--C 1.551 1.018 0 O-C-N 121.157 -0.964 . . . . 0.0 112.244 176.741 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -52.33 -21.16 12.84 Favored 'Trans proline' 0 CA--C 1.543 0.934 1 C-N-CA 125.509 4.139 . . . . 0.0 119.569 -168.493 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.15 11.11 0.67 Allowed Glycine 0 N--CA 1.478 1.436 0 CA-C-N 119.689 1.132 . . . . 0.0 115.766 -178.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -71.61 -28.98 64.17 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.409 1.104 . . . . 0.0 113.189 179.537 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -64.0 -44.25 93.19 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.838 0.855 . . . . 0.0 112.097 -168.889 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.1 m -59.76 -6.31 1.18 Allowed 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 176.243 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -135.7 13.83 3.42 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.387 1.875 . . . . 0.0 113.825 179.422 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -151.49 -53.29 0.13 Allowed 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 175.126 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.1 m -106.05 -3.71 21.27 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.028 1.331 . . . . 0.0 113.615 -168.156 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.4 tpp85 -152.47 19.4 0.63 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 127.16 2.184 . . . . 0.0 112.989 -176.696 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.9 m . . . . . 0 C--O 1.253 1.263 0 C-N-CA 127.045 2.138 . . . . 0.0 114.161 -179.729 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.0 m -126.57 138.13 53.42 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.846 1.658 . . . . 0.0 109.786 -173.25 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.7 t -60.9 147.35 43.39 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -173.185 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -67.05 -21.73 65.89 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 166.825 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -136.03 -41.04 0.67 Allowed 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -167.765 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 63.1 m -71.1 -17.62 62.57 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -177.709 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.19 28.51 69.23 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.222 0.915 . . . . 0.0 113.745 -172.615 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.44 147.5 38.16 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 125.961 1.705 . . . . 0.0 111.785 -174.527 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -71.71 -169.43 0.43 Allowed 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 123.872 3.048 . . . . 0.0 110.625 161.446 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.59 29.41 73.57 Favored Glycine 0 CA--C 1.533 1.179 0 O-C-N 121.02 -1.05 . . . . 0.0 113.404 179.103 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -117.89 146.66 43.77 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.141 1.376 . . . . 0.0 112.272 -170.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.2 mt -156.18 172.42 18.47 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.922 2.489 . . . . 0.0 109.325 -171.071 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.6 m -52.29 -18.71 1.68 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.622 1.969 . . . . 0.0 115.085 168.663 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.2 p -101.9 -11.08 19.27 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.591 1.957 . . . . 0.0 113.93 178.512 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -92.59 -42.48 9.64 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.528 1.131 . . . . 0.0 111.23 177.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.5 m -143.13 173.19 11.79 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.112 2.165 . . . . 0.0 111.184 176.766 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -50.96 -35.22 32.4 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.902 1.681 . . . . 0.0 114.046 177.103 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -161.4 160.43 23.63 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 124.978 1.311 . . . . 0.0 112.195 166.25 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -72.29 167.4 27.0 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 C-N-CA 122.614 2.209 . . . . 0.0 111.053 156.316 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -53.07 -19.62 2.94 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.838 2.055 . . . . 0.0 115.421 -176.195 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -50.0 -32.27 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 126.073 1.749 . . . . 0.0 112.772 169.212 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.3 t -148.37 -157.42 0.81 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.382 1.873 . . . . 0.0 110.805 -175.72 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -137.89 -19.55 1.16 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.34 2.256 . . . . 0.0 113.073 170.127 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -155.72 -56.81 0.09 Allowed 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -176.315 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -73.71 -34.27 64.74 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -172.038 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.2 pttm 43.29 25.49 0.07 Allowed 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 118.476 2.769 . . . . 0.0 118.476 166.189 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -69.59 152.11 96.37 Favored Pre-proline 0 CA--C 1.552 1.036 0 O-C-N 121.183 -0.948 . . . . 0.0 112.714 177.855 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -52.24 -21.26 12.76 Favored 'Trans proline' 0 CA--C 1.542 0.899 1 C-N-CA 125.521 4.147 . . . . 0.0 119.599 -169.107 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.0 11.34 0.69 Allowed Glycine 0 N--CA 1.476 1.334 0 CA-C-N 119.68 1.127 . . . . 0.0 115.664 -178.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -71.73 -28.05 63.41 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.314 1.057 . . . . 0.0 113.416 179.663 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -63.56 -44.78 93.14 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.789 0.836 . . . . 0.0 112.084 -168.259 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.9 m -59.81 -5.59 0.99 Allowed 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.232 1.568 . . . . 0.0 115.232 175.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -136.58 14.29 3.18 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.489 1.916 . . . . 0.0 113.766 179.339 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -151.21 -56.75 0.15 Allowed 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 174.123 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.0 m -102.09 -4.15 26.39 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.003 1.321 . . . . 0.0 113.83 -168.861 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 tpp85 -152.88 19.73 0.59 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.031 2.132 . . . . 0.0 112.987 -175.536 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 C--O 1.254 1.292 0 C-N-CA 127.044 2.137 . . . . 0.0 114.193 -179.544 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.4 m -122.81 146.42 47.55 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.219 1.808 . . . . 0.0 109.637 -176.302 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.6 t -66.33 149.14 50.82 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -175.096 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -68.98 -18.13 64.02 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 165.74 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -138.45 -47.16 0.51 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -167.29 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.7 m -69.9 -24.37 63.38 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.378 1.071 . . . . 0.0 112.894 -177.612 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.43 0.62 24.33 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 125.44 1.495 . . . . 0.0 114.984 -171.166 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.07 150.38 71.51 Favored Pre-proline 0 N--CA 1.474 0.741 0 C-N-CA 125.199 1.4 . . . . 0.0 112.021 179.729 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -72.07 -168.38 0.37 Allowed 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 124.155 3.237 . . . . 0.0 110.801 162.053 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 61.7 28.68 70.33 Favored Glycine 0 CA--C 1.535 1.298 0 O-C-N 120.965 -1.084 . . . . 0.0 113.414 179.113 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -114.98 148.83 38.27 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.292 1.437 . . . . 0.0 111.976 -171.891 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.1 mt -154.74 173.09 16.91 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.711 2.404 . . . . 0.0 109.27 -172.275 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 m -55.14 -6.81 0.16 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 127.653 2.381 . . . . 0.0 115.939 171.643 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.2 p -120.91 -14.23 8.51 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.967 2.107 . . . . 0.0 113.761 178.528 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -79.61 -36.89 37.29 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.044 0.937 . . . . 0.0 111.032 172.035 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.3 m -142.0 176.31 9.05 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.42 2.288 . . . . 0.0 110.692 173.622 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -32.62 55.92 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.39 1.076 . . . . 0.0 113.212 177.614 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.37 159.85 28.41 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 125.638 1.575 . . . . 0.0 111.291 167.608 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.91 170.18 19.46 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 122.34 2.027 . . . . 0.0 110.902 157.893 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -51.6 -20.28 1.91 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.387 2.275 . . . . 0.0 115.792 -175.624 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.4 t -52.22 -32.8 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 126.123 1.769 . . . . 0.0 112.906 170.676 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.7 t -148.91 -157.8 0.85 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.033 1.733 . . . . 0.0 110.805 -174.574 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -141.0 -18.01 0.83 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.308 2.243 . . . . 0.0 113.289 171.922 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -154.49 -58.85 0.11 Allowed 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -174.145 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 p -80.21 -30.54 38.68 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -170.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.9 pttm 43.79 26.94 0.15 Allowed 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 118.4 2.741 . . . . 0.0 118.4 163.578 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -68.76 153.34 96.03 Favored Pre-proline 0 CA--C 1.553 1.063 0 O-C-N 121.193 -0.942 . . . . 0.0 112.323 177.207 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -52.02 -24.38 19.38 Favored 'Trans proline' 0 CA--C 1.543 0.975 0 C-N-CA 125.054 3.836 . . . . 0.0 119.177 -168.386 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.97 3.9 0.7 Allowed Glycine 0 N--CA 1.477 1.401 0 N-CA-C 116.166 1.227 . . . . 0.0 116.166 -177.681 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -63.77 -27.19 69.02 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -177.572 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -60.94 -41.68 96.72 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.782 0.833 . . . . 0.0 112.34 -168.322 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.3 m -59.42 -8.72 1.91 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 176.76 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -130.37 10.54 5.29 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.085 1.754 . . . . 0.0 114.056 178.138 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -152.02 -49.24 0.11 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 179.726 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 78.5 m -111.75 -4.76 14.56 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.768 1.227 . . . . 0.0 113.493 -167.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.8 tpp85 -151.22 10.41 0.59 Allowed 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 127.201 2.201 . . . . 0.0 113.324 -179.798 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.342 1.857 . . . . 0.0 114.133 174.633 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.2 m -117.85 144.44 45.4 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.408 1.883 . . . . 0.0 109.722 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 t -63.76 148.94 47.94 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -175.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -66.63 -22.95 66.11 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 166.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -139.41 -39.62 0.47 Allowed 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -167.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.4 m -68.03 -25.65 65.48 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.11 0.868 . . . . 0.0 112.871 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.33 6.15 46.32 Favored Glycine 0 CA--C 1.54 1.635 0 C-N-CA 124.997 1.284 . . . . 0.0 114.842 -170.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.79 149.88 49.26 Favored Pre-proline 0 N--CA 1.474 0.745 0 C-N-CA 125.355 1.462 . . . . 0.0 111.935 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -72.08 -168.39 0.37 Allowed 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 124.029 3.153 . . . . 0.0 110.763 161.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 61.59 29.58 72.28 Favored Glycine 0 CA--C 1.534 1.28 0 O-C-N 120.857 -1.152 . . . . 0.0 113.317 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -116.23 151.36 35.91 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 125.319 1.448 . . . . 0.0 111.892 -172.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.2 mt -153.95 170.95 19.82 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 128.113 2.565 . . . . 0.0 108.694 -174.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.1 m -58.03 -2.74 0.18 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.984 2.114 . . . . 0.0 115.768 171.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.0 p -120.15 -13.95 8.89 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.062 2.145 . . . . 0.0 113.559 176.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -79.28 -40.14 31.24 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.163 0.985 . . . . 0.0 110.669 170.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.7 m -140.23 174.54 10.41 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.71 2.404 . . . . 0.0 110.31 173.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.43 -33.97 56.03 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.601 1.16 . . . . 0.0 113.476 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.55 159.99 29.58 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 125.692 1.597 . . . . 0.0 111.057 168.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -71.65 171.57 16.11 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 122.541 2.161 . . . . 0.0 111.044 159.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -53.85 -18.4 3.28 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 126.42 1.888 . . . . 0.0 115.711 -175.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.2 t -50.69 -33.77 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.304 1.842 . . . . 0.0 112.798 169.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 t -147.73 -154.66 0.57 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 126.323 1.849 . . . . 0.0 110.563 -175.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -140.52 -23.0 0.81 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.177 2.191 . . . . 0.0 113.095 171.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -155.67 -53.68 0.09 Allowed 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -176.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.29 -31.36 58.19 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 -171.339 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.2 pttm 44.16 24.11 0.08 Allowed 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 118.795 2.887 . . . . 0.0 118.795 164.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -67.92 152.66 96.21 Favored Pre-proline 0 CA--C 1.551 1.009 0 O-C-N 120.903 -1.123 . . . . 0.0 112.357 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -52.28 -21.95 14.49 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 125.221 3.947 . . . . 0.0 119.525 -167.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.31 3.61 0.47 Allowed Glycine 0 CA--C 1.536 1.4 0 N-CA-C 116.082 1.193 . . . . 0.0 116.082 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -63.2 -28.64 70.19 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.564 1.182 . . . . 0.0 114.075 -177.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -60.81 -41.69 96.2 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.289 1.036 . . . . 0.0 112.056 -170.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.6 m -60.26 -7.15 1.78 Allowed 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 176.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -134.18 13.33 3.89 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.152 1.781 . . . . 0.0 114.079 176.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -149.43 -54.85 0.17 Allowed 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 176.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.7 m -103.75 -4.05 24.17 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.959 1.303 . . . . 0.0 113.629 -168.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -152.1 19.33 0.67 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 127.053 2.141 . . . . 0.0 113.132 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 C--O 1.255 1.379 0 C-N-CA 127.036 2.134 . . . . 0.0 114.091 179.951 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 m -51.05 133.11 27.77 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.215 1.406 . . . . 0.0 113.763 -172.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.1 t -54.43 150.56 8.79 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.052 1.741 . . . . 0.0 114.423 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -62.65 -21.47 65.72 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 166.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -132.57 -46.85 0.89 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.138 1.375 . . . . 0.0 113.247 -168.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 55.8 m -82.04 -10.1 59.33 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -167.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.85 31.3 71.57 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.675 1.131 . . . . 0.0 114.898 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -125.23 116.58 25.53 Favored Pre-proline 0 N--CA 1.476 0.842 0 C-N-CA 125.622 1.569 . . . . 0.0 110.772 -169.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -51.64 -32.13 43.5 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 125.179 3.919 . . . . 0.0 116.888 -177.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.09 35.63 1.28 Allowed Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.807 1.67 . . . . 0.0 115.33 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -105.19 154.29 20.4 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.805 1.242 . . . . 0.0 113.258 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.1 mt -154.18 172.84 16.94 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 129.153 2.981 . . . . 0.0 108.424 -174.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.1 m -54.89 -18.92 5.53 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.569 1.548 . . . . 0.0 114.842 170.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.3 p -97.95 -4.75 35.72 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.701 2.001 . . . . 0.0 114.075 176.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -105.64 -40.81 5.64 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.163 1.385 . . . . 0.0 111.456 -177.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.2 m -143.89 173.51 11.64 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.169 2.188 . . . . 0.0 110.644 167.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.62 -35.24 60.71 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.331 1.453 . . . . 0.0 113.663 175.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.51 160.94 25.82 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 124.564 1.146 . . . . 0.0 113.345 171.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -72.36 173.32 13.31 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 123.107 2.538 . . . . 0.0 111.514 158.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -58.13 -9.45 1.44 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 126.721 2.009 . . . . 0.0 115.766 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.8 t -54.62 -37.08 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.843 1.657 . . . . 0.0 112.521 165.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 t -148.62 -154.74 0.57 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.669 1.587 . . . . 0.0 110.951 -169.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -134.87 -20.64 1.73 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.709 2.004 . . . . 0.0 112.714 168.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -158.28 -51.49 0.07 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.425 1.09 . . . . 0.0 113.939 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -36.85 77.15 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.058 1.343 . . . . 0.0 114.409 -171.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 pttm 42.85 24.83 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 128.569 2.748 . . . . 0.0 118.295 170.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -68.37 152.34 96.64 Favored Pre-proline 0 CA--C 1.552 1.052 0 O-C-N 121.143 -0.973 . . . . 0.0 112.292 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_exo -52.3 -19.28 9.16 Favored 'Trans proline' 0 C--N 1.355 0.906 1 C-N-CA 125.575 4.183 . . . . 0.0 120.032 -167.195 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.11 1.11 0.24 Allowed Glycine 0 N--CA 1.478 1.471 0 N-CA-C 116.462 1.345 . . . . 0.0 116.462 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -64.18 -26.69 68.63 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -177.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -63.71 -41.65 98.07 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.542 1.137 . . . . 0.0 112.501 -169.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.0 m -63.66 -3.68 2.45 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -134.48 9.58 3.7 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.936 1.694 . . . . 0.0 114.092 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -151.02 -51.66 0.13 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 67.0 m -109.07 -17.35 13.91 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -164.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.89 2.59 2.17 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.658 1.983 . . . . 0.0 113.096 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.254 1.305 0 C-N-CA 127.264 2.226 . . . . 0.0 113.964 173.785 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 . . . . . 0 N--CA 1.485 1.304 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.7 m -49.38 140.33 10.44 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.099 1.36 . . . . 0.0 113.984 -173.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.4 t -59.91 152.96 22.17 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.648 1.579 . . . . 0.0 113.867 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -67.02 -15.18 63.56 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 165.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -137.09 -48.86 0.61 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.881 1.272 . . . . 0.0 113.224 -169.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.0 m -80.52 -10.6 59.74 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -167.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.48 28.9 68.21 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 124.692 1.139 . . . . 0.0 114.931 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -121.88 117.64 29.7 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 125.6 1.56 . . . . 0.0 110.807 -170.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.26 -31.61 47.18 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 125.056 3.837 . . . . 0.0 116.95 -176.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.56 31.02 1.22 Allowed Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.746 1.641 . . . . 0.0 115.544 -176.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -101.45 165.22 11.37 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.026 1.33 . . . . 0.0 113.359 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.6 mt -153.36 170.78 19.83 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 128.447 2.699 . . . . 0.0 108.522 -176.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.7 m -58.15 -2.03 0.16 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.451 1.901 . . . . 0.0 115.833 170.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.7 p -127.69 -12.68 5.42 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.025 2.13 . . . . 0.0 114.107 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -74.04 -35.86 64.36 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.17 0.895 . . . . 0.0 111.0 172.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 m -136.97 -179.79 5.91 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 127.649 2.38 . . . . 0.0 109.904 166.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -35.26 59.25 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.232 1.013 . . . . 0.0 112.898 176.243 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.3 160.55 28.41 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 125.62 1.568 . . . . 0.0 112.029 169.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -72.5 174.97 10.78 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 122.881 2.387 . . . . 0.0 111.009 159.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -53.44 -15.78 1.19 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 127.065 2.146 . . . . 0.0 115.531 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.8 t -54.39 -35.03 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.841 1.657 . . . . 0.0 112.927 168.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.1 t -150.29 -153.32 0.48 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.06 1.344 . . . . 0.0 111.348 -170.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -143.0 -18.0 0.66 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.439 2.295 . . . . 0.0 112.959 170.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -156.8 -62.65 0.1 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.827 1.251 . . . . 0.0 113.146 -174.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -73.47 -31.35 63.72 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.503 1.521 . . . . 0.0 114.621 -168.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.252 37.9 pttt 42.11 27.88 0.09 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 128.772 2.829 . . . . 0.0 118.256 165.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -69.82 153.08 95.81 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 124.336 1.054 . . . . 0.0 112.344 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -52.71 -20.33 12.4 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 125.28 3.987 . . . . 0.0 119.754 -168.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.44 1.49 0.29 Allowed Glycine 0 N--CA 1.478 1.487 0 N-CA-C 116.478 1.351 . . . . 0.0 116.478 -178.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -63.95 -27.47 69.16 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -64.23 -39.97 95.07 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.365 1.066 . . . . 0.0 112.988 -165.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.4 m -63.41 -5.44 3.63 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -133.63 12.42 4.08 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.009 1.723 . . . . 0.0 113.847 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -150.06 -46.73 0.13 Allowed 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 84.0 m -113.85 -27.75 7.65 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.639 0.978 . . . . 0.0 113.639 -164.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -123.29 -1.46 8.67 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 127.346 2.258 . . . . 0.0 112.482 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 p . . . . . 0 C--O 1.252 1.204 0 C-N-CA 126.932 2.093 . . . . 0.0 114.072 174.844 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.499 ' N ' HE21 ' A' ' 22' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.274 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.0 m -51.89 136.86 27.65 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.346 1.458 . . . . 0.0 114.223 -170.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.2 t -57.28 151.58 15.66 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.859 1.664 . . . . 0.0 114.16 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -67.11 -15.26 63.6 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 165.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -134.54 -47.92 0.76 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.809 1.244 . . . . 0.0 113.07 -168.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.5 m -81.9 -9.68 59.52 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -167.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.1 34.01 71.57 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.547 1.07 . . . . 0.0 114.238 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -127.12 111.49 21.62 Favored Pre-proline 0 N--CA 1.474 0.75 0 C-N-CA 125.78 1.632 . . . . 0.0 110.658 -165.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -51.69 -32.47 45.4 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 124.98 3.786 . . . . 0.0 116.869 -176.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.69 34.18 1.2 Allowed Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.774 1.654 . . . . 0.0 115.34 -176.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.7 m80 -102.19 158.65 16.02 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.909 1.283 . . . . 0.0 113.525 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -153.33 169.35 23.31 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 128.981 2.912 . . . . 0.0 108.414 -172.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.9 m -56.74 -14.56 3.44 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 169.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.4 p -104.12 -8.47 19.44 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.657 1.983 . . . . 0.0 113.83 176.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -92.97 -41.45 10.0 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.562 1.145 . . . . 0.0 111.293 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.8 m -142.95 175.46 9.82 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 127.173 2.189 . . . . 0.0 110.703 168.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -36.33 60.72 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.022 1.329 . . . . 0.0 113.517 178.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.88 160.16 27.25 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 124.562 1.145 . . . . 0.0 112.922 173.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -73.18 173.22 14.04 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.845 2.363 . . . . 0.0 111.566 160.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -55.24 -12.64 1.03 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 127.35 2.26 . . . . 0.0 115.851 -177.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -56.32 -34.86 41.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 126.052 1.741 . . . . 0.0 112.724 167.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 t -149.63 -153.7 0.51 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.422 1.489 . . . . 0.0 111.062 -169.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -139.49 -17.98 0.99 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.985 2.114 . . . . 0.0 113.012 169.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -155.98 -59.28 0.1 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.315 1.046 . . . . 0.0 113.819 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.6 p -77.92 -29.68 50.2 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -168.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.8 pttm 43.14 26.65 0.09 Allowed 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 118.346 2.721 . . . . 0.0 118.346 165.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -68.17 152.7 96.3 Favored Pre-proline 0 CA--C 1.552 1.052 0 O-C-N 121.147 -0.971 . . . . 0.0 112.537 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -52.45 -18.84 8.78 Favored 'Trans proline' 0 CA--C 1.543 0.934 1 C-N-CA 125.545 4.164 . . . . 0.0 119.943 -167.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.75 1.6 0.27 Allowed Glycine 0 N--CA 1.477 1.403 0 N-CA-C 116.346 1.299 . . . . 0.0 116.346 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -64.16 -29.18 70.31 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.609 1.204 . . . . 0.0 113.939 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -63.29 -40.85 98.53 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.818 1.247 . . . . 0.0 112.672 -165.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.0 m -62.8 -4.8 2.29 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.27 1.428 . . . . 0.0 114.668 175.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -129.99 3.48 4.85 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.623 1.969 . . . . 0.0 113.014 -175.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -152.09 -64.44 0.17 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.111 0.964 . . . . 0.0 112.94 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 82.6 m -91.92 -16.43 26.64 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -164.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -144.83 15.47 1.56 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.056 1.742 . . . . 0.0 113.3 -171.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.9 m . . . . . 0 C--O 1.252 1.228 0 C-N-CA 127.669 2.388 . . . . 0.0 114.357 -178.972 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 . . . . . 0 N--CA 1.485 1.305 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.1 m -50.8 135.54 23.71 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.051 1.34 . . . . 0.0 113.724 -172.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.7 t -57.57 151.3 17.22 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.964 1.706 . . . . 0.0 114.308 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -66.76 -15.26 63.43 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 165.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -135.55 -47.73 0.69 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.776 1.23 . . . . 0.0 113.065 -169.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.0 m -83.19 -10.16 58.76 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -167.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.86 31.0 70.72 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 124.704 1.145 . . . . 0.0 114.821 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -125.53 117.77 24.77 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.71 1.604 . . . . 0.0 110.751 -169.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -52.11 -32.32 48.76 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 125.053 3.835 . . . . 0.0 116.906 -176.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.65 36.69 1.4 Allowed Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.684 1.611 . . . . 0.0 115.318 -175.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -105.86 153.57 21.76 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.818 1.247 . . . . 0.0 113.447 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.3 mt -155.89 173.88 16.13 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 129.509 3.123 . . . . 0.0 108.143 -175.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.0 m -54.07 -24.83 18.81 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 165.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.9 m -85.61 4.24 37.16 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.765 1.626 . . . . 0.0 113.946 175.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -124.59 -44.01 1.99 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.213 1.405 . . . . 0.0 111.902 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.8 m -143.15 174.58 10.57 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.69 1.996 . . . . 0.0 111.384 168.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -40.28 65.75 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.703 1.201 . . . . 0.0 113.037 177.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.49 159.1 30.95 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 124.645 1.178 . . . . 0.0 112.563 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -72.76 173.78 12.88 Favored 'Trans proline' 0 CA--C 1.544 1.001 0 C-N-CA 123.083 2.522 . . . . 0.0 111.575 161.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -54.6 -14.46 1.33 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.275 2.23 . . . . 0.0 115.602 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.0 t -53.54 -35.49 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.696 1.599 . . . . 0.0 112.684 167.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.5 t -150.23 -152.77 0.45 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.305 1.442 . . . . 0.0 111.154 -170.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -140.25 -20.34 0.86 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.973 2.109 . . . . 0.0 112.895 169.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -156.96 -57.52 0.09 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.496 1.119 . . . . 0.0 113.83 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.4 p -75.59 -30.16 59.52 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -169.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.3 pttt 42.43 27.04 0.07 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 128.676 2.79 . . . . 0.0 118.48 164.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -67.84 153.18 95.61 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 124.198 0.999 . . . . 0.0 112.529 177.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -51.74 -20.93 10.37 Favored 'Trans proline' 0 CA--C 1.542 0.923 1 C-N-CA 125.542 4.161 . . . . 0.0 119.842 -167.569 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.08 2.38 0.28 Allowed Glycine 0 N--CA 1.478 1.436 0 N-CA-C 116.337 1.295 . . . . 0.0 116.337 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -63.4 -29.79 71.02 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.585 1.192 . . . . 0.0 114.101 -177.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -62.3 -41.37 98.46 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.907 1.283 . . . . 0.0 113.101 -163.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.0 m -62.04 -8.76 5.78 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -127.22 7.57 6.52 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.652 1.981 . . . . 0.0 112.933 -176.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -149.38 -47.46 0.14 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.2 m -111.96 -24.38 9.98 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.15 0.98 . . . . 0.0 113.622 -164.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -125.75 11.59 7.85 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 127.965 2.506 . . . . 0.0 112.173 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.254 1.303 0 C-N-CA 127.573 2.349 . . . . 0.0 114.489 -177.786 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 . . . . . 0 N--CA 1.485 1.306 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 m -51.07 133.99 27.0 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.08 1.352 . . . . 0.0 113.832 -172.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.1 t -55.82 149.55 14.55 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.809 1.643 . . . . 0.0 114.147 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -63.03 -20.21 65.1 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 166.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -131.83 -48.73 0.95 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.087 1.355 . . . . 0.0 113.062 -169.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 m -81.38 -19.62 42.28 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -166.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.49 6.79 56.14 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.988 1.28 . . . . 0.0 115.779 -176.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.92 124.8 72.11 Favored Pre-proline 0 N--CA 1.48 1.048 0 CA-C-N 119.16 1.48 . . . . 0.0 110.587 176.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.88 -32.02 65.33 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 124.718 3.612 . . . . 0.0 115.998 174.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.24 36.42 1.75 Allowed Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.759 1.647 . . . . 0.0 115.209 -174.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -104.37 156.93 17.51 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 122.59 1.186 . . . . 0.0 113.472 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.2 mt -154.96 171.56 19.51 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 129.355 3.062 . . . . 0.0 108.208 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.8 m -56.67 -17.57 9.27 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.109 1.364 . . . . 0.0 114.607 169.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.3 p -96.21 -4.13 43.01 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.502 1.921 . . . . 0.0 113.934 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -106.68 -41.64 5.19 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.284 1.433 . . . . 0.0 111.146 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.2 m -143.72 174.45 10.79 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.585 2.354 . . . . 0.0 110.167 167.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -56.05 -31.96 63.62 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.819 1.247 . . . . 0.0 114.131 178.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.66 161.34 24.94 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 124.396 1.078 . . . . 0.0 113.427 170.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -71.51 169.6 20.54 Favored 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 123.013 2.475 . . . . 0.0 111.395 157.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -56.15 -16.68 5.56 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.449 1.9 . . . . 0.0 116.022 -173.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.37 -33.54 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.55 1.54 . . . . 0.0 112.529 169.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.9 t -148.92 -158.69 0.94 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.963 1.705 . . . . 0.0 110.945 -171.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -130.19 -17.88 3.37 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.143 2.177 . . . . 0.0 112.592 165.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -157.22 -61.68 0.09 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.705 1.202 . . . . 0.0 113.455 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.28 -32.61 74.12 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.815 1.646 . . . . 0.0 115.319 -169.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? 44.42 20.6 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 119.04 2.978 . . . . 0.0 119.04 170.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -65.26 151.66 93.48 Favored Pre-proline 0 CA--C 1.554 1.099 0 O-C-N 121.091 -1.006 . . . . 0.0 112.405 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -51.73 -23.84 16.54 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 125.19 3.926 . . . . 0.0 119.466 -166.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.28 4.06 0.58 Allowed Glycine 0 CA--C 1.536 1.385 0 N-CA-C 116.005 1.162 . . . . 0.0 116.005 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -64.2 -27.16 68.88 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -61.77 -41.73 98.08 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.954 0.902 . . . . 0.0 112.187 -169.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.6 m -60.38 -6.46 1.55 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -133.99 12.33 3.95 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.186 1.794 . . . . 0.0 114.035 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -150.34 -51.6 0.14 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 176.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.5 m -107.79 -3.33 19.15 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.926 1.29 . . . . 0.0 113.622 -168.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.8 tpp85 -152.64 19.37 0.62 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 127.195 2.198 . . . . 0.0 113.052 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.6 m . . . . . 0 C--O 1.251 1.16 0 C-N-CA 127.001 2.12 . . . . 0.0 114.088 -179.206 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 m -50.18 136.31 19.7 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.06 1.344 . . . . 0.0 113.717 -173.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.4 t -56.88 151.34 14.74 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.471 1.508 . . . . 0.0 114.193 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -66.78 -14.9 63.16 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 165.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -135.54 -47.79 0.69 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.909 1.284 . . . . 0.0 113.059 -169.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.6 m -82.88 -8.93 59.53 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -166.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.86 33.55 74.0 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.491 1.043 . . . . 0.0 114.493 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -127.47 111.29 21.03 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 125.821 1.648 . . . . 0.0 110.701 -166.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -50.63 -32.56 36.12 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 125.258 3.972 . . . . 0.0 117.046 -176.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.64 33.27 1.2 Allowed Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.773 1.654 . . . . 0.0 115.365 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -101.82 158.44 16.12 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.685 1.194 . . . . 0.0 113.436 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.5 mt -154.32 171.97 18.42 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 129.185 2.994 . . . . 0.0 108.248 -175.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.5 p -57.69 -18.13 19.08 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 167.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.8 p -93.0 -5.9 49.57 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.161 1.784 . . . . 0.0 114.085 173.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -104.72 -41.89 5.54 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.907 1.283 . . . . 0.0 111.562 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.4 m -142.55 174.82 10.29 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.045 2.138 . . . . 0.0 110.862 167.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -36.7 53.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.881 1.272 . . . . 0.0 113.41 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.19 159.47 28.91 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 124.866 1.267 . . . . 0.0 112.295 172.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -71.72 173.79 12.09 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.844 2.362 . . . . 0.0 111.178 159.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -54.58 -12.63 0.77 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 127.657 2.383 . . . . 0.0 115.619 -178.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.1 t -54.85 -37.28 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 126.3 1.84 . . . . 0.0 112.84 167.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.7 t -149.44 -157.24 0.8 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.589 1.555 . . . . 0.0 110.832 -170.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -137.85 -10.32 1.57 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.694 1.997 . . . . 0.0 112.865 168.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -158.65 -62.21 0.08 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.305 1.442 . . . . 0.0 112.624 -171.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -36.29 58.91 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.63 1.572 . . . . 0.0 113.671 -164.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.7 pttm 44.08 24.16 0.07 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 128.251 2.62 . . . . 0.0 117.686 171.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -70.23 150.77 95.97 Favored Pre-proline 0 CA--C 1.551 0.991 0 O-C-N 121.156 -0.965 . . . . 0.0 112.061 176.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_exo -52.46 -18.83 8.79 Favored 'Trans proline' 0 CA--C 1.543 0.93 1 C-N-CA 125.559 4.172 . . . . 0.0 119.906 -167.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -155.14 7.39 0.3 Allowed Glycine 0 CA--C 1.535 1.302 0 N-CA-C 116.246 1.258 . . . . 0.0 116.246 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -67.51 -30.81 70.58 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 118.863 1.331 . . . . 0.0 113.832 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -62.03 -41.78 98.47 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.237 1.415 . . . . 0.0 113.41 -163.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.1 m -63.97 -4.84 3.71 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -128.5 8.43 5.91 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.124 1.769 . . . . 0.0 113.331 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -150.9 -57.97 0.17 Allowed 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 67.2 m -101.43 -15.48 17.17 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -164.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.77 15.72 1.77 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.217 1.807 . . . . 0.0 113.041 -173.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 C--O 1.253 1.273 0 C-N-CA 127.689 2.395 . . . . 0.0 114.396 -179.156 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 110.532 -0.173 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.9 m -51.33 137.72 22.63 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.639 1.575 . . . . 0.0 114.611 -168.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.9 t -57.54 151.35 17.03 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.978 1.711 . . . . 0.0 114.293 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -67.61 -13.89 62.47 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 165.221 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -135.05 -48.32 0.73 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.84 1.256 . . . . 0.0 113.103 -169.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.7 m -81.81 -9.82 59.51 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -166.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.3 33.45 70.63 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.377 0.989 . . . . 0.0 114.337 -178.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -126.8 112.27 22.35 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 125.85 1.66 . . . . 0.0 110.458 -166.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -51.61 -31.75 41.57 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 124.931 3.754 . . . . 0.0 116.757 -177.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.5 38.92 1.23 Allowed Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.94 1.733 . . . . 0.0 115.234 -176.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -109.87 157.2 19.47 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.171 1.388 . . . . 0.0 113.574 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.4 mt -155.8 172.45 18.31 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 129.348 3.059 . . . . 0.0 108.476 -175.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.6 m -55.01 -18.4 5.1 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.424 1.489 . . . . 0.0 114.85 169.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.3 p -97.26 -6.3 34.82 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.506 1.922 . . . . 0.0 114.037 176.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -102.11 -40.84 6.64 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.735 1.214 . . . . 0.0 111.705 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.1 m -143.19 174.87 10.33 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.863 2.065 . . . . 0.0 111.069 167.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.42 -35.56 52.29 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.021 1.328 . . . . 0.0 113.49 178.294 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.49 159.79 28.18 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 124.424 1.089 . . . . 0.0 113.064 171.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -72.39 170.21 19.82 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.909 2.406 . . . . 0.0 111.306 158.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -53.06 -20.23 3.44 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.942 2.097 . . . . 0.0 115.495 -176.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.1 t -51.54 -32.49 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 126.317 1.847 . . . . 0.0 112.934 170.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 t -149.35 -156.78 0.75 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.056 1.743 . . . . 0.0 110.911 -171.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -136.76 -19.91 1.33 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.177 2.191 . . . . 0.0 113.02 169.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -156.0 -56.6 0.09 Allowed 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.25 -32.35 62.92 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -170.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 pttm 43.19 24.88 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 118.724 2.861 . . . . 0.0 118.724 165.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -67.76 152.52 96.26 Favored Pre-proline 0 CA--C 1.553 1.07 0 O-C-N 121.024 -1.048 . . . . 0.0 112.446 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -52.35 -20.31 11.25 Favored 'Trans proline' 0 CA--C 1.543 0.965 1 C-N-CA 125.371 4.047 . . . . 0.0 119.56 -168.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.4 2.39 0.4 Allowed Glycine 0 CA--C 1.535 1.317 0 N-CA-C 116.277 1.271 . . . . 0.0 116.277 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -62.93 -29.92 71.16 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.693 1.247 . . . . 0.0 113.848 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -61.85 -40.36 95.06 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.335 1.054 . . . . 0.0 112.187 -168.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.7 m -59.43 -7.53 1.41 Allowed 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 176.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -135.21 14.6 3.52 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.087 1.755 . . . . 0.0 114.072 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -149.66 -54.12 0.16 Allowed 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 175.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 67.9 m -106.13 -3.76 21.09 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.971 1.309 . . . . 0.0 113.655 -168.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -153.19 20.38 0.57 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 127.124 2.169 . . . . 0.0 113.011 -176.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.253 1.261 0 C-N-CA 127.103 2.161 . . . . 0.0 114.214 -179.429 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.0 m -50.63 136.84 20.79 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.736 1.215 . . . . 0.0 113.417 -174.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.5 t -57.61 151.11 17.77 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.429 1.492 . . . . 0.0 114.055 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -66.38 -14.8 62.65 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 165.138 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -136.08 -47.97 0.66 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.839 1.256 . . . . 0.0 113.141 -169.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.7 m -82.78 -9.08 59.51 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -166.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.02 33.28 73.52 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.458 1.028 . . . . 0.0 114.479 -178.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -126.53 112.35 23.02 Favored Pre-proline 0 CA--C 1.545 0.762 0 C-N-CA 125.86 1.664 . . . . 0.0 110.646 -166.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -51.39 -32.84 43.95 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 125.098 3.865 . . . . 0.0 116.937 -177.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.14 32.8 1.31 Allowed Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.744 1.64 . . . . 0.0 115.418 -176.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -100.53 157.67 16.49 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.742 1.217 . . . . 0.0 113.389 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.3 mt -154.55 171.56 19.22 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 128.824 2.85 . . . . 0.0 108.628 -173.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.7 m -55.29 -13.5 1.38 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.075 1.75 . . . . 0.0 115.523 171.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.8 p -108.84 -8.26 15.34 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.58 1.952 . . . . 0.0 113.747 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -92.55 -39.05 11.57 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.644 1.178 . . . . 0.0 111.278 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.1 m -142.79 176.09 9.32 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.182 2.193 . . . . 0.0 110.766 166.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -35.7 61.29 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.638 1.175 . . . . 0.0 113.295 176.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.81 159.93 27.43 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 124.759 1.224 . . . . 0.0 112.964 172.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.84 173.9 12.74 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 123.07 2.513 . . . . 0.0 111.46 159.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -53.96 -13.47 0.78 Allowed 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 128.019 2.528 . . . . 0.0 115.776 -178.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.1 -35.55 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 126.008 1.723 . . . . 0.0 112.723 167.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.4 t -150.04 -154.17 0.54 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 125.384 1.474 . . . . 0.0 111.181 -168.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -137.22 -20.9 1.21 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.621 1.968 . . . . 0.0 112.969 169.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -157.15 -55.23 0.08 Allowed 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.38 -31.25 62.3 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -170.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 pttm 42.82 26.78 0.08 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 128.473 2.709 . . . . 0.0 118.303 166.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -67.61 151.73 96.91 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 124.002 0.921 . . . . 0.0 112.357 177.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -51.8 -20.9 10.54 Favored 'Trans proline' 0 C--N 1.354 0.868 1 C-N-CA 125.496 4.131 . . . . 0.0 119.806 -167.235 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.47 8.72 0.38 Allowed Glycine 0 N--CA 1.475 1.293 0 N-CA-C 116.143 1.217 . . . . 0.0 116.143 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -68.01 -31.35 70.97 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.745 1.273 . . . . 0.0 113.723 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -62.16 -40.25 95.37 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.191 1.396 . . . . 0.0 113.273 -163.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.7 m -63.47 -6.14 4.63 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -128.09 8.08 6.1 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.183 1.793 . . . . 0.0 113.231 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -149.71 -65.88 0.21 Allowed 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.009 0.822 . . . . 0.0 112.923 177.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 73.5 m -91.09 -16.8 27.24 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -165.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.14 15.96 1.89 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.999 1.719 . . . . 0.0 113.326 -172.033 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.252 1.233 0 C-N-CA 127.474 2.309 . . . . 0.0 114.361 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.4 m -50.46 135.11 22.92 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.853 1.261 . . . . 0.0 113.61 -172.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.0 t -56.93 151.13 15.29 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.59 1.556 . . . . 0.0 114.445 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -66.41 -16.1 63.82 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 165.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -136.19 -47.65 0.65 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.844 1.258 . . . . 0.0 113.046 -168.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 54.0 m -82.4 -9.82 59.3 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -167.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.51 31.53 70.83 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.751 1.167 . . . . 0.0 114.676 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -125.58 115.97 24.94 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 125.779 1.631 . . . . 0.0 110.723 -167.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -51.82 -33.07 49.16 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 125.084 3.856 . . . . 0.0 116.891 -177.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.24 36.85 1.32 Allowed Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.937 1.732 . . . . 0.0 115.345 -175.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -106.63 156.35 18.7 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.902 1.281 . . . . 0.0 113.253 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.0 mt -155.43 173.66 16.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 129.434 3.094 . . . . 0.0 108.121 -176.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.1 p -57.85 -19.76 31.41 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 167.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.5 p -87.85 -3.44 58.94 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.184 1.794 . . . . 0.0 114.229 172.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -114.26 -40.35 3.69 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.307 1.443 . . . . 0.0 111.797 -175.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.4 m -143.58 172.44 12.8 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.882 2.073 . . . . 0.0 110.767 168.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.89 -34.72 60.3 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.321 1.448 . . . . 0.0 113.78 176.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.81 160.26 27.39 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 124.802 1.241 . . . . 0.0 112.526 171.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -73.44 175.3 10.82 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 123.053 2.502 . . . . 0.0 111.399 159.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -53.27 -14.47 0.72 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 127.84 2.456 . . . . 0.0 115.66 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.1 t -55.1 -36.2 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.844 1.658 . . . . 0.0 112.722 167.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 t -149.77 -154.02 0.53 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.47 1.508 . . . . 0.0 111.056 -169.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -139.1 -18.55 1.01 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.91 2.084 . . . . 0.0 113.054 169.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -156.61 -58.98 0.09 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.366 1.067 . . . . 0.0 113.798 -177.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -76.1 -30.04 58.13 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -169.208 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 pttm 43.27 26.52 0.1 Allowed 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 118.187 2.662 . . . . 0.0 118.187 166.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -68.24 152.93 96.18 Favored Pre-proline 0 CA--C 1.551 0.993 0 O-C-N 121.126 -0.984 . . . . 0.0 112.592 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -52.4 -19.79 10.4 Favored 'Trans proline' 0 CA--C 1.542 0.906 1 C-N-CA 125.495 4.13 . . . . 0.0 119.934 -167.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.1 2.1 0.27 Allowed Glycine 0 CA--C 1.537 1.437 0 N-CA-C 116.318 1.287 . . . . 0.0 116.318 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -64.23 -27.67 69.22 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.553 1.177 . . . . 0.0 114.146 -177.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -63.78 -41.74 97.88 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.586 1.155 . . . . 0.0 112.628 -167.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.9 m -63.88 -5.07 3.83 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -134.17 11.3 3.87 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.119 1.767 . . . . 0.0 113.967 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -149.66 -66.98 0.21 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.733 0.813 . . . . 0.0 112.51 175.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 80.6 m -90.21 -16.28 29.74 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -166.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.85 15.77 1.76 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.005 1.722 . . . . 0.0 113.326 -171.308 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.251 1.176 0 C-N-CA 127.625 2.37 . . . . 0.0 114.282 -179.536 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.518 ' N ' HE21 ' A' ' 22' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 85.1 m -120.21 144.26 47.82 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.127 1.771 . . . . 0.0 109.511 -177.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.8 t -64.3 149.76 47.48 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -172.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -70.27 -17.16 63.1 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 165.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -137.47 -49.44 0.6 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.519 1.128 . . . . 0.0 113.288 -166.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.8 m -72.4 -22.02 61.18 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.655 1.182 . . . . 0.0 113.067 -174.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.63 5.6 45.59 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 125.169 1.366 . . . . 0.0 114.941 -172.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.9 150.13 49.51 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.338 1.455 . . . . 0.0 111.923 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.97 -169.23 0.43 Allowed 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 124.077 3.185 . . . . 0.0 110.729 161.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.1 29.31 72.43 Favored Glycine 0 CA--C 1.535 1.301 0 O-C-N 120.869 -1.144 . . . . 0.0 113.607 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -113.18 144.94 41.82 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.269 1.428 . . . . 0.0 112.026 -173.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.1 mt -155.94 173.49 16.7 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 128.481 2.712 . . . . 0.0 108.789 -171.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 m -54.46 -20.29 7.31 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.52 1.528 . . . . 0.0 114.607 168.003 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.1 p -93.3 -4.1 52.35 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.493 1.917 . . . . 0.0 114.208 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -109.59 -41.65 4.51 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.338 1.455 . . . . 0.0 111.389 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.3 m -143.24 170.86 14.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.406 2.282 . . . . 0.0 110.564 174.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -56.15 -31.6 63.51 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.805 1.242 . . . . 0.0 113.849 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.84 160.85 29.08 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.122 1.369 . . . . 0.0 111.827 166.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -72.39 174.6 11.29 Favored 'Trans proline' 0 CA--C 1.547 1.139 0 C-N-CA 122.766 2.311 . . . . 0.0 111.413 159.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -53.7 -13.12 0.61 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 127.676 2.39 . . . . 0.0 115.953 -178.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -55.78 -36.41 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 126.009 1.724 . . . . 0.0 112.74 167.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.4 t -149.73 -152.22 0.43 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.519 1.528 . . . . 0.0 110.92 -169.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -139.46 -21.65 0.91 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.75 2.02 . . . . 0.0 113.006 169.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -156.08 -55.99 0.09 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.2 p -76.25 -31.14 58.17 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -170.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.5 pttm 42.67 27.2 0.09 Allowed 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 118.453 2.76 . . . . 0.0 118.453 165.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -68.12 153.23 95.71 Favored Pre-proline 0 CA--C 1.553 1.076 0 O-C-N 121.116 -0.99 . . . . 0.0 112.546 177.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -52.34 -19.29 9.29 Favored 'Trans proline' 0 CA--C 1.544 0.993 1 C-N-CA 125.555 4.17 . . . . 0.0 119.983 -167.446 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.7 1.09 0.26 Allowed Glycine 0 CA--C 1.536 1.37 0 N-CA-C 116.325 1.29 . . . . 0.0 116.325 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -63.54 -28.0 69.65 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 118.663 1.231 . . . . 0.0 113.956 -177.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -62.42 -41.36 98.64 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.498 1.119 . . . . 0.0 112.221 -170.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.3 m -63.99 -3.75 2.83 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.501 1.52 . . . . 0.0 114.976 176.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -135.11 9.63 3.51 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.907 1.683 . . . . 0.0 114.348 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -150.52 -59.14 0.18 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 79.6 m -100.26 -17.69 17.2 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -165.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.32 3.79 1.96 Allowed 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 126.17 1.788 . . . . 0.0 113.398 -176.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 C--O 1.252 1.195 0 C-N-CA 127.172 2.189 . . . . 0.0 114.021 174.395 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.735 ' N ' HE21 ' A' ' 22' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.9 m -51.04 132.96 27.85 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.341 1.457 . . . . 0.0 114.241 -170.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.3 t -53.58 147.28 11.43 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.441 1.497 . . . . 0.0 113.973 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.41 -15.21 60.15 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 167.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -140.2 -40.54 0.43 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -172.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.9 m -75.54 -15.9 60.33 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -177.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.87 32.39 74.76 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.238 0.923 . . . . 0.0 114.339 -175.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -123.28 114.78 28.97 Favored Pre-proline 0 N--CA 1.475 0.806 0 C-N-CA 125.804 1.642 . . . . 0.0 110.948 -167.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 99.6 Cg_exo -51.29 -34.18 48.48 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 125.239 3.96 . . . . 0.0 117.112 -175.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.0 31.47 1.31 Allowed Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.623 1.582 . . . . 0.0 115.509 -175.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -98.46 156.3 16.83 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 122.514 1.149 . . . . 0.0 113.504 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.2 mt -153.86 172.3 17.59 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 128.757 2.823 . . . . 0.0 108.735 -173.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.2 m -54.45 -12.58 0.72 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.623 1.969 . . . . 0.0 116.042 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.0 m -120.27 2.27 10.83 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.841 1.657 . . . . 0.0 113.377 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -93.28 -42.43 9.33 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.282 1.033 . . . . 0.0 110.803 174.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.1 m -142.06 178.13 7.74 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.568 2.347 . . . . 0.0 109.997 164.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -36.72 63.58 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.579 1.152 . . . . 0.0 113.465 178.095 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.73 160.49 25.4 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 124.587 1.155 . . . . 0.0 113.303 173.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -71.89 169.48 21.14 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 122.959 2.44 . . . . 0.0 111.186 158.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -59.49 -4.75 0.66 Allowed 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 116.693 2.108 . . . . 0.0 116.693 -177.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.4 t -56.52 -34.6 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.317 1.447 . . . . 0.0 111.999 163.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 t -148.83 -155.55 0.64 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.878 1.671 . . . . 0.0 111.018 -170.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -135.58 -19.82 1.61 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.563 1.945 . . . . 0.0 112.992 168.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -157.16 -55.45 0.08 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.52 -30.37 61.76 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -170.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.2 pttm 42.74 26.63 0.07 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 118.468 2.766 . . . . 0.0 118.468 166.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -67.73 152.09 96.61 Favored Pre-proline 0 CA--C 1.552 1.038 0 O-C-N 121.149 -0.969 . . . . 0.0 112.449 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -51.75 -20.71 10.03 Favored 'Trans proline' 0 C--N 1.356 0.936 1 C-N-CA 125.493 4.129 . . . . 0.0 119.901 -167.248 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.25 4.09 0.33 Allowed Glycine 0 N--CA 1.478 1.448 0 N-CA-C 116.299 1.28 . . . . 0.0 116.299 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -65.43 -30.13 70.9 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.767 1.284 . . . . 0.0 113.951 -177.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -61.82 -39.29 91.26 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.026 1.33 . . . . 0.0 113.103 -164.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.2 m -62.93 -5.53 2.99 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.188 1.395 . . . . 0.0 114.725 176.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -126.6 3.67 6.82 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.221 1.809 . . . . 0.0 113.434 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -150.47 -63.56 0.2 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.657 0.783 . . . . 0.0 112.94 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 66.6 m -91.62 -17.54 25.4 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -165.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.99 15.58 1.91 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.077 1.751 . . . . 0.0 113.292 -171.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--O 1.253 1.24 0 C-N-CA 127.537 2.335 . . . . 0.0 114.32 -179.865 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 . . . . . 0 N--CA 1.485 1.317 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 m -51.31 135.32 26.87 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.077 1.351 . . . . 0.0 113.921 -171.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.9 t -55.53 151.28 10.72 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.872 1.669 . . . . 0.0 114.065 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -65.57 -15.8 63.07 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 165.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -136.07 -49.75 0.69 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.895 1.278 . . . . 0.0 113.145 -168.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.3 m -81.16 -19.28 43.76 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -166.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.12 5.75 54.53 Favored Glycine 0 CA--C 1.541 1.668 0 C-N-CA 125.026 1.298 . . . . 0.0 115.866 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.31 123.6 74.83 Favored Pre-proline 0 N--CA 1.479 1.024 0 CA-C-N 119.196 1.498 . . . . 0.0 110.682 176.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -53.9 -31.78 64.47 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 124.725 3.617 . . . . 0.0 115.874 174.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.45 32.68 1.6 Allowed Glycine 0 CA--C 1.535 1.341 0 C-N-CA 125.775 1.655 . . . . 0.0 115.313 -175.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -96.9 156.25 16.43 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 122.538 1.161 . . . . 0.0 113.41 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.7 mt -153.12 170.5 20.36 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 128.797 2.839 . . . . 0.0 108.624 -173.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.2 m -55.71 -12.99 1.44 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.206 1.802 . . . . 0.0 115.689 173.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.7 p -111.48 -8.95 14.24 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.434 1.894 . . . . 0.0 113.769 177.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -86.74 -41.55 14.04 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.413 1.085 . . . . 0.0 110.861 176.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.9 m -144.3 175.29 10.2 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.849 2.459 . . . . 0.0 110.108 168.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -55.88 -33.68 64.8 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.099 1.36 . . . . 0.0 113.941 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.71 161.02 25.36 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 124.365 1.066 . . . . 0.0 113.325 172.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -73.16 174.2 12.43 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 123.247 2.632 . . . . 0.0 111.647 158.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -55.62 -10.42 0.68 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 127.134 2.173 . . . . 0.0 115.802 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.8 t -56.67 -36.06 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.686 1.594 . . . . 0.0 112.344 166.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.2 t -149.31 -152.8 0.46 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.511 1.524 . . . . 0.0 111.051 -169.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -137.91 -22.06 1.08 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.744 2.017 . . . . 0.0 112.852 169.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -157.27 -53.9 0.08 Allowed 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.09 -31.45 62.83 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -170.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 pttm 42.84 25.89 0.06 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 118.509 2.781 . . . . 0.0 118.509 166.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -67.22 152.56 95.98 Favored Pre-proline 0 CA--C 1.551 1.017 0 O-C-N 121.17 -0.956 . . . . 0.0 112.45 177.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -52.23 -19.13 8.67 Favored 'Trans proline' 0 CA--C 1.544 0.993 1 C-N-CA 125.578 4.185 . . . . 0.0 120.009 -167.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.64 -0.01 0.24 Allowed Glycine 0 CA--C 1.538 1.492 0 N-CA-C 116.28 1.272 . . . . 0.0 116.28 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -62.77 -29.2 70.52 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.691 1.246 . . . . 0.0 114.082 -177.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -61.53 -41.75 97.81 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.042 1.337 . . . . 0.0 112.494 -167.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.5 m -62.02 -5.74 2.41 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.229 1.412 . . . . 0.0 114.725 175.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -128.1 2.2 5.85 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.69 1.996 . . . . 0.0 113.444 -176.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -151.29 -56.2 0.15 Allowed 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 82.0 m -101.3 -18.65 16.0 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -165.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -139.4 4.3 2.18 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.702 2.001 . . . . 0.0 112.963 -176.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.2 p . . . . . 0 C--O 1.254 1.327 0 C-N-CA 127.29 2.236 . . . . 0.0 113.935 174.462 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 91.0 m -125.29 142.87 51.25 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.007 1.723 . . . . 0.0 109.722 -176.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 t -63.65 149.25 46.94 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 -172.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -67.42 -22.3 65.53 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 166.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -139.71 -39.75 0.46 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -167.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.4 m -69.52 -22.37 63.59 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.079 0.952 . . . . 0.0 113.056 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.5 2.27 20.16 Favored Glycine 0 CA--C 1.542 1.72 0 C-N-CA 125.267 1.413 . . . . 0.0 114.864 -170.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -83.67 146.22 49.28 Favored Pre-proline 0 N--CA 1.472 0.651 0 C-N-CA 125.63 1.572 . . . . 0.0 112.345 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -70.23 -171.1 0.47 Allowed 'Trans proline' 0 CA--C 1.545 1.047 0 C-N-CA 123.739 2.959 . . . . 0.0 111.015 161.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.07 29.77 73.69 Favored Glycine 0 CA--C 1.535 1.283 0 O-C-N 120.848 -1.157 . . . . 0.0 113.538 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -113.81 146.16 40.37 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 125.256 1.423 . . . . 0.0 112.145 -173.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.1 mt -155.56 173.38 16.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 128.429 2.691 . . . . 0.0 108.932 -171.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.8 m -54.95 -20.27 8.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.45 1.5 . . . . 0.0 114.624 168.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.7 p -92.74 -5.4 51.32 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.412 1.885 . . . . 0.0 114.126 175.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -107.36 -41.55 5.06 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.252 1.421 . . . . 0.0 111.294 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.7 m -143.8 171.32 14.38 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.452 2.301 . . . . 0.0 110.674 174.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -55.03 -32.21 61.67 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.949 1.299 . . . . 0.0 113.879 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.72 160.0 29.44 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 124.779 1.232 . . . . 0.0 111.956 167.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -72.38 173.85 12.48 Favored 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 122.794 2.329 . . . . 0.0 111.233 158.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -55.35 -12.07 0.96 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 127.112 2.165 . . . . 0.0 115.918 -176.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.1 t -55.31 -36.2 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.826 1.65 . . . . 0.0 112.703 167.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.5 t -150.26 -153.97 0.52 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.376 1.47 . . . . 0.0 111.271 -169.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -138.49 -19.2 1.08 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.853 2.061 . . . . 0.0 112.975 169.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -155.38 -59.01 0.1 Allowed 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -176.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.9 p -79.29 -28.74 42.27 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -169.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.4 pttm 42.87 28.56 0.14 Allowed 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 118.126 2.639 . . . . 0.0 118.126 164.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -67.93 152.18 96.59 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 123.949 0.9 . . . . 0.0 112.385 177.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -51.99 -21.8 13.07 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 125.289 3.993 . . . . 0.0 119.696 -167.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.71 8.59 0.45 Allowed Glycine 0 N--CA 1.477 1.367 0 N-CA-C 116.024 1.17 . . . . 0.0 116.024 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -67.66 -30.77 70.41 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.707 1.253 . . . . 0.0 113.658 -178.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -62.62 -40.64 97.61 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.873 1.269 . . . . 0.0 113.34 -161.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.7 m -63.31 -5.25 3.24 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 176.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -128.03 7.79 6.1 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.273 1.829 . . . . 0.0 113.282 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -150.2 -62.86 0.21 Allowed 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.155 0.889 . . . . 0.0 113.197 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 85.0 m -95.35 -15.87 22.78 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 -165.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.0 15.49 1.91 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.127 1.771 . . . . 0.0 113.259 -172.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.255 1.385 0 C-N-CA 127.632 2.373 . . . . 0.0 114.382 -179.575 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.713 0.292 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 93.8 m -123.4 145.55 48.69 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.652 1.981 . . . . 0.0 109.427 -175.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 t -64.74 150.67 46.9 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -175.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -70.35 -18.14 63.07 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 165.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -140.7 -43.63 0.4 Allowed 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -166.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.0 m -69.2 -21.49 63.95 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.134 0.973 . . . . 0.0 113.474 -177.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.87 23.7 71.09 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 124.225 0.917 . . . . 0.0 113.953 -172.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -111.73 146.83 35.53 Favored Pre-proline 0 N--CA 1.475 0.812 0 C-N-CA 125.829 1.652 . . . . 0.0 111.936 -174.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -72.28 -168.98 0.42 Allowed 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 123.968 3.112 . . . . 0.0 110.638 163.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 61.47 29.33 71.39 Favored Glycine 0 CA--C 1.535 1.285 0 O-C-N 120.925 -1.11 . . . . 0.0 113.136 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -115.65 150.94 35.93 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.358 1.463 . . . . 0.0 111.681 -173.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.3 mt -153.78 171.2 19.27 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.921 2.488 . . . . 0.0 108.844 -173.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 m -57.01 -3.46 0.12 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.303 2.241 . . . . 0.0 115.886 171.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.0 p -122.25 -13.22 8.15 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.009 2.124 . . . . 0.0 113.662 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -78.13 -39.46 41.15 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.02 0.928 . . . . 0.0 110.644 170.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.9 m -139.88 174.37 10.58 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.629 2.372 . . . . 0.0 110.263 173.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -34.07 57.22 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.539 1.135 . . . . 0.0 113.236 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.94 160.02 30.11 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.661 1.584 . . . . 0.0 111.075 167.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.18 175.71 9.53 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 122.61 2.207 . . . . 0.0 111.287 159.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -53.1 -14.45 0.64 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 127.483 2.313 . . . . 0.0 115.602 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.9 t -54.13 -37.12 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.14 1.776 . . . . 0.0 112.955 167.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.6 t -149.61 -152.28 0.43 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.436 1.494 . . . . 0.0 111.083 -169.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -141.51 -23.35 0.73 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.85 2.06 . . . . 0.0 112.972 170.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -155.28 -54.69 0.09 Allowed 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.201 1.185 . . . . 0.0 114.201 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.1 p -76.86 -30.02 56.1 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -170.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.0 pttm 43.6 26.75 0.13 Allowed 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 118.359 2.725 . . . . 0.0 118.359 164.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -68.42 152.71 96.42 Favored Pre-proline 0 CA--C 1.552 1.033 0 O-C-N 121.151 -0.968 . . . . 0.0 112.576 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -52.48 -19.57 10.23 Favored 'Trans proline' 0 CA--C 1.544 1.0 1 C-N-CA 125.553 4.168 . . . . 0.0 119.901 -167.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.66 1.63 0.28 Allowed Glycine 0 N--CA 1.478 1.442 0 N-CA-C 116.317 1.287 . . . . 0.0 116.317 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -63.51 -28.52 70.01 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.611 1.206 . . . . 0.0 114.213 -177.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -61.4 -42.74 99.21 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.85 1.26 . . . . 0.0 112.596 -170.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.5 m -64.47 -6.09 6.65 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -129.98 7.07 5.08 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.959 1.704 . . . . 0.0 113.795 176.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -147.18 -88.18 0.09 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.655 1.182 . . . . 0.0 110.871 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.1 m -69.41 -18.49 63.76 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -166.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.89 13.74 2.68 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.959 1.704 . . . . 0.0 113.158 -174.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--O 1.254 1.338 0 C-N-CA 126.791 2.037 . . . . 0.0 112.832 178.137 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.6 m -51.63 134.08 30.18 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.244 1.418 . . . . 0.0 114.102 -171.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.0 t -54.51 151.53 7.75 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.996 1.718 . . . . 0.0 114.104 178.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -61.7 -23.68 66.27 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 166.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -131.57 -47.06 0.97 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.094 1.358 . . . . 0.0 113.272 -168.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.3 m -77.59 -10.1 59.31 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -167.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.98 33.15 72.69 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.64 1.114 . . . . 0.0 114.179 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -126.25 112.64 23.7 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 125.761 1.624 . . . . 0.0 110.579 -166.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -51.99 -32.88 50.05 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 124.867 3.711 . . . . 0.0 116.632 -176.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.64 32.59 1.2 Allowed Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.747 1.642 . . . . 0.0 115.472 -176.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -100.25 158.22 16.03 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.698 1.237 . . . . 0.0 113.366 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -152.1 169.71 21.73 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 129.686 3.194 . . . . 0.0 107.58 -177.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 m -57.71 -11.84 2.48 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 172.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.2 p -102.8 -10.97 18.66 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.64 1.976 . . . . 0.0 113.966 175.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -90.57 -43.91 9.9 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.936 1.294 . . . . 0.0 110.856 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 55.7 m -140.73 168.72 19.13 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.221 2.609 . . . . 0.0 108.297 162.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -27.8 52.42 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -177.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.33 153.06 19.19 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 124.563 1.145 . . . . 0.0 112.784 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.0 173.18 14.92 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 123.752 2.968 . . . . 0.0 111.674 163.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -57.02 -15.06 4.31 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 -176.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.2 t -52.38 -32.46 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 125.652 1.581 . . . . 0.0 112.451 168.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.1 t -146.64 -159.99 1.1 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.248 1.819 . . . . 0.0 110.79 -173.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -137.24 -7.13 1.78 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.215 2.206 . . . . 0.0 113.074 168.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -162.98 -61.45 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.087 1.355 . . . . 0.0 113.267 -178.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.75 -33.91 66.67 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.391 1.876 . . . . 0.0 114.981 -167.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.8 pttm 44.05 22.84 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 128.499 2.72 . . . . 0.0 118.209 169.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -67.82 151.99 96.72 Favored Pre-proline 0 CA--C 1.552 1.022 0 O-C-N 121.091 -1.005 . . . . 0.0 112.153 177.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -51.45 -23.91 15.33 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 125.246 3.964 . . . . 0.0 119.492 -166.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.49 5.94 0.55 Allowed Glycine 0 N--CA 1.476 1.347 0 N-CA-C 115.942 1.137 . . . . 0.0 115.942 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -64.05 -30.64 71.7 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.602 1.201 . . . . 0.0 113.827 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -61.02 -41.99 97.6 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.685 1.194 . . . . 0.0 112.619 -167.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.5 m -60.72 -5.96 1.51 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 175.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.12 6.61 5.95 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.815 2.046 . . . . 0.0 113.134 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -151.21 -55.46 0.15 Allowed 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 60.3 m -100.82 -4.47 27.89 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.246 1.418 . . . . 0.0 113.769 -168.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -152.09 18.96 0.67 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.017 2.127 . . . . 0.0 113.139 -175.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.3 m . . . . . 0 C--O 1.254 1.313 0 C-N-CA 126.868 2.067 . . . . 0.0 114.116 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.655 ' N ' HE21 ' A' ' 22' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 m -52.37 135.31 33.32 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.014 1.325 . . . . 0.0 113.96 -170.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.9 t -56.24 147.09 21.66 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.177 1.391 . . . . 0.0 113.814 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -13.88 56.2 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 166.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -134.79 -50.24 0.77 Allowed 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.975 1.31 . . . . 0.0 113.015 -171.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.0 m -80.98 -20.0 42.83 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -167.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.35 5.78 55.81 Favored Glycine 0 CA--C 1.542 1.743 0 C-N-CA 125.062 1.315 . . . . 0.0 116.025 -177.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.13 121.67 77.22 Favored Pre-proline 0 N--CA 1.481 1.083 0 CA-C-N 119.2 1.5 . . . . 0.0 110.77 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -54.25 -32.71 72.31 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 124.481 3.454 . . . . 0.0 115.946 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.01 20.32 3.07 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.571 1.558 . . . . 0.0 115.573 -176.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -79.74 161.94 25.45 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 122.536 1.16 . . . . 0.0 113.42 173.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -150.34 171.25 17.28 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 128.266 2.626 . . . . 0.0 109.054 -174.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.1 t -55.07 -15.4 2.1 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.029 1.731 . . . . 0.0 115.159 174.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.0 p -117.47 -8.04 11.05 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.601 1.961 . . . . 0.0 114.334 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -77.56 -40.12 43.52 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.016 0.826 . . . . 0.0 111.149 176.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.1 m -140.04 178.56 7.18 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.988 2.515 . . . . 0.0 109.39 164.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.96 -38.83 62.47 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.268 1.027 . . . . 0.0 113.26 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.53 160.18 29.54 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 124.998 1.319 . . . . 0.0 112.529 173.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -71.56 170.63 18.08 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 122.933 2.422 . . . . 0.0 111.119 159.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -58.57 -6.08 0.66 Allowed 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 116.668 2.099 . . . . 0.0 116.668 -177.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.4 t -56.91 -35.07 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.306 1.443 . . . . 0.0 112.129 164.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.0 t -147.88 -154.46 0.55 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.787 1.635 . . . . 0.0 110.862 -172.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -139.84 -19.72 0.91 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.904 2.082 . . . . 0.0 112.831 169.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -158.0 -55.34 0.07 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.555 1.142 . . . . 0.0 113.711 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -33.12 68.68 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.25 1.42 . . . . 0.0 114.739 -170.247 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.3 pttt 42.89 26.25 0.07 Allowed 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 128.588 2.755 . . . . 0.0 118.375 167.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -70.16 152.62 95.69 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 124.105 0.962 . . . . 0.0 112.324 176.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.01 -19.44 11.54 Favored 'Trans proline' 0 C--N 1.356 0.949 1 C-N-CA 125.332 4.021 . . . . 0.0 119.786 -168.481 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.86 0.78 0.24 Allowed Glycine 0 N--CA 1.478 1.453 0 N-CA-C 116.352 1.301 . . . . 0.0 116.352 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -63.29 -28.51 70.07 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.631 1.216 . . . . 0.0 114.276 -177.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -62.55 -40.85 98.14 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.88 1.272 . . . . 0.0 112.894 -167.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.9 m -63.47 -4.45 2.78 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.04 1.336 . . . . 0.0 114.602 175.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -129.71 3.83 4.99 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.546 1.938 . . . . 0.0 112.955 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -152.08 -63.11 0.17 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.178 0.991 . . . . 0.0 112.883 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 62.9 m -91.91 -17.89 24.55 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -164.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -144.16 14.29 1.65 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.066 1.746 . . . . 0.0 113.197 -170.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.254 1.31 0 C-N-CA 127.684 2.394 . . . . 0.0 114.464 -178.854 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.5 m -51.01 136.99 22.19 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.895 1.278 . . . . 0.0 113.519 -174.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.64 150.69 22.57 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.346 1.458 . . . . 0.0 114.013 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -66.25 -15.66 63.38 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 165.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -135.0 -48.39 0.73 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.957 1.303 . . . . 0.0 113.015 -168.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 54.9 m -82.05 -9.84 59.42 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -168.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.59 33.67 73.07 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.74 1.162 . . . . 0.0 114.567 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 tpmt? -126.2 115.43 23.7 Favored Pre-proline 0 N--CA 1.475 0.798 0 C-N-CA 125.237 1.415 . . . . 0.0 111.125 -169.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -51.81 -32.77 47.74 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 125.042 3.828 . . . . 0.0 117.125 -176.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.1 24.5 1.66 Allowed Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.44 1.495 . . . . 0.0 115.562 -176.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -89.32 161.32 16.42 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.581 1.181 . . . . 0.0 113.622 177.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -151.12 169.6 21.46 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 128.746 2.818 . . . . 0.0 108.728 -174.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.1 p -58.33 -11.82 3.15 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 169.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.8 p -108.28 -10.56 15.35 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.52 1.928 . . . . 0.0 113.865 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -86.79 -38.68 16.64 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.406 1.082 . . . . 0.0 111.36 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.2 m -142.47 176.08 9.29 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.334 2.253 . . . . 0.0 110.721 167.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -35.27 59.2 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.75 1.22 . . . . 0.0 113.425 177.009 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.23 160.2 26.49 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 124.711 1.204 . . . . 0.0 112.547 171.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -71.75 172.75 13.83 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 122.85 2.367 . . . . 0.0 111.322 158.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -55.32 -13.8 1.54 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 127.462 2.305 . . . . 0.0 115.537 -178.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.03 -34.64 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 126.005 1.722 . . . . 0.0 112.603 166.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.4 t -149.27 -152.71 0.45 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.517 1.527 . . . . 0.0 111.051 -170.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -140.2 -22.14 0.84 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.793 2.037 . . . . 0.0 112.903 170.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -156.74 -53.97 0.08 Allowed 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.58 -31.36 62.04 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -171.06 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.9 pttm 43.31 25.76 0.08 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 118.434 2.753 . . . . 0.0 118.434 165.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -68.08 152.3 96.56 Favored Pre-proline 0 CA--C 1.554 1.108 0 O-C-N 121.104 -0.998 . . . . 0.0 112.407 177.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -52.57 -19.42 10.19 Favored 'Trans proline' 0 CA--C 1.543 0.973 1 C-N-CA 125.467 4.112 . . . . 0.0 119.963 -167.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.03 1.33 0.25 Allowed Glycine 0 N--CA 1.478 1.435 0 N-CA-C 116.327 1.291 . . . . 0.0 116.327 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -63.61 -28.55 70.0 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 118.63 1.215 . . . . 0.0 114.148 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -63.4 -40.3 96.83 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.37 1.068 . . . . 0.0 113.066 -164.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.7 m -62.83 -7.35 4.89 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -134.08 15.41 3.86 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.179 1.792 . . . . 0.0 113.676 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -148.86 -46.35 0.15 Allowed 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 176.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 85.2 m -114.97 -24.17 8.73 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -165.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -126.01 12.07 7.74 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 127.695 2.398 . . . . 0.0 112.137 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.253 1.281 0 C-N-CA 127.61 2.364 . . . . 0.0 114.474 -177.629 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.5 m -50.49 135.01 23.22 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.903 1.281 . . . . 0.0 113.568 -173.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.7 t -57.05 150.48 17.03 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.594 1.558 . . . . 0.0 114.416 -178.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -67.14 -14.55 63.01 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 166.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -135.13 -48.37 0.73 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.949 1.299 . . . . 0.0 113.044 -170.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 44.3 m -83.3 -11.77 57.37 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.63 1.172 . . . . 0.0 114.089 -167.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.56 23.89 63.36 Favored Glycine 0 CA--C 1.539 1.593 0 C-N-CA 124.87 1.224 . . . . 0.0 115.442 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -115.65 122.88 32.09 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 125.33 1.452 . . . . 0.0 110.979 -172.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -52.49 -34.17 60.77 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 124.932 3.755 . . . . 0.0 116.549 -176.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.37 35.69 1.34 Allowed Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.937 1.732 . . . . 0.0 115.388 -174.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -103.61 155.77 18.3 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.722 1.209 . . . . 0.0 113.104 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.9 mt -155.14 172.46 18.11 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 129.094 2.958 . . . . 0.0 108.406 -174.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m -54.85 -18.54 4.98 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.649 1.58 . . . . 0.0 114.882 170.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.6 p -98.5 -6.49 30.18 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.481 1.912 . . . . 0.0 114.039 176.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -101.64 -42.23 6.29 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.969 1.308 . . . . 0.0 111.373 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.8 m -142.85 174.47 10.63 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 127.241 2.216 . . . . 0.0 110.706 168.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -36.07 63.34 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.541 1.136 . . . . 0.0 113.423 178.227 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.75 160.14 27.54 Favored Pre-proline 0 CA--C 1.549 0.922 0 C-N-CA 124.74 1.216 . . . . 0.0 112.885 174.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.99 173.72 13.14 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 123.073 2.515 . . . . 0.0 111.412 159.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -53.98 -13.94 0.91 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 127.599 2.36 . . . . 0.0 115.704 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.1 t -54.82 -36.61 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 126.097 1.759 . . . . 0.0 112.785 167.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.1 t -149.44 -156.1 0.69 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.368 1.467 . . . . 0.0 111.173 -168.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -136.82 -17.88 1.41 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.814 2.045 . . . . 0.0 113.011 169.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -157.22 -58.25 0.08 Allowed 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.58 -29.83 59.45 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -169.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 pttm 43.12 26.9 0.1 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 128.405 2.682 . . . . 0.0 118.22 166.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -69.03 153.06 96.48 Favored Pre-proline 0 CA--C 1.552 1.056 0 O-C-N 121.233 -0.917 . . . . 0.0 112.463 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -53.16 -17.8 8.95 Favored 'Trans proline' 0 CA--C 1.544 1.001 1 C-N-CA 125.387 4.058 . . . . 0.0 120.047 -168.023 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.21 -1.63 0.18 Allowed Glycine 0 N--CA 1.478 1.487 0 N-CA-C 116.621 1.408 . . . . 0.0 116.621 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -61.95 -28.67 69.71 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -62.83 -40.57 97.82 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.952 1.301 . . . . 0.0 112.84 -168.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.7 m -62.87 -8.06 6.3 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -130.26 8.84 5.14 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.103 1.761 . . . . 0.0 113.894 177.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -147.35 -81.25 0.14 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.094 0.958 . . . . 0.0 111.158 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 62.7 m -76.53 -17.68 59.12 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -166.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.29 13.45 2.81 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.294 1.838 . . . . 0.0 112.986 -175.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.961 2.104 . . . . 0.0 112.915 177.992 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.2 m -50.5 136.16 21.36 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.822 1.249 . . . . 0.0 113.498 -174.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.7 t -56.81 151.62 14.0 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.523 1.529 . . . . 0.0 114.215 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -66.68 -15.22 63.35 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 165.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -136.01 -47.16 0.65 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.891 1.276 . . . . 0.0 113.215 -169.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.0 m -82.92 -8.67 59.55 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -166.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.98 33.96 76.55 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.43 1.014 . . . . 0.0 114.452 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -128.17 111.69 19.88 Favored Pre-proline 0 N--CA 1.474 0.745 0 C-N-CA 125.872 1.669 . . . . 0.0 110.705 -166.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -51.06 -32.72 40.16 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 125.25 3.967 . . . . 0.0 116.877 -177.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.9 34.66 1.24 Allowed Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.769 1.652 . . . . 0.0 115.328 -177.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -103.43 158.69 16.17 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.843 1.257 . . . . 0.0 113.279 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.3 mt -153.66 171.27 19.08 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 129.236 3.014 . . . . 0.0 108.183 -175.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.9 p -58.23 -16.85 15.39 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 168.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.6 p -94.56 -9.05 36.43 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.08 1.752 . . . . 0.0 113.967 173.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -99.04 -42.36 7.14 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.813 1.245 . . . . 0.0 111.343 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.2 m -142.79 172.97 11.97 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.384 2.274 . . . . 0.0 110.459 168.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.409 ' H ' ' HD2' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -54.47 -34.11 60.94 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.194 1.398 . . . . 0.0 113.772 -178.692 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.08 159.97 29.02 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.195 1.398 . . . . 0.0 112.127 170.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -72.52 174.65 11.31 Favored 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 123.078 2.519 . . . . 0.0 111.249 159.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -54.81 -12.39 0.78 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 127.547 2.339 . . . . 0.0 115.726 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -55.77 -36.64 43.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.889 1.676 . . . . 0.0 112.713 167.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.2 t -149.36 -153.64 0.51 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.499 1.52 . . . . 0.0 111.014 -169.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -139.59 -19.64 0.94 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.746 2.018 . . . . 0.0 113.002 170.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -156.77 -56.73 0.08 Allowed 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -178.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.6 p -77.31 -29.18 53.55 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -169.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.2 pttm 43.52 26.64 0.12 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 118.17 2.656 . . . . 0.0 118.17 164.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -68.18 153.17 95.85 Favored Pre-proline 0 CA--C 1.553 1.063 0 O-C-N 121.044 -1.035 . . . . 0.0 112.55 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_exo -52.55 -19.56 10.4 Favored 'Trans proline' 0 CA--C 1.544 1.012 1 C-N-CA 125.534 4.156 . . . . 0.0 119.941 -167.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.7 0.42 0.24 Allowed Glycine 0 N--CA 1.478 1.442 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -63.03 -28.0 69.79 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -177.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -62.19 -41.44 98.34 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.623 1.169 . . . . 0.0 112.577 -168.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.5 m -63.52 -4.21 2.69 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -135.46 10.85 3.47 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.014 1.726 . . . . 0.0 114.246 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -150.42 -55.87 0.16 Allowed 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 77.4 m -105.34 -17.71 14.36 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -165.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -139.3 3.91 2.18 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.225 1.81 . . . . 0.0 113.286 -177.338 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.1 p . . . . . 0 C--O 1.254 1.308 0 C-N-CA 127.215 2.206 . . . . 0.0 113.932 173.802 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.2 m -51.17 136.78 23.51 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.181 1.392 . . . . 0.0 113.948 -171.683 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.4 t -57.64 151.28 17.52 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.455 1.502 . . . . 0.0 113.798 178.14 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -66.1 -16.1 63.66 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 166.397 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -141.21 -42.45 0.38 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -171.33 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.2 m -74.84 -24.16 58.55 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -175.724 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.71 6.82 56.98 Favored Glycine 0 CA--C 1.542 1.726 0 C-N-CA 124.869 1.223 . . . . 0.0 115.852 -174.488 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.71 123.28 76.39 Favored Pre-proline 0 N--CA 1.48 1.056 0 CA-C-N 119.183 1.491 . . . . 0.0 110.891 177.275 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -54.37 -32.35 71.95 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 124.688 3.592 . . . . 0.0 116.045 175.644 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.91 28.08 1.92 Allowed Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.491 1.519 . . . . 0.0 115.329 -175.265 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -89.97 159.84 16.69 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 122.544 1.164 . . . . 0.0 113.591 177.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.6 mt -150.39 169.48 21.32 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 128.546 2.738 . . . . 0.0 108.842 -173.436 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.9 p -57.71 -12.58 3.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.838 1.655 . . . . 0.0 115.298 171.323 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.0 p -110.13 -10.53 14.66 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.567 1.947 . . . . 0.0 113.871 175.864 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -83.77 -39.83 19.55 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.276 1.03 . . . . 0.0 111.306 178.829 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.5 m -143.75 175.84 9.69 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.984 2.514 . . . . 0.0 110.087 168.599 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -53.99 -32.89 55.49 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.271 1.428 . . . . 0.0 113.986 177.028 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.77 160.29 25.31 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 124.506 1.122 . . . . 0.0 113.007 169.732 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -71.12 170.0 19.21 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 122.83 2.353 . . . . 0.0 111.172 156.62 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -55.44 -16.63 3.9 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.741 2.016 . . . . 0.0 115.783 -175.603 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.4 t -53.85 -31.45 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 126.011 1.724 . . . . 0.0 112.559 169.413 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.0 t -147.41 -156.78 0.75 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.267 1.827 . . . . 0.0 110.543 -173.598 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -137.23 -20.77 1.21 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.157 2.183 . . . . 0.0 113.167 170.056 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -156.87 -54.84 0.08 Allowed 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -177.64 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.35 -30.95 62.24 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -171.555 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.7 pttm 43.73 24.11 0.06 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 118.632 2.827 . . . . 0.0 118.632 165.588 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -67.98 151.51 97.14 Favored Pre-proline 0 CA--C 1.553 1.074 0 O-C-N 121.089 -1.007 . . . . 0.0 112.217 178.009 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -51.58 -24.4 17.07 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 125.158 3.905 . . . . 0.0 119.29 -167.914 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.83 11.36 0.71 Allowed Glycine 0 N--CA 1.476 1.307 0 N-CA-C 115.812 1.085 . . . . 0.0 115.812 -178.059 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -68.44 -30.26 69.09 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.652 1.226 . . . . 0.0 113.701 -179.353 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -60.69 -41.33 94.91 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.399 1.079 . . . . 0.0 112.823 -164.677 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.8 m -60.48 -5.09 1.05 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 175.704 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -127.33 6.29 6.37 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.633 1.973 . . . . 0.0 113.425 178.19 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -152.65 -48.6 0.1 Allowed 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 69.2 m -110.64 -4.99 15.14 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.131 1.372 . . . . 0.0 113.544 -167.829 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 tpp85 -149.31 3.38 0.58 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 127.265 2.226 . . . . 0.0 113.618 179.512 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.252 1.206 0 C-N-CA 126.879 2.072 . . . . 0.0 113.865 173.657 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.0 m -49.73 136.99 16.68 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.133 1.373 . . . . 0.0 114.096 -173.071 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.3 t -56.06 153.19 9.32 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.821 1.648 . . . . 0.0 114.144 178.794 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -66.49 -15.16 63.15 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 165.204 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -138.18 -48.67 0.54 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.928 1.291 . . . . 0.0 113.5 -169.496 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.8 m -80.75 -9.93 59.77 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 -165.404 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.58 28.57 69.96 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.388 0.994 . . . . 0.0 114.967 -179.559 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -118.17 113.61 37.24 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 125.891 1.676 . . . . 0.0 111.218 -172.613 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -51.1 -32.57 39.97 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 125.118 3.878 . . . . 0.0 116.292 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.79 26.5 1.4 Allowed Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.629 1.585 . . . . 0.0 115.43 -177.86 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -90.9 156.95 17.62 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 122.604 1.193 . . . . 0.0 113.645 177.82 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.9 mt -154.61 171.95 18.65 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 129.253 3.021 . . . . 0.0 108.267 -175.93 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.1 m -55.71 -18.01 7.19 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.204 1.402 . . . . 0.0 114.761 169.101 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.1 p -97.92 -4.62 36.06 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.506 1.923 . . . . 0.0 114.026 175.787 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -104.52 -40.57 6.0 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.02 1.328 . . . . 0.0 111.377 -178.365 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.0 m -142.68 172.91 12.05 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.503 1.921 . . . . 0.0 111.069 164.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.429 ' H ' ' NE ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -48.39 -37.38 16.76 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.908 2.083 . . . . 0.0 113.619 175.148 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.77 159.93 27.52 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.749 1.219 . . . . 0.0 112.72 169.354 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -71.99 174.52 11.15 Favored 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 123.158 2.572 . . . . 0.0 111.394 158.611 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -55.07 -13.56 1.22 Allowed 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 127.135 2.174 . . . . 0.0 115.672 -178.12 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.9 t -54.58 -34.5 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.77 1.628 . . . . 0.0 112.676 167.388 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.3 t -150.44 -152.14 0.42 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.257 1.423 . . . . 0.0 111.144 -169.905 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -138.77 -22.18 0.97 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.015 2.126 . . . . 0.0 112.792 169.41 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -157.08 -54.83 0.08 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -179.843 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -73.91 -32.21 63.44 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -170.175 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.9 pttm 42.56 26.14 0.06 Allowed 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 118.531 2.789 . . . . 0.0 118.531 166.408 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -67.22 152.39 96.16 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 124.108 0.963 . . . . 0.0 112.395 177.671 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -51.84 -19.84 8.8 Favored 'Trans proline' 0 CA--C 1.542 0.891 1 C-N-CA 125.554 4.169 . . . . 0.0 120.001 -167.175 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.6 1.53 0.28 Allowed Glycine 0 N--CA 1.477 1.398 0 N-CA-C 116.302 1.281 . . . . 0.0 116.302 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -63.64 -29.85 71.04 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.644 1.222 . . . . 0.0 113.889 -177.378 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -62.19 -40.71 96.97 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.902 1.281 . . . . 0.0 112.805 -164.866 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.4 m -61.83 -7.0 3.1 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.269 1.428 . . . . 0.0 114.597 176.466 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -127.16 4.54 6.41 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.816 2.046 . . . . 0.0 113.164 -177.2 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -150.38 -45.11 0.13 Allowed 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -176.214 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 84.2 m -115.08 -27.88 7.17 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.064 0.946 . . . . 0.0 113.473 -164.832 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -122.13 -1.08 9.31 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.93 2.492 . . . . 0.0 112.368 177.686 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.8 p . . . . . 0 C--O 1.252 1.234 0 C-N-CA 127.119 2.168 . . . . 0.0 114.092 175.507 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 97.9 m -120.48 142.22 49.48 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.872 1.669 . . . . 0.0 110.006 -178.574 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.9 t -63.68 150.15 44.98 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -172.885 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -71.82 -16.24 62.16 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 165.509 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -138.16 -47.91 0.53 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.333 1.053 . . . . 0.0 113.433 -166.14 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.1 m -73.96 -16.65 61.08 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.56 1.144 . . . . 0.0 113.669 -171.352 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.23 45.91 95.22 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.054 0.835 . . . . 0.0 112.77 -174.598 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.52 144.12 35.42 Favored Pre-proline 0 N--CA 1.476 0.855 0 C-N-CA 125.645 1.578 . . . . 0.0 111.732 -171.86 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -70.67 -170.11 0.43 Allowed 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 123.902 3.068 . . . . 0.0 111.135 164.71 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.7 28.19 72.97 Favored Glycine 0 CA--C 1.535 1.307 0 O-C-N 121.064 -1.023 . . . . 0.0 113.486 179.542 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -113.69 146.05 40.42 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.064 1.345 . . . . 0.0 112.119 -173.804 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.9 mt -156.06 173.22 17.13 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 128.578 2.751 . . . . 0.0 108.712 -172.698 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.2 m -54.83 -20.41 8.59 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.277 1.431 . . . . 0.0 114.523 168.355 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.6 p -92.4 -6.18 50.56 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.345 1.858 . . . . 0.0 114.204 175.614 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -105.99 -42.5 5.1 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.241 1.416 . . . . 0.0 111.321 179.763 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.4 m -143.39 170.15 16.32 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.222 2.209 . . . . 0.0 110.748 176.44 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -56.68 -31.52 64.52 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.791 1.236 . . . . 0.0 113.876 179.195 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.14 160.55 28.75 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 124.795 1.238 . . . . 0.0 112.19 168.294 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -72.37 171.72 16.43 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 122.662 2.242 . . . . 0.0 111.275 158.7 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -51.91 -19.67 1.9 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 127.084 2.154 . . . . 0.0 116.032 -176.093 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.9 t -53.06 -33.1 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 126.275 1.83 . . . . 0.0 112.874 170.925 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 t -149.12 -157.53 0.83 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.08 1.752 . . . . 0.0 110.844 -171.632 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -136.88 -16.88 1.45 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.325 2.25 . . . . 0.0 113.074 169.458 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -156.45 -62.03 0.1 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.652 1.181 . . . . 0.0 113.402 -174.174 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.24 -32.51 61.15 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.257 1.423 . . . . 0.0 114.548 -168.322 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.3 pttm 42.97 25.61 0.06 Allowed 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 118.371 2.73 . . . . 0.0 118.371 166.584 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -68.48 152.9 96.34 Favored Pre-proline 0 CA--C 1.552 1.034 0 O-C-N 121.209 -0.932 . . . . 0.0 112.151 177.09 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -52.15 -21.49 12.98 Favored 'Trans proline' 0 CA--C 1.543 0.941 1 C-N-CA 125.331 4.02 . . . . 0.0 119.455 -168.124 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.21 3.03 0.45 Allowed Glycine 0 N--CA 1.476 1.33 0 N-CA-C 116.264 1.266 . . . . 0.0 116.264 -179.399 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -63.04 -29.38 70.77 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.691 1.245 . . . . 0.0 113.936 -177.869 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -61.77 -40.3 94.68 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 124.183 0.993 . . . . 0.0 112.16 -169.434 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.7 m -59.38 -7.71 1.45 Allowed 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 115.243 1.572 . . . . 0.0 115.243 176.657 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -134.78 13.84 3.67 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.022 1.729 . . . . 0.0 114.054 177.293 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -149.86 -53.26 0.16 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 176.08 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.4 m -106.17 -3.81 20.98 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.909 1.284 . . . . 0.0 113.59 -168.653 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 tpp85 -152.65 19.9 0.61 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.146 2.179 . . . . 0.0 113.062 -176.567 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 C--O 1.253 1.242 0 C-N-CA 127.082 2.153 . . . . 0.0 114.112 -179.53 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.6 m -51.24 136.25 24.85 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.106 1.363 . . . . 0.0 113.923 -172.746 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.2 t -58.13 151.66 18.49 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.94 1.696 . . . . 0.0 114.396 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -67.6 -14.97 63.4 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 165.744 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -135.43 -47.17 0.69 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.84 1.256 . . . . 0.0 113.094 -169.652 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 55.7 m -83.7 -10.06 58.42 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -167.469 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.48 30.68 68.76 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.71 1.148 . . . . 0.0 114.823 -179.582 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -124.45 116.69 26.73 Favored Pre-proline 0 N--CA 1.476 0.832 0 C-N-CA 125.693 1.597 . . . . 0.0 110.758 -168.776 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -51.71 -31.9 43.16 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 125.093 3.862 . . . . 0.0 116.966 -177.135 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.1 34.69 1.28 Allowed Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.792 1.663 . . . . 0.0 115.464 -176.124 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -104.17 157.18 17.3 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.784 1.234 . . . . 0.0 113.345 -179.642 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.6 mt -154.14 170.57 20.88 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 128.91 2.884 . . . . 0.0 108.52 -173.732 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.5 m -56.68 -11.81 1.54 Allowed 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 171.737 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.6 m -113.43 0.4 14.73 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.881 1.673 . . . . 0.0 113.306 176.792 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -96.91 -41.06 8.6 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.875 1.27 . . . . 0.0 110.69 174.23 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.8 m -143.56 173.88 11.26 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.758 2.423 . . . . 0.0 110.406 169.241 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -55.57 -32.58 63.15 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.26 1.424 . . . . 0.0 114.13 177.903 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.2 159.7 26.6 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 124.425 1.09 . . . . 0.0 112.966 171.667 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -71.38 170.72 17.71 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 122.847 2.365 . . . . 0.0 111.282 158.127 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -52.68 -20.41 3.08 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 127.013 2.125 . . . . 0.0 115.655 -176.871 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.5 t -52.0 -32.63 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 126.151 1.78 . . . . 0.0 112.879 171.014 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 t -148.89 -156.23 0.7 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.134 1.774 . . . . 0.0 110.844 -172.875 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -137.87 -17.94 1.22 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.338 2.255 . . . . 0.0 113.175 169.618 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -155.53 -59.98 0.11 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -176.101 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 p -77.28 -30.41 54.26 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -169.653 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.5 pttm 43.26 26.14 0.08 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 118.458 2.762 . . . . 0.0 118.458 165.019 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -67.69 151.8 96.85 Favored Pre-proline 0 CA--C 1.552 1.041 0 O-C-N 121.09 -1.006 . . . . 0.0 112.349 177.819 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -51.96 -23.3 16.31 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 125.202 3.935 . . . . 0.0 119.335 -167.803 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.06 9.29 0.71 Allowed Glycine 0 N--CA 1.478 1.487 0 CA-C-N 119.631 1.105 . . . . 0.0 115.844 -178.251 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -67.99 -29.98 69.13 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.499 1.149 . . . . 0.0 113.703 -179.51 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -62.42 -42.51 99.49 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.055 0.942 . . . . 0.0 112.601 -163.972 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.6 m -59.08 -6.39 0.85 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 175.135 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -128.82 4.48 5.43 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 127.067 2.147 . . . . 0.0 113.134 -176.937 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -151.92 -52.3 0.12 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 75.1 m -106.6 -3.13 21.05 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.266 1.427 . . . . 0.0 113.515 -168.173 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -152.29 19.2 0.65 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.094 2.158 . . . . 0.0 113.108 -177.095 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.4 m . . . . . 0 C--O 1.255 1.367 0 C-N-CA 127.039 2.136 . . . . 0.0 114.24 -179.75 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.3 m -125.01 142.13 51.69 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.907 1.683 . . . . 0.0 109.855 -173.89 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.2 t -64.7 148.16 51.62 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -172.48 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -68.83 -17.8 64.06 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 165.926 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -141.11 -42.99 0.38 Allowed 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -167.193 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.1 m -71.22 -17.29 62.52 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -174.618 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.33 36.3 93.22 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 123.819 0.723 . . . . 0.0 113.074 -173.02 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -130.03 142.58 45.9 Favored Pre-proline 0 N--CA 1.475 0.787 0 C-N-CA 125.99 1.716 . . . . 0.0 112.036 -168.432 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.62 -170.28 0.58 Allowed 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.938 3.092 . . . . 0.0 110.739 163.829 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.33 29.67 75.24 Favored Glycine 0 CA--C 1.533 1.216 0 O-C-N 121.16 -0.962 . . . . 0.0 113.258 179.349 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -116.67 146.45 42.74 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.193 1.397 . . . . 0.0 112.393 -170.784 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.7 mt -155.95 174.38 15.42 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 128.655 2.782 . . . . 0.0 108.787 -173.037 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 56.4 p -56.53 -18.15 10.72 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 165.916 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.3 p -92.71 -1.46 56.82 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.235 1.814 . . . . 0.0 114.06 174.111 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -114.29 -38.74 4.03 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.282 1.433 . . . . 0.0 111.623 -179.278 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 m -143.1 172.36 12.82 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.002 2.121 . . . . 0.0 110.896 172.305 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.6 -32.72 52.27 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.134 1.374 . . . . 0.0 113.773 177.449 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.19 159.72 28.85 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 125.16 1.384 . . . . 0.0 111.746 167.167 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -71.27 168.94 21.96 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 122.55 2.167 . . . . 0.0 110.85 157.301 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -53.56 -18.5 2.91 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 127.031 2.132 . . . . 0.0 115.915 -174.659 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.4 t -51.64 -32.65 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 126.114 1.766 . . . . 0.0 112.656 169.346 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.8 t -148.53 -159.28 1.01 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.327 1.851 . . . . 0.0 110.611 -175.403 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -138.91 -14.15 1.2 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.406 2.282 . . . . 0.0 112.847 170.491 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -155.85 -63.25 0.11 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.902 1.281 . . . . 0.0 112.915 -171.589 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.17 -36.11 66.54 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.951 1.7 . . . . 0.0 114.038 -168.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.1 pttm 43.58 23.49 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 128.636 2.774 . . . . 0.0 118.313 169.194 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -68.91 151.76 97.11 Favored Pre-proline 0 CA--C 1.55 0.969 0 O-C-N 121.171 -0.956 . . . . 0.0 112.072 176.553 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_exo -52.17 -21.99 14.19 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 125.216 3.944 . . . . 0.0 119.32 -168.404 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.0 2.18 0.51 Allowed Glycine 0 CA--C 1.536 1.392 0 N-CA-C 116.29 1.276 . . . . 0.0 116.29 -178.579 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -62.34 -30.57 71.26 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.693 1.246 . . . . 0.0 114.005 -177.166 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -60.25 -40.49 90.48 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.69 1.196 . . . . 0.0 112.565 -169.202 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.9 m -58.89 -10.53 2.51 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 176.059 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -127.25 6.07 6.4 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.695 1.998 . . . . 0.0 113.16 -178.198 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -150.66 -59.2 0.18 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 179.047 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 61.7 m -96.64 -4.84 40.3 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.917 1.287 . . . . 0.0 113.96 -168.435 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -152.51 19.14 0.63 Allowed 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.721 2.009 . . . . 0.0 113.278 -175.433 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m . . . . . 0 C--O 1.252 1.201 0 C-N-CA 126.928 2.091 . . . . 0.0 114.244 -179.788 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 . . . . . 0 N--CA 1.485 1.295 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 m -49.46 138.64 13.16 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.459 1.504 . . . . 0.0 114.062 -173.391 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.38 153.16 16.18 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.817 1.647 . . . . 0.0 113.957 178.741 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -66.98 -15.68 63.87 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 164.865 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -135.94 -48.1 0.67 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.911 1.284 . . . . 0.0 113.304 -168.771 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.8 m -81.98 -9.49 59.55 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -166.735 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.22 32.54 72.05 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 124.534 1.064 . . . . 0.0 114.56 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -125.86 113.39 24.6 Favored Pre-proline 0 N--CA 1.475 0.822 0 C-N-CA 125.62 1.568 . . . . 0.0 110.827 -168.136 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -51.53 -32.03 41.99 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 125.064 3.843 . . . . 0.0 116.999 -176.031 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.07 26.55 1.19 Allowed Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.616 1.579 . . . . 0.0 115.628 -176.901 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -92.86 162.57 14.04 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 122.584 1.183 . . . . 0.0 113.434 177.745 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.6 mt -152.01 171.92 17.08 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 128.19 2.596 . . . . 0.0 109.091 -172.259 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.7 t -55.13 -13.97 1.44 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.938 1.695 . . . . 0.0 114.932 170.896 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.3 p -120.58 -11.08 9.12 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.518 1.927 . . . . 0.0 114.587 -179.668 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -74.85 -38.35 61.99 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.26 0.936 . . . . 0.0 111.15 175.234 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.5 m -139.17 179.27 6.61 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.126 2.571 . . . . 0.0 109.364 165.913 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.17 -38.95 63.23 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.31 1.044 . . . . 0.0 112.893 178.208 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.61 159.23 30.77 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 125.108 1.363 . . . . 0.0 112.314 174.285 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -72.68 175.67 9.92 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 123.146 2.564 . . . . 0.0 111.496 161.248 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -53.48 -13.94 0.71 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 127.618 2.367 . . . . 0.0 115.777 -178.204 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -56.5 -36.75 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 126.253 1.821 . . . . 0.0 112.87 168.632 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.6 t -148.76 -153.73 0.51 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.257 1.423 . . . . 0.0 111.141 -169.667 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -141.08 -20.55 0.79 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.901 2.081 . . . . 0.0 112.921 169.837 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -158.42 -54.53 0.07 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.657 1.183 . . . . 0.0 113.596 -177.249 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -36.5 76.52 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.377 1.471 . . . . 0.0 114.502 -170.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.9 pttt 42.23 27.25 0.07 Allowed 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 128.674 2.79 . . . . 0.0 117.871 170.189 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -69.61 151.28 96.63 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 124.101 0.96 . . . . 0.0 112.187 176.378 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -51.9 -22.48 14.15 Favored 'Trans proline' 0 CA--C 1.542 0.888 1 C-N-CA 125.396 4.064 . . . . 0.0 119.536 -167.343 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.1 16.91 0.45 Allowed Glycine 0 N--CA 1.476 1.303 0 CA-C-N 119.574 1.079 . . . . 0.0 115.74 -177.779 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -76.05 -29.76 58.15 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 118.513 1.157 . . . . 0.0 113.879 -178.761 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -61.25 -41.52 97.04 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.361 1.465 . . . . 0.0 113.698 -163.037 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.8 m -63.82 -4.45 3.21 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 178.232 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -127.84 5.26 6.03 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.83 2.052 . . . . 0.0 112.855 -177.502 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -149.81 -64.56 0.21 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.856 0.862 . . . . 0.0 112.686 177.282 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.3 m -90.01 -19.31 24.57 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -166.085 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.26 15.18 2.04 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.994 1.718 . . . . 0.0 113.235 -169.879 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 C--O 1.254 1.325 0 C-N-CA 127.589 2.356 . . . . 0.0 114.346 -179.928 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 . . . . . 0 N--CA 1.486 1.326 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.7 m -50.2 136.44 19.58 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.002 1.321 . . . . 0.0 113.575 -173.317 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.1 t -55.07 150.23 10.85 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.442 1.497 . . . . 0.0 113.873 -179.777 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -19.06 63.35 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 166.513 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -133.99 -48.2 0.8 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.251 1.42 . . . . 0.0 113.455 -170.319 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.2 m -79.62 -10.33 59.78 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -166.111 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.92 30.47 73.26 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 124.394 0.997 . . . . 0.0 114.78 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -122.78 115.49 29.42 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 125.869 1.668 . . . . 0.0 110.61 -170.003 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -52.13 -32.65 50.48 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 124.975 3.783 . . . . 0.0 116.98 -175.682 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.47 29.38 1.22 Allowed Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.723 1.63 . . . . 0.0 115.554 -176.171 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -98.96 165.35 11.79 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.826 1.25 . . . . 0.0 113.08 178.253 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.7 mt -152.23 170.9 18.88 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 128.515 2.726 . . . . 0.0 108.549 -176.363 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 64.8 m -57.53 -3.7 0.2 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.296 1.838 . . . . 0.0 115.735 170.309 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.1 p -126.48 -11.25 6.26 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.854 2.062 . . . . 0.0 114.132 177.666 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -74.84 -39.03 61.84 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.166 0.894 . . . . 0.0 110.874 173.796 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.2 m -137.07 -177.14 4.63 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 128.103 2.561 . . . . 0.0 109.437 167.298 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -37.39 61.9 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.632 1.173 . . . . 0.0 112.637 179.451 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.37 162.13 24.18 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 125.842 1.657 . . . . 0.0 111.779 171.299 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -71.65 168.78 22.72 Favored 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 122.791 2.327 . . . . 0.0 110.853 156.305 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -56.4 -15.79 4.68 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.249 1.82 . . . . 0.0 115.748 -174.919 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.3 t -50.64 -33.47 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 126.136 1.775 . . . . 0.0 112.483 167.738 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.5 t -148.88 -159.59 1.06 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.193 1.797 . . . . 0.0 110.876 -174.478 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -138.97 -16.12 1.11 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.399 2.28 . . . . 0.0 113.052 170.066 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -156.79 -60.4 0.09 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.344 1.057 . . . . 0.0 113.808 -175.365 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.13 -32.68 69.27 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.295 1.438 . . . . 0.0 114.528 -171.345 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.9 pttt 42.35 24.8 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 129.255 3.022 . . . . 0.0 118.84 165.148 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -69.39 152.89 96.29 Favored Pre-proline 0 CA--C 1.551 1.018 0 O-C-N 121.206 -0.934 . . . . 0.0 112.087 175.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -52.31 -22.35 15.56 Favored 'Trans proline' 0 CA--C 1.542 0.9 0 C-N-CA 125.199 3.933 . . . . 0.0 119.305 -169.608 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -149.59 1.97 0.54 Allowed Glycine 0 CA--C 1.538 1.473 0 N-CA-C 116.245 1.258 . . . . 0.0 116.245 -177.749 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -62.34 -29.62 70.58 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.743 1.271 . . . . 0.0 114.154 -177.276 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -60.05 -40.77 90.58 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.618 1.167 . . . . 0.0 112.553 -169.639 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.8 m -59.51 -9.69 2.74 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 175.415 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -125.99 4.2 7.26 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.755 2.022 . . . . 0.0 113.043 -178.003 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -150.83 -64.16 0.19 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.801 0.84 . . . . 0.0 113.059 178.553 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.4 m -89.04 -6.19 57.34 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -168.649 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -152.32 18.64 0.65 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.329 1.852 . . . . 0.0 113.417 -174.187 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.7 m . . . . . 0 C--O 1.253 1.244 0 C-N-CA 126.802 2.041 . . . . 0.0 114.2 -179.815 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.4 m -48.89 133.2 18.07 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.219 1.407 . . . . 0.0 114.15 -173.157 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.9 t -54.36 150.18 9.13 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.08 1.752 . . . . 0.0 114.355 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -61.68 -21.27 64.31 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 166.18 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -132.84 -47.51 0.87 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.101 1.36 . . . . 0.0 113.278 -168.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.5 m -80.92 -9.96 59.77 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -166.588 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.81 32.83 75.72 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.489 1.042 . . . . 0.0 114.805 179.366 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -127.45 118.9 21.62 Favored Pre-proline 0 N--CA 1.475 0.807 0 C-N-CA 125.371 1.468 . . . . 0.0 110.882 -170.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -51.8 -31.85 43.81 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 125.025 3.817 . . . . 0.0 117.057 -177.063 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.38 36.87 1.35 Allowed Glycine 0 CA--C 1.534 1.268 0 C-N-CA 125.809 1.671 . . . . 0.0 115.358 -175.169 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -108.46 155.53 20.49 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.929 1.292 . . . . 0.0 113.331 -179.054 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.2 mt -155.0 172.16 18.55 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 129.117 2.967 . . . . 0.0 108.356 -173.925 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.6 m -55.45 -19.84 10.63 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.216 1.406 . . . . 0.0 114.49 169.109 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.1 p -94.17 -5.0 48.08 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.476 1.91 . . . . 0.0 114.055 175.881 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -106.23 -43.77 4.72 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.158 1.383 . . . . 0.0 111.292 -177.78 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.1 m -143.17 176.18 9.32 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.371 2.268 . . . . 0.0 110.682 170.918 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -37.32 65.52 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.858 1.263 . . . . 0.0 113.03 179.765 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.84 161.2 24.8 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.015 1.326 . . . . 0.0 112.47 174.439 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -71.97 168.89 22.7 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 122.97 2.447 . . . . 0.0 111.196 157.569 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -56.91 -15.58 5.13 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.992 1.849 . . . . 0.0 115.992 -173.739 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.8 t -51.92 -32.28 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.775 1.63 . . . . 0.0 112.421 168.17 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.0 t -146.64 -158.82 0.94 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.5 1.92 . . . . 0.0 110.419 -176.311 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -136.84 -11.54 1.76 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.42 2.288 . . . . 0.0 112.775 168.662 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -159.02 -63.1 0.08 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.026 1.33 . . . . 0.0 112.794 -172.433 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -38.11 70.3 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.096 1.758 . . . . 0.0 113.973 -167.294 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.5 pttm 43.49 23.58 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 128.531 2.732 . . . . 0.0 118.062 171.158 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -69.92 151.29 96.26 Favored Pre-proline 0 CA--C 1.551 1.018 0 O-C-N 121.157 -0.964 . . . . 0.0 112.244 176.741 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -52.33 -21.16 12.84 Favored 'Trans proline' 0 CA--C 1.543 0.934 1 C-N-CA 125.509 4.139 . . . . 0.0 119.569 -168.493 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.15 11.11 0.67 Allowed Glycine 0 N--CA 1.478 1.436 0 CA-C-N 119.689 1.132 . . . . 0.0 115.766 -178.926 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -71.61 -28.98 64.17 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.409 1.104 . . . . 0.0 113.189 179.537 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -64.0 -44.25 93.19 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.838 0.855 . . . . 0.0 112.097 -168.889 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.1 m -59.76 -6.31 1.18 Allowed 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 176.243 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -135.7 13.83 3.42 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.387 1.875 . . . . 0.0 113.825 179.422 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -151.49 -53.29 0.13 Allowed 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 175.126 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.1 m -106.05 -3.71 21.27 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.028 1.331 . . . . 0.0 113.615 -168.156 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.4 tpp85 -152.47 19.4 0.63 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 127.16 2.184 . . . . 0.0 112.989 -176.696 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.9 m . . . . . 0 C--O 1.253 1.263 0 C-N-CA 127.045 2.138 . . . . 0.0 114.161 -179.729 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.0 m -126.57 138.13 53.42 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.846 1.658 . . . . 0.0 109.786 -173.25 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.7 t -60.9 147.35 43.39 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -173.185 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -67.05 -21.73 65.89 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 166.825 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -136.03 -41.04 0.67 Allowed 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -167.765 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 63.1 m -71.1 -17.62 62.57 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -177.709 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.19 28.51 69.23 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.222 0.915 . . . . 0.0 113.745 -172.615 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.44 147.5 38.16 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 125.961 1.705 . . . . 0.0 111.785 -174.527 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -71.71 -169.43 0.43 Allowed 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 123.872 3.048 . . . . 0.0 110.625 161.446 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.59 29.41 73.57 Favored Glycine 0 CA--C 1.533 1.179 0 O-C-N 121.02 -1.05 . . . . 0.0 113.404 179.103 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -117.89 146.66 43.77 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.141 1.376 . . . . 0.0 112.272 -170.973 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.2 mt -156.18 172.42 18.47 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.922 2.489 . . . . 0.0 109.325 -171.071 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.6 m -52.29 -18.71 1.68 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.622 1.969 . . . . 0.0 115.085 168.663 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.2 p -101.9 -11.08 19.27 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.591 1.957 . . . . 0.0 113.93 178.512 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -92.59 -42.48 9.64 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.528 1.131 . . . . 0.0 111.23 177.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.5 m -143.13 173.19 11.79 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.112 2.165 . . . . 0.0 111.184 176.766 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -50.96 -35.22 32.4 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.902 1.681 . . . . 0.0 114.046 177.103 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -161.4 160.43 23.63 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 124.978 1.311 . . . . 0.0 112.195 166.25 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -72.29 167.4 27.0 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 C-N-CA 122.614 2.209 . . . . 0.0 111.053 156.316 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -53.07 -19.62 2.94 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.838 2.055 . . . . 0.0 115.421 -176.195 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -50.0 -32.27 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 126.073 1.749 . . . . 0.0 112.772 169.212 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.3 t -148.37 -157.42 0.81 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.382 1.873 . . . . 0.0 110.805 -175.72 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -137.89 -19.55 1.16 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.34 2.256 . . . . 0.0 113.073 170.127 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -155.72 -56.81 0.09 Allowed 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -176.315 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -73.71 -34.27 64.74 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -172.038 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.2 pttm 43.29 25.49 0.07 Allowed 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 118.476 2.769 . . . . 0.0 118.476 166.189 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -69.59 152.11 96.37 Favored Pre-proline 0 CA--C 1.552 1.036 0 O-C-N 121.183 -0.948 . . . . 0.0 112.714 177.855 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -52.24 -21.26 12.76 Favored 'Trans proline' 0 CA--C 1.542 0.899 1 C-N-CA 125.521 4.147 . . . . 0.0 119.599 -169.107 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.0 11.34 0.69 Allowed Glycine 0 N--CA 1.476 1.334 0 CA-C-N 119.68 1.127 . . . . 0.0 115.664 -178.89 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -71.73 -28.05 63.41 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.314 1.057 . . . . 0.0 113.416 179.663 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -63.56 -44.78 93.14 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.789 0.836 . . . . 0.0 112.084 -168.259 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.9 m -59.81 -5.59 0.99 Allowed 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.232 1.568 . . . . 0.0 115.232 175.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -136.58 14.29 3.18 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.489 1.916 . . . . 0.0 113.766 179.339 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -151.21 -56.75 0.15 Allowed 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 174.123 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.0 m -102.09 -4.15 26.39 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.003 1.321 . . . . 0.0 113.83 -168.861 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 tpp85 -152.88 19.73 0.59 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.031 2.132 . . . . 0.0 112.987 -175.536 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 C--O 1.254 1.292 0 C-N-CA 127.044 2.137 . . . . 0.0 114.193 -179.544 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.4 m -122.81 146.42 47.55 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.219 1.808 . . . . 0.0 109.637 -176.302 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.6 t -66.33 149.14 50.82 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -175.096 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -68.98 -18.13 64.02 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 165.74 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -138.45 -47.16 0.51 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -167.29 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.7 m -69.9 -24.37 63.38 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.378 1.071 . . . . 0.0 112.894 -177.612 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.43 0.62 24.33 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 125.44 1.495 . . . . 0.0 114.984 -171.166 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.07 150.38 71.51 Favored Pre-proline 0 N--CA 1.474 0.741 0 C-N-CA 125.199 1.4 . . . . 0.0 112.021 179.729 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -72.07 -168.38 0.37 Allowed 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 124.155 3.237 . . . . 0.0 110.801 162.053 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 61.7 28.68 70.33 Favored Glycine 0 CA--C 1.535 1.298 0 O-C-N 120.965 -1.084 . . . . 0.0 113.414 179.113 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -114.98 148.83 38.27 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.292 1.437 . . . . 0.0 111.976 -171.891 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.1 mt -154.74 173.09 16.91 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.711 2.404 . . . . 0.0 109.27 -172.275 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 m -55.14 -6.81 0.16 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 127.653 2.381 . . . . 0.0 115.939 171.643 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.2 p -120.91 -14.23 8.51 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.967 2.107 . . . . 0.0 113.761 178.528 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -79.61 -36.89 37.29 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.044 0.937 . . . . 0.0 111.032 172.035 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.3 m -142.0 176.31 9.05 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.42 2.288 . . . . 0.0 110.692 173.622 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -32.62 55.92 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.39 1.076 . . . . 0.0 113.212 177.614 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.37 159.85 28.41 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 125.638 1.575 . . . . 0.0 111.291 167.608 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.91 170.18 19.46 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 122.34 2.027 . . . . 0.0 110.902 157.893 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -51.6 -20.28 1.91 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.387 2.275 . . . . 0.0 115.792 -175.624 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.4 t -52.22 -32.8 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 126.123 1.769 . . . . 0.0 112.906 170.676 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.7 t -148.91 -157.8 0.85 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.033 1.733 . . . . 0.0 110.805 -174.574 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -141.0 -18.01 0.83 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.308 2.243 . . . . 0.0 113.289 171.922 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -154.49 -58.85 0.11 Allowed 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -174.145 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 p -80.21 -30.54 38.68 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -170.621 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.9 pttm 43.79 26.94 0.15 Allowed 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 118.4 2.741 . . . . 0.0 118.4 163.578 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -68.76 153.34 96.03 Favored Pre-proline 0 CA--C 1.553 1.063 0 O-C-N 121.193 -0.942 . . . . 0.0 112.323 177.207 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -52.02 -24.38 19.38 Favored 'Trans proline' 0 CA--C 1.543 0.975 0 C-N-CA 125.054 3.836 . . . . 0.0 119.177 -168.386 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.97 3.9 0.7 Allowed Glycine 0 N--CA 1.477 1.401 0 N-CA-C 116.166 1.227 . . . . 0.0 116.166 -177.681 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -63.77 -27.19 69.02 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -177.572 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -60.94 -41.68 96.72 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.782 0.833 . . . . 0.0 112.34 -168.322 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.3 m -59.42 -8.72 1.91 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 176.76 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -130.37 10.54 5.29 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.085 1.754 . . . . 0.0 114.056 178.138 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -152.02 -49.24 0.11 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 179.726 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 78.5 m -111.75 -4.76 14.56 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.768 1.227 . . . . 0.0 113.493 -167.964 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.8 tpp85 -151.22 10.41 0.59 Allowed 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 127.201 2.201 . . . . 0.0 113.324 -179.798 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.342 1.857 . . . . 0.0 114.133 174.633 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.2 m -117.85 144.44 45.4 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.408 1.883 . . . . 0.0 109.722 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 t -63.76 148.94 47.94 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -175.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -66.63 -22.95 66.11 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 166.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -139.41 -39.62 0.47 Allowed 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -167.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.4 m -68.03 -25.65 65.48 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.11 0.868 . . . . 0.0 112.871 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.33 6.15 46.32 Favored Glycine 0 CA--C 1.54 1.635 0 C-N-CA 124.997 1.284 . . . . 0.0 114.842 -170.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.79 149.88 49.26 Favored Pre-proline 0 N--CA 1.474 0.745 0 C-N-CA 125.355 1.462 . . . . 0.0 111.935 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -72.08 -168.39 0.37 Allowed 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 124.029 3.153 . . . . 0.0 110.763 161.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 61.59 29.58 72.28 Favored Glycine 0 CA--C 1.534 1.28 0 O-C-N 120.857 -1.152 . . . . 0.0 113.317 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -116.23 151.36 35.91 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 125.319 1.448 . . . . 0.0 111.892 -172.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.2 mt -153.95 170.95 19.82 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 128.113 2.565 . . . . 0.0 108.694 -174.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.1 m -58.03 -2.74 0.18 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.984 2.114 . . . . 0.0 115.768 171.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.0 p -120.15 -13.95 8.89 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.062 2.145 . . . . 0.0 113.559 176.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -79.28 -40.14 31.24 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.163 0.985 . . . . 0.0 110.669 170.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.7 m -140.23 174.54 10.41 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.71 2.404 . . . . 0.0 110.31 173.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.43 -33.97 56.03 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.601 1.16 . . . . 0.0 113.476 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.55 159.99 29.58 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 125.692 1.597 . . . . 0.0 111.057 168.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -71.65 171.57 16.11 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 122.541 2.161 . . . . 0.0 111.044 159.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -53.85 -18.4 3.28 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 126.42 1.888 . . . . 0.0 115.711 -175.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.2 t -50.69 -33.77 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.304 1.842 . . . . 0.0 112.798 169.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 t -147.73 -154.66 0.57 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 126.323 1.849 . . . . 0.0 110.563 -175.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -140.52 -23.0 0.81 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.177 2.191 . . . . 0.0 113.095 171.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -155.67 -53.68 0.09 Allowed 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -176.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.29 -31.36 58.19 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 -171.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.2 pttm 44.16 24.11 0.08 Allowed 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 118.795 2.887 . . . . 0.0 118.795 164.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -67.92 152.66 96.21 Favored Pre-proline 0 CA--C 1.551 1.009 0 O-C-N 120.903 -1.123 . . . . 0.0 112.357 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -52.28 -21.95 14.49 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 125.221 3.947 . . . . 0.0 119.525 -167.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.31 3.61 0.47 Allowed Glycine 0 CA--C 1.536 1.4 0 N-CA-C 116.082 1.193 . . . . 0.0 116.082 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -63.2 -28.64 70.19 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.564 1.182 . . . . 0.0 114.075 -177.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -60.81 -41.69 96.2 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.289 1.036 . . . . 0.0 112.056 -170.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.6 m -60.26 -7.15 1.78 Allowed 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 176.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -134.18 13.33 3.89 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.152 1.781 . . . . 0.0 114.079 176.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -149.43 -54.85 0.17 Allowed 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 176.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.7 m -103.75 -4.05 24.17 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.959 1.303 . . . . 0.0 113.629 -168.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -152.1 19.33 0.67 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 127.053 2.141 . . . . 0.0 113.132 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 C--O 1.255 1.379 0 C-N-CA 127.036 2.134 . . . . 0.0 114.091 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 m -51.05 133.11 27.77 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.215 1.406 . . . . 0.0 113.763 -172.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.1 t -54.43 150.56 8.79 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.052 1.741 . . . . 0.0 114.423 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -62.65 -21.47 65.72 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 166.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -132.57 -46.85 0.89 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.138 1.375 . . . . 0.0 113.247 -168.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 55.8 m -82.04 -10.1 59.33 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -167.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.85 31.3 71.57 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.675 1.131 . . . . 0.0 114.898 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -125.23 116.58 25.53 Favored Pre-proline 0 N--CA 1.476 0.842 0 C-N-CA 125.622 1.569 . . . . 0.0 110.772 -169.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -51.64 -32.13 43.5 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 125.179 3.919 . . . . 0.0 116.888 -177.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.09 35.63 1.28 Allowed Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.807 1.67 . . . . 0.0 115.33 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -105.19 154.29 20.4 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.805 1.242 . . . . 0.0 113.258 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.1 mt -154.18 172.84 16.94 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 129.153 2.981 . . . . 0.0 108.424 -174.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.1 m -54.89 -18.92 5.53 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.569 1.548 . . . . 0.0 114.842 170.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.3 p -97.95 -4.75 35.72 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.701 2.001 . . . . 0.0 114.075 176.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -105.64 -40.81 5.64 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.163 1.385 . . . . 0.0 111.456 -177.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.2 m -143.89 173.51 11.64 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.169 2.188 . . . . 0.0 110.644 167.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.62 -35.24 60.71 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.331 1.453 . . . . 0.0 113.663 175.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.51 160.94 25.82 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 124.564 1.146 . . . . 0.0 113.345 171.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -72.36 173.32 13.31 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 123.107 2.538 . . . . 0.0 111.514 158.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -58.13 -9.45 1.44 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 126.721 2.009 . . . . 0.0 115.766 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.8 t -54.62 -37.08 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.843 1.657 . . . . 0.0 112.521 165.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 t -148.62 -154.74 0.57 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.669 1.587 . . . . 0.0 110.951 -169.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -134.87 -20.64 1.73 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.709 2.004 . . . . 0.0 112.714 168.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -158.28 -51.49 0.07 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.425 1.09 . . . . 0.0 113.939 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -36.85 77.15 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.058 1.343 . . . . 0.0 114.409 -171.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 pttm 42.85 24.83 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 128.569 2.748 . . . . 0.0 118.295 170.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -68.37 152.34 96.64 Favored Pre-proline 0 CA--C 1.552 1.052 0 O-C-N 121.143 -0.973 . . . . 0.0 112.292 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_exo -52.3 -19.28 9.16 Favored 'Trans proline' 0 C--N 1.355 0.906 1 C-N-CA 125.575 4.183 . . . . 0.0 120.032 -167.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.11 1.11 0.24 Allowed Glycine 0 N--CA 1.478 1.471 0 N-CA-C 116.462 1.345 . . . . 0.0 116.462 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -64.18 -26.69 68.63 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -177.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -63.71 -41.65 98.07 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.542 1.137 . . . . 0.0 112.501 -169.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.0 m -63.66 -3.68 2.45 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -134.48 9.58 3.7 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.936 1.694 . . . . 0.0 114.092 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -151.02 -51.66 0.13 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 67.0 m -109.07 -17.35 13.91 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -164.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.89 2.59 2.17 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.658 1.983 . . . . 0.0 113.096 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.254 1.305 0 C-N-CA 127.264 2.226 . . . . 0.0 113.964 173.785 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 . . . . . 0 N--CA 1.485 1.304 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.7 m -49.38 140.33 10.44 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.099 1.36 . . . . 0.0 113.984 -173.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.4 t -59.91 152.96 22.17 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.648 1.579 . . . . 0.0 113.867 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -67.02 -15.18 63.56 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 165.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -137.09 -48.86 0.61 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.881 1.272 . . . . 0.0 113.224 -169.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.0 m -80.52 -10.6 59.74 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -167.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.48 28.9 68.21 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 124.692 1.139 . . . . 0.0 114.931 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -121.88 117.64 29.7 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 125.6 1.56 . . . . 0.0 110.807 -170.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.26 -31.61 47.18 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 125.056 3.837 . . . . 0.0 116.95 -176.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.56 31.02 1.22 Allowed Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.746 1.641 . . . . 0.0 115.544 -176.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -101.45 165.22 11.37 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.026 1.33 . . . . 0.0 113.359 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.6 mt -153.36 170.78 19.83 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 128.447 2.699 . . . . 0.0 108.522 -176.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.7 m -58.15 -2.03 0.16 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.451 1.901 . . . . 0.0 115.833 170.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.7 p -127.69 -12.68 5.42 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.025 2.13 . . . . 0.0 114.107 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -74.04 -35.86 64.36 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.17 0.895 . . . . 0.0 111.0 172.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 m -136.97 -179.79 5.91 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 127.649 2.38 . . . . 0.0 109.904 166.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -35.26 59.25 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.232 1.013 . . . . 0.0 112.898 176.243 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.3 160.55 28.41 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 125.62 1.568 . . . . 0.0 112.029 169.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -72.5 174.97 10.78 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 122.881 2.387 . . . . 0.0 111.009 159.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -53.44 -15.78 1.19 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 127.065 2.146 . . . . 0.0 115.531 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.8 t -54.39 -35.03 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.841 1.657 . . . . 0.0 112.927 168.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.1 t -150.29 -153.32 0.48 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.06 1.344 . . . . 0.0 111.348 -170.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -143.0 -18.0 0.66 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.439 2.295 . . . . 0.0 112.959 170.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -156.8 -62.65 0.1 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.827 1.251 . . . . 0.0 113.146 -174.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -73.47 -31.35 63.72 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.503 1.521 . . . . 0.0 114.621 -168.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.252 37.9 pttt 42.11 27.88 0.09 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 128.772 2.829 . . . . 0.0 118.256 165.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -69.82 153.08 95.81 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 124.336 1.054 . . . . 0.0 112.344 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -52.71 -20.33 12.4 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 125.28 3.987 . . . . 0.0 119.754 -168.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.44 1.49 0.29 Allowed Glycine 0 N--CA 1.478 1.487 0 N-CA-C 116.478 1.351 . . . . 0.0 116.478 -178.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -63.95 -27.47 69.16 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -64.23 -39.97 95.07 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.365 1.066 . . . . 0.0 112.988 -165.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.4 m -63.41 -5.44 3.63 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -133.63 12.42 4.08 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.009 1.723 . . . . 0.0 113.847 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -150.06 -46.73 0.13 Allowed 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 84.0 m -113.85 -27.75 7.65 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.639 0.978 . . . . 0.0 113.639 -164.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -123.29 -1.46 8.67 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 127.346 2.258 . . . . 0.0 112.482 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 p . . . . . 0 C--O 1.252 1.204 0 C-N-CA 126.932 2.093 . . . . 0.0 114.072 174.844 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.499 ' N ' HE21 ' A' ' 22' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.274 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.0 m -51.89 136.86 27.65 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.346 1.458 . . . . 0.0 114.223 -170.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.2 t -57.28 151.58 15.66 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.859 1.664 . . . . 0.0 114.16 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -67.11 -15.26 63.6 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 165.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -134.54 -47.92 0.76 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.809 1.244 . . . . 0.0 113.07 -168.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.5 m -81.9 -9.68 59.52 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -167.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.1 34.01 71.57 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.547 1.07 . . . . 0.0 114.238 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -127.12 111.49 21.62 Favored Pre-proline 0 N--CA 1.474 0.75 0 C-N-CA 125.78 1.632 . . . . 0.0 110.658 -165.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -51.69 -32.47 45.4 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 124.98 3.786 . . . . 0.0 116.869 -176.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.69 34.18 1.2 Allowed Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.774 1.654 . . . . 0.0 115.34 -176.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.7 m80 -102.19 158.65 16.02 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.909 1.283 . . . . 0.0 113.525 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -153.33 169.35 23.31 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 128.981 2.912 . . . . 0.0 108.414 -172.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.9 m -56.74 -14.56 3.44 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 169.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.4 p -104.12 -8.47 19.44 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.657 1.983 . . . . 0.0 113.83 176.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -92.97 -41.45 10.0 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.562 1.145 . . . . 0.0 111.293 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.8 m -142.95 175.46 9.82 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 127.173 2.189 . . . . 0.0 110.703 168.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -36.33 60.72 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.022 1.329 . . . . 0.0 113.517 178.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.88 160.16 27.25 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 124.562 1.145 . . . . 0.0 112.922 173.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -73.18 173.22 14.04 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.845 2.363 . . . . 0.0 111.566 160.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -55.24 -12.64 1.03 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 127.35 2.26 . . . . 0.0 115.851 -177.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -56.32 -34.86 41.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 126.052 1.741 . . . . 0.0 112.724 167.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 t -149.63 -153.7 0.51 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.422 1.489 . . . . 0.0 111.062 -169.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -139.49 -17.98 0.99 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.985 2.114 . . . . 0.0 113.012 169.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -155.98 -59.28 0.1 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.315 1.046 . . . . 0.0 113.819 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.6 p -77.92 -29.68 50.2 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -168.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.8 pttm 43.14 26.65 0.09 Allowed 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 118.346 2.721 . . . . 0.0 118.346 165.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -68.17 152.7 96.3 Favored Pre-proline 0 CA--C 1.552 1.052 0 O-C-N 121.147 -0.971 . . . . 0.0 112.537 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -52.45 -18.84 8.78 Favored 'Trans proline' 0 CA--C 1.543 0.934 1 C-N-CA 125.545 4.164 . . . . 0.0 119.943 -167.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.75 1.6 0.27 Allowed Glycine 0 N--CA 1.477 1.403 0 N-CA-C 116.346 1.299 . . . . 0.0 116.346 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -64.16 -29.18 70.31 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.609 1.204 . . . . 0.0 113.939 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -63.29 -40.85 98.53 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.818 1.247 . . . . 0.0 112.672 -165.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.0 m -62.8 -4.8 2.29 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.27 1.428 . . . . 0.0 114.668 175.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -129.99 3.48 4.85 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.623 1.969 . . . . 0.0 113.014 -175.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -152.09 -64.44 0.17 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.111 0.964 . . . . 0.0 112.94 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 82.6 m -91.92 -16.43 26.64 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -164.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -144.83 15.47 1.56 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.056 1.742 . . . . 0.0 113.3 -171.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.9 m . . . . . 0 C--O 1.252 1.228 0 C-N-CA 127.669 2.388 . . . . 0.0 114.357 -178.972 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 . . . . . 0 N--CA 1.485 1.305 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.1 m -50.8 135.54 23.71 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.051 1.34 . . . . 0.0 113.724 -172.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.7 t -57.57 151.3 17.22 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.964 1.706 . . . . 0.0 114.308 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -66.76 -15.26 63.43 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 165.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -135.55 -47.73 0.69 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.776 1.23 . . . . 0.0 113.065 -169.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.0 m -83.19 -10.16 58.76 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -167.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.86 31.0 70.72 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 124.704 1.145 . . . . 0.0 114.821 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -125.53 117.77 24.77 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.71 1.604 . . . . 0.0 110.751 -169.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -52.11 -32.32 48.76 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 125.053 3.835 . . . . 0.0 116.906 -176.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.65 36.69 1.4 Allowed Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.684 1.611 . . . . 0.0 115.318 -175.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -105.86 153.57 21.76 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.818 1.247 . . . . 0.0 113.447 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.3 mt -155.89 173.88 16.13 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 129.509 3.123 . . . . 0.0 108.143 -175.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.0 m -54.07 -24.83 18.81 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 165.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.9 m -85.61 4.24 37.16 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.765 1.626 . . . . 0.0 113.946 175.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -124.59 -44.01 1.99 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.213 1.405 . . . . 0.0 111.902 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.8 m -143.15 174.58 10.57 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.69 1.996 . . . . 0.0 111.384 168.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -40.28 65.75 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.703 1.201 . . . . 0.0 113.037 177.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.49 159.1 30.95 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 124.645 1.178 . . . . 0.0 112.563 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -72.76 173.78 12.88 Favored 'Trans proline' 0 CA--C 1.544 1.001 0 C-N-CA 123.083 2.522 . . . . 0.0 111.575 161.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -54.6 -14.46 1.33 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.275 2.23 . . . . 0.0 115.602 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.0 t -53.54 -35.49 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.696 1.599 . . . . 0.0 112.684 167.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.5 t -150.23 -152.77 0.45 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.305 1.442 . . . . 0.0 111.154 -170.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -140.25 -20.34 0.86 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.973 2.109 . . . . 0.0 112.895 169.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -156.96 -57.52 0.09 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.496 1.119 . . . . 0.0 113.83 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.4 p -75.59 -30.16 59.52 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -169.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.3 pttt 42.43 27.04 0.07 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 128.676 2.79 . . . . 0.0 118.48 164.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -67.84 153.18 95.61 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 124.198 0.999 . . . . 0.0 112.529 177.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -51.74 -20.93 10.37 Favored 'Trans proline' 0 CA--C 1.542 0.923 1 C-N-CA 125.542 4.161 . . . . 0.0 119.842 -167.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.08 2.38 0.28 Allowed Glycine 0 N--CA 1.478 1.436 0 N-CA-C 116.337 1.295 . . . . 0.0 116.337 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -63.4 -29.79 71.02 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.585 1.192 . . . . 0.0 114.101 -177.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -62.3 -41.37 98.46 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.907 1.283 . . . . 0.0 113.101 -163.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.0 m -62.04 -8.76 5.78 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -127.22 7.57 6.52 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.652 1.981 . . . . 0.0 112.933 -176.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -149.38 -47.46 0.14 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.2 m -111.96 -24.38 9.98 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.15 0.98 . . . . 0.0 113.622 -164.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -125.75 11.59 7.85 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 127.965 2.506 . . . . 0.0 112.173 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.254 1.303 0 C-N-CA 127.573 2.349 . . . . 0.0 114.489 -177.786 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 . . . . . 0 N--CA 1.485 1.306 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 m -51.07 133.99 27.0 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.08 1.352 . . . . 0.0 113.832 -172.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.1 t -55.82 149.55 14.55 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.809 1.643 . . . . 0.0 114.147 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -63.03 -20.21 65.1 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 166.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -131.83 -48.73 0.95 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.087 1.355 . . . . 0.0 113.062 -169.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 m -81.38 -19.62 42.28 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -166.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.49 6.79 56.14 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.988 1.28 . . . . 0.0 115.779 -176.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.92 124.8 72.11 Favored Pre-proline 0 N--CA 1.48 1.048 0 CA-C-N 119.16 1.48 . . . . 0.0 110.587 176.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.88 -32.02 65.33 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 124.718 3.612 . . . . 0.0 115.998 174.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.24 36.42 1.75 Allowed Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.759 1.647 . . . . 0.0 115.209 -174.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -104.37 156.93 17.51 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 122.59 1.186 . . . . 0.0 113.472 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.2 mt -154.96 171.56 19.51 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 129.355 3.062 . . . . 0.0 108.208 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.8 m -56.67 -17.57 9.27 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.109 1.364 . . . . 0.0 114.607 169.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.3 p -96.21 -4.13 43.01 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.502 1.921 . . . . 0.0 113.934 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -106.68 -41.64 5.19 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.284 1.433 . . . . 0.0 111.146 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.2 m -143.72 174.45 10.79 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.585 2.354 . . . . 0.0 110.167 167.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -56.05 -31.96 63.62 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.819 1.247 . . . . 0.0 114.131 178.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.66 161.34 24.94 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 124.396 1.078 . . . . 0.0 113.427 170.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -71.51 169.6 20.54 Favored 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 123.013 2.475 . . . . 0.0 111.395 157.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -56.15 -16.68 5.56 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.449 1.9 . . . . 0.0 116.022 -173.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.37 -33.54 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.55 1.54 . . . . 0.0 112.529 169.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.9 t -148.92 -158.69 0.94 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.963 1.705 . . . . 0.0 110.945 -171.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -130.19 -17.88 3.37 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.143 2.177 . . . . 0.0 112.592 165.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -157.22 -61.68 0.09 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.705 1.202 . . . . 0.0 113.455 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.28 -32.61 74.12 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.815 1.646 . . . . 0.0 115.319 -169.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? 44.42 20.6 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 119.04 2.978 . . . . 0.0 119.04 170.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -65.26 151.66 93.48 Favored Pre-proline 0 CA--C 1.554 1.099 0 O-C-N 121.091 -1.006 . . . . 0.0 112.405 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -51.73 -23.84 16.54 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 125.19 3.926 . . . . 0.0 119.466 -166.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.28 4.06 0.58 Allowed Glycine 0 CA--C 1.536 1.385 0 N-CA-C 116.005 1.162 . . . . 0.0 116.005 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -64.2 -27.16 68.88 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -61.77 -41.73 98.08 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.954 0.902 . . . . 0.0 112.187 -169.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.6 m -60.38 -6.46 1.55 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -133.99 12.33 3.95 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.186 1.794 . . . . 0.0 114.035 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -150.34 -51.6 0.14 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 176.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.5 m -107.79 -3.33 19.15 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.926 1.29 . . . . 0.0 113.622 -168.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.8 tpp85 -152.64 19.37 0.62 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 127.195 2.198 . . . . 0.0 113.052 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.6 m . . . . . 0 C--O 1.251 1.16 0 C-N-CA 127.001 2.12 . . . . 0.0 114.088 -179.206 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 m -50.18 136.31 19.7 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.06 1.344 . . . . 0.0 113.717 -173.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.4 t -56.88 151.34 14.74 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.471 1.508 . . . . 0.0 114.193 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -66.78 -14.9 63.16 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 165.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -135.54 -47.79 0.69 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.909 1.284 . . . . 0.0 113.059 -169.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.6 m -82.88 -8.93 59.53 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -166.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.86 33.55 74.0 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.491 1.043 . . . . 0.0 114.493 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -127.47 111.29 21.03 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 125.821 1.648 . . . . 0.0 110.701 -166.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -50.63 -32.56 36.12 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 125.258 3.972 . . . . 0.0 117.046 -176.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.64 33.27 1.2 Allowed Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.773 1.654 . . . . 0.0 115.365 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -101.82 158.44 16.12 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.685 1.194 . . . . 0.0 113.436 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.5 mt -154.32 171.97 18.42 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 129.185 2.994 . . . . 0.0 108.248 -175.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.5 p -57.69 -18.13 19.08 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 167.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.8 p -93.0 -5.9 49.57 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.161 1.784 . . . . 0.0 114.085 173.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -104.72 -41.89 5.54 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.907 1.283 . . . . 0.0 111.562 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.4 m -142.55 174.82 10.29 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.045 2.138 . . . . 0.0 110.862 167.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -36.7 53.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.881 1.272 . . . . 0.0 113.41 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.19 159.47 28.91 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 124.866 1.267 . . . . 0.0 112.295 172.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -71.72 173.79 12.09 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.844 2.362 . . . . 0.0 111.178 159.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -54.58 -12.63 0.77 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 127.657 2.383 . . . . 0.0 115.619 -178.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.1 t -54.85 -37.28 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 126.3 1.84 . . . . 0.0 112.84 167.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.7 t -149.44 -157.24 0.8 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.589 1.555 . . . . 0.0 110.832 -170.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -137.85 -10.32 1.57 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.694 1.997 . . . . 0.0 112.865 168.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -158.65 -62.21 0.08 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.305 1.442 . . . . 0.0 112.624 -171.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -36.29 58.91 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.63 1.572 . . . . 0.0 113.671 -164.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.7 pttm 44.08 24.16 0.07 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 128.251 2.62 . . . . 0.0 117.686 171.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -70.23 150.77 95.97 Favored Pre-proline 0 CA--C 1.551 0.991 0 O-C-N 121.156 -0.965 . . . . 0.0 112.061 176.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_exo -52.46 -18.83 8.79 Favored 'Trans proline' 0 CA--C 1.543 0.93 1 C-N-CA 125.559 4.172 . . . . 0.0 119.906 -167.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -155.14 7.39 0.3 Allowed Glycine 0 CA--C 1.535 1.302 0 N-CA-C 116.246 1.258 . . . . 0.0 116.246 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -67.51 -30.81 70.58 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 118.863 1.331 . . . . 0.0 113.832 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -62.03 -41.78 98.47 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.237 1.415 . . . . 0.0 113.41 -163.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.1 m -63.97 -4.84 3.71 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -128.5 8.43 5.91 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.124 1.769 . . . . 0.0 113.331 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -150.9 -57.97 0.17 Allowed 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 67.2 m -101.43 -15.48 17.17 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -164.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.77 15.72 1.77 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.217 1.807 . . . . 0.0 113.041 -173.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 C--O 1.253 1.273 0 C-N-CA 127.689 2.395 . . . . 0.0 114.396 -179.156 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 110.532 -0.173 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.9 m -51.33 137.72 22.63 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.639 1.575 . . . . 0.0 114.611 -168.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.9 t -57.54 151.35 17.03 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.978 1.711 . . . . 0.0 114.293 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -67.61 -13.89 62.47 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 165.221 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -135.05 -48.32 0.73 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.84 1.256 . . . . 0.0 113.103 -169.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.7 m -81.81 -9.82 59.51 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -166.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.3 33.45 70.63 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.377 0.989 . . . . 0.0 114.337 -178.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -126.8 112.27 22.35 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 125.85 1.66 . . . . 0.0 110.458 -166.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -51.61 -31.75 41.57 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 124.931 3.754 . . . . 0.0 116.757 -177.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.5 38.92 1.23 Allowed Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.94 1.733 . . . . 0.0 115.234 -176.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -109.87 157.2 19.47 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.171 1.388 . . . . 0.0 113.574 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.4 mt -155.8 172.45 18.31 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 129.348 3.059 . . . . 0.0 108.476 -175.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.6 m -55.01 -18.4 5.1 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.424 1.489 . . . . 0.0 114.85 169.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.3 p -97.26 -6.3 34.82 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.506 1.922 . . . . 0.0 114.037 176.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -102.11 -40.84 6.64 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.735 1.214 . . . . 0.0 111.705 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.1 m -143.19 174.87 10.33 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.863 2.065 . . . . 0.0 111.069 167.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.42 -35.56 52.29 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.021 1.328 . . . . 0.0 113.49 178.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.49 159.79 28.18 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 124.424 1.089 . . . . 0.0 113.064 171.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -72.39 170.21 19.82 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.909 2.406 . . . . 0.0 111.306 158.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -53.06 -20.23 3.44 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.942 2.097 . . . . 0.0 115.495 -176.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.1 t -51.54 -32.49 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 126.317 1.847 . . . . 0.0 112.934 170.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 t -149.35 -156.78 0.75 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.056 1.743 . . . . 0.0 110.911 -171.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -136.76 -19.91 1.33 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.177 2.191 . . . . 0.0 113.02 169.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -156.0 -56.6 0.09 Allowed 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.25 -32.35 62.92 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -170.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 pttm 43.19 24.88 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 118.724 2.861 . . . . 0.0 118.724 165.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -67.76 152.52 96.26 Favored Pre-proline 0 CA--C 1.553 1.07 0 O-C-N 121.024 -1.048 . . . . 0.0 112.446 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -52.35 -20.31 11.25 Favored 'Trans proline' 0 CA--C 1.543 0.965 1 C-N-CA 125.371 4.047 . . . . 0.0 119.56 -168.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.4 2.39 0.4 Allowed Glycine 0 CA--C 1.535 1.317 0 N-CA-C 116.277 1.271 . . . . 0.0 116.277 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -62.93 -29.92 71.16 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.693 1.247 . . . . 0.0 113.848 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -61.85 -40.36 95.06 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.335 1.054 . . . . 0.0 112.187 -168.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.7 m -59.43 -7.53 1.41 Allowed 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 176.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -135.21 14.6 3.52 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.087 1.755 . . . . 0.0 114.072 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -149.66 -54.12 0.16 Allowed 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 175.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 67.9 m -106.13 -3.76 21.09 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.971 1.309 . . . . 0.0 113.655 -168.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -153.19 20.38 0.57 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 127.124 2.169 . . . . 0.0 113.011 -176.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.253 1.261 0 C-N-CA 127.103 2.161 . . . . 0.0 114.214 -179.429 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.0 m -50.63 136.84 20.79 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.736 1.215 . . . . 0.0 113.417 -174.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.5 t -57.61 151.11 17.77 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.429 1.492 . . . . 0.0 114.055 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -66.38 -14.8 62.65 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 165.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -136.08 -47.97 0.66 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.839 1.256 . . . . 0.0 113.141 -169.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.7 m -82.78 -9.08 59.51 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -166.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.02 33.28 73.52 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.458 1.028 . . . . 0.0 114.479 -178.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -126.53 112.35 23.02 Favored Pre-proline 0 CA--C 1.545 0.762 0 C-N-CA 125.86 1.664 . . . . 0.0 110.646 -166.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -51.39 -32.84 43.95 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 125.098 3.865 . . . . 0.0 116.937 -177.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.14 32.8 1.31 Allowed Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.744 1.64 . . . . 0.0 115.418 -176.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -100.53 157.67 16.49 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.742 1.217 . . . . 0.0 113.389 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.3 mt -154.55 171.56 19.22 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 128.824 2.85 . . . . 0.0 108.628 -173.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.7 m -55.29 -13.5 1.38 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.075 1.75 . . . . 0.0 115.523 171.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.8 p -108.84 -8.26 15.34 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.58 1.952 . . . . 0.0 113.747 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -92.55 -39.05 11.57 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.644 1.178 . . . . 0.0 111.278 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.1 m -142.79 176.09 9.32 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.182 2.193 . . . . 0.0 110.766 166.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -35.7 61.29 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.638 1.175 . . . . 0.0 113.295 176.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.81 159.93 27.43 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 124.759 1.224 . . . . 0.0 112.964 172.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.84 173.9 12.74 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 123.07 2.513 . . . . 0.0 111.46 159.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -53.96 -13.47 0.78 Allowed 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 128.019 2.528 . . . . 0.0 115.776 -178.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.1 -35.55 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 126.008 1.723 . . . . 0.0 112.723 167.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.4 t -150.04 -154.17 0.54 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 125.384 1.474 . . . . 0.0 111.181 -168.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -137.22 -20.9 1.21 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.621 1.968 . . . . 0.0 112.969 169.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -157.15 -55.23 0.08 Allowed 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.38 -31.25 62.3 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -170.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 pttm 42.82 26.78 0.08 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 128.473 2.709 . . . . 0.0 118.303 166.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -67.61 151.73 96.91 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 124.002 0.921 . . . . 0.0 112.357 177.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -51.8 -20.9 10.54 Favored 'Trans proline' 0 C--N 1.354 0.868 1 C-N-CA 125.496 4.131 . . . . 0.0 119.806 -167.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.47 8.72 0.38 Allowed Glycine 0 N--CA 1.475 1.293 0 N-CA-C 116.143 1.217 . . . . 0.0 116.143 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -68.01 -31.35 70.97 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.745 1.273 . . . . 0.0 113.723 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -62.16 -40.25 95.37 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.191 1.396 . . . . 0.0 113.273 -163.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.7 m -63.47 -6.14 4.63 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -128.09 8.08 6.1 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.183 1.793 . . . . 0.0 113.231 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -149.71 -65.88 0.21 Allowed 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.009 0.822 . . . . 0.0 112.923 177.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 73.5 m -91.09 -16.8 27.24 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -165.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.14 15.96 1.89 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.999 1.719 . . . . 0.0 113.326 -172.033 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.252 1.233 0 C-N-CA 127.474 2.309 . . . . 0.0 114.361 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.4 m -50.46 135.11 22.92 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.853 1.261 . . . . 0.0 113.61 -172.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.0 t -56.93 151.13 15.29 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.59 1.556 . . . . 0.0 114.445 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -66.41 -16.1 63.82 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 165.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -136.19 -47.65 0.65 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.844 1.258 . . . . 0.0 113.046 -168.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 54.0 m -82.4 -9.82 59.3 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -167.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.51 31.53 70.83 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.751 1.167 . . . . 0.0 114.676 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -125.58 115.97 24.94 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 125.779 1.631 . . . . 0.0 110.723 -167.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -51.82 -33.07 49.16 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 125.084 3.856 . . . . 0.0 116.891 -177.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.24 36.85 1.32 Allowed Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.937 1.732 . . . . 0.0 115.345 -175.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -106.63 156.35 18.7 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.902 1.281 . . . . 0.0 113.253 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.0 mt -155.43 173.66 16.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 129.434 3.094 . . . . 0.0 108.121 -176.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.1 p -57.85 -19.76 31.41 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 167.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.5 p -87.85 -3.44 58.94 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.184 1.794 . . . . 0.0 114.229 172.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -114.26 -40.35 3.69 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.307 1.443 . . . . 0.0 111.797 -175.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.4 m -143.58 172.44 12.8 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.882 2.073 . . . . 0.0 110.767 168.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.89 -34.72 60.3 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.321 1.448 . . . . 0.0 113.78 176.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.81 160.26 27.39 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 124.802 1.241 . . . . 0.0 112.526 171.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -73.44 175.3 10.82 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 123.053 2.502 . . . . 0.0 111.399 159.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -53.27 -14.47 0.72 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 127.84 2.456 . . . . 0.0 115.66 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.1 t -55.1 -36.2 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.844 1.658 . . . . 0.0 112.722 167.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 t -149.77 -154.02 0.53 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.47 1.508 . . . . 0.0 111.056 -169.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -139.1 -18.55 1.01 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.91 2.084 . . . . 0.0 113.054 169.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -156.61 -58.98 0.09 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.366 1.067 . . . . 0.0 113.798 -177.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -76.1 -30.04 58.13 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -169.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 pttm 43.27 26.52 0.1 Allowed 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 118.187 2.662 . . . . 0.0 118.187 166.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -68.24 152.93 96.18 Favored Pre-proline 0 CA--C 1.551 0.993 0 O-C-N 121.126 -0.984 . . . . 0.0 112.592 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -52.4 -19.79 10.4 Favored 'Trans proline' 0 CA--C 1.542 0.906 1 C-N-CA 125.495 4.13 . . . . 0.0 119.934 -167.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.1 2.1 0.27 Allowed Glycine 0 CA--C 1.537 1.437 0 N-CA-C 116.318 1.287 . . . . 0.0 116.318 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -64.23 -27.67 69.22 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.553 1.177 . . . . 0.0 114.146 -177.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -63.78 -41.74 97.88 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.586 1.155 . . . . 0.0 112.628 -167.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.9 m -63.88 -5.07 3.83 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -134.17 11.3 3.87 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.119 1.767 . . . . 0.0 113.967 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -149.66 -66.98 0.21 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.733 0.813 . . . . 0.0 112.51 175.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 80.6 m -90.21 -16.28 29.74 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -166.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.85 15.77 1.76 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.005 1.722 . . . . 0.0 113.326 -171.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.251 1.176 0 C-N-CA 127.625 2.37 . . . . 0.0 114.282 -179.536 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.518 ' N ' HE21 ' A' ' 22' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 85.1 m -120.21 144.26 47.82 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.127 1.771 . . . . 0.0 109.511 -177.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.8 t -64.3 149.76 47.48 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -172.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -70.27 -17.16 63.1 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 165.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -137.47 -49.44 0.6 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.519 1.128 . . . . 0.0 113.288 -166.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.8 m -72.4 -22.02 61.18 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.655 1.182 . . . . 0.0 113.067 -174.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.63 5.6 45.59 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 125.169 1.366 . . . . 0.0 114.941 -172.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.9 150.13 49.51 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.338 1.455 . . . . 0.0 111.923 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.97 -169.23 0.43 Allowed 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 124.077 3.185 . . . . 0.0 110.729 161.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.1 29.31 72.43 Favored Glycine 0 CA--C 1.535 1.301 0 O-C-N 120.869 -1.144 . . . . 0.0 113.607 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -113.18 144.94 41.82 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.269 1.428 . . . . 0.0 112.026 -173.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.1 mt -155.94 173.49 16.7 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 128.481 2.712 . . . . 0.0 108.789 -171.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 m -54.46 -20.29 7.31 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.52 1.528 . . . . 0.0 114.607 168.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.1 p -93.3 -4.1 52.35 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.493 1.917 . . . . 0.0 114.208 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -109.59 -41.65 4.51 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.338 1.455 . . . . 0.0 111.389 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.3 m -143.24 170.86 14.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.406 2.282 . . . . 0.0 110.564 174.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -56.15 -31.6 63.51 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.805 1.242 . . . . 0.0 113.849 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.84 160.85 29.08 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.122 1.369 . . . . 0.0 111.827 166.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -72.39 174.6 11.29 Favored 'Trans proline' 0 CA--C 1.547 1.139 0 C-N-CA 122.766 2.311 . . . . 0.0 111.413 159.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -53.7 -13.12 0.61 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 127.676 2.39 . . . . 0.0 115.953 -178.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -55.78 -36.41 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 126.009 1.724 . . . . 0.0 112.74 167.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.4 t -149.73 -152.22 0.43 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.519 1.528 . . . . 0.0 110.92 -169.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -139.46 -21.65 0.91 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.75 2.02 . . . . 0.0 113.006 169.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -156.08 -55.99 0.09 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.2 p -76.25 -31.14 58.17 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -170.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.5 pttm 42.67 27.2 0.09 Allowed 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 118.453 2.76 . . . . 0.0 118.453 165.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -68.12 153.23 95.71 Favored Pre-proline 0 CA--C 1.553 1.076 0 O-C-N 121.116 -0.99 . . . . 0.0 112.546 177.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -52.34 -19.29 9.29 Favored 'Trans proline' 0 CA--C 1.544 0.993 1 C-N-CA 125.555 4.17 . . . . 0.0 119.983 -167.446 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.7 1.09 0.26 Allowed Glycine 0 CA--C 1.536 1.37 0 N-CA-C 116.325 1.29 . . . . 0.0 116.325 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -63.54 -28.0 69.65 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 118.663 1.231 . . . . 0.0 113.956 -177.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -62.42 -41.36 98.64 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.498 1.119 . . . . 0.0 112.221 -170.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.3 m -63.99 -3.75 2.83 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.501 1.52 . . . . 0.0 114.976 176.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -135.11 9.63 3.51 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.907 1.683 . . . . 0.0 114.348 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -150.52 -59.14 0.18 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 79.6 m -100.26 -17.69 17.2 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -165.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.32 3.79 1.96 Allowed 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 126.17 1.788 . . . . 0.0 113.398 -176.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 C--O 1.252 1.195 0 C-N-CA 127.172 2.189 . . . . 0.0 114.021 174.395 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.735 ' N ' HE21 ' A' ' 22' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.9 m -51.04 132.96 27.85 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.341 1.457 . . . . 0.0 114.241 -170.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.3 t -53.58 147.28 11.43 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.441 1.497 . . . . 0.0 113.973 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.41 -15.21 60.15 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 167.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -140.2 -40.54 0.43 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -172.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.9 m -75.54 -15.9 60.33 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -177.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.87 32.39 74.76 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.238 0.923 . . . . 0.0 114.339 -175.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -123.28 114.78 28.97 Favored Pre-proline 0 N--CA 1.475 0.806 0 C-N-CA 125.804 1.642 . . . . 0.0 110.948 -167.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 99.6 Cg_exo -51.29 -34.18 48.48 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 125.239 3.96 . . . . 0.0 117.112 -175.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.0 31.47 1.31 Allowed Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.623 1.582 . . . . 0.0 115.509 -175.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -98.46 156.3 16.83 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 122.514 1.149 . . . . 0.0 113.504 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.2 mt -153.86 172.3 17.59 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 128.757 2.823 . . . . 0.0 108.735 -173.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.2 m -54.45 -12.58 0.72 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.623 1.969 . . . . 0.0 116.042 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.0 m -120.27 2.27 10.83 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.841 1.657 . . . . 0.0 113.377 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -93.28 -42.43 9.33 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.282 1.033 . . . . 0.0 110.803 174.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.1 m -142.06 178.13 7.74 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.568 2.347 . . . . 0.0 109.997 164.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -36.72 63.58 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.579 1.152 . . . . 0.0 113.465 178.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.73 160.49 25.4 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 124.587 1.155 . . . . 0.0 113.303 173.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -71.89 169.48 21.14 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 122.959 2.44 . . . . 0.0 111.186 158.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -59.49 -4.75 0.66 Allowed 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 116.693 2.108 . . . . 0.0 116.693 -177.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.4 t -56.52 -34.6 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.317 1.447 . . . . 0.0 111.999 163.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 t -148.83 -155.55 0.64 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.878 1.671 . . . . 0.0 111.018 -170.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -135.58 -19.82 1.61 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.563 1.945 . . . . 0.0 112.992 168.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -157.16 -55.45 0.08 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.52 -30.37 61.76 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -170.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.2 pttm 42.74 26.63 0.07 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 118.468 2.766 . . . . 0.0 118.468 166.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -67.73 152.09 96.61 Favored Pre-proline 0 CA--C 1.552 1.038 0 O-C-N 121.149 -0.969 . . . . 0.0 112.449 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -51.75 -20.71 10.03 Favored 'Trans proline' 0 C--N 1.356 0.936 1 C-N-CA 125.493 4.129 . . . . 0.0 119.901 -167.248 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.25 4.09 0.33 Allowed Glycine 0 N--CA 1.478 1.448 0 N-CA-C 116.299 1.28 . . . . 0.0 116.299 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -65.43 -30.13 70.9 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.767 1.284 . . . . 0.0 113.951 -177.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -61.82 -39.29 91.26 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.026 1.33 . . . . 0.0 113.103 -164.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.2 m -62.93 -5.53 2.99 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.188 1.395 . . . . 0.0 114.725 176.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -126.6 3.67 6.82 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.221 1.809 . . . . 0.0 113.434 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -150.47 -63.56 0.2 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.657 0.783 . . . . 0.0 112.94 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 66.6 m -91.62 -17.54 25.4 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -165.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.99 15.58 1.91 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.077 1.751 . . . . 0.0 113.292 -171.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--O 1.253 1.24 0 C-N-CA 127.537 2.335 . . . . 0.0 114.32 -179.865 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 . . . . . 0 N--CA 1.485 1.317 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 m -51.31 135.32 26.87 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.077 1.351 . . . . 0.0 113.921 -171.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.9 t -55.53 151.28 10.72 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.872 1.669 . . . . 0.0 114.065 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -65.57 -15.8 63.07 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 165.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -136.07 -49.75 0.69 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.895 1.278 . . . . 0.0 113.145 -168.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.3 m -81.16 -19.28 43.76 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -166.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.12 5.75 54.53 Favored Glycine 0 CA--C 1.541 1.668 0 C-N-CA 125.026 1.298 . . . . 0.0 115.866 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.31 123.6 74.83 Favored Pre-proline 0 N--CA 1.479 1.024 0 CA-C-N 119.196 1.498 . . . . 0.0 110.682 176.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -53.9 -31.78 64.47 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 124.725 3.617 . . . . 0.0 115.874 174.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.45 32.68 1.6 Allowed Glycine 0 CA--C 1.535 1.341 0 C-N-CA 125.775 1.655 . . . . 0.0 115.313 -175.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -96.9 156.25 16.43 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 122.538 1.161 . . . . 0.0 113.41 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.7 mt -153.12 170.5 20.36 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 128.797 2.839 . . . . 0.0 108.624 -173.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.2 m -55.71 -12.99 1.44 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.206 1.802 . . . . 0.0 115.689 173.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.7 p -111.48 -8.95 14.24 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.434 1.894 . . . . 0.0 113.769 177.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -86.74 -41.55 14.04 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.413 1.085 . . . . 0.0 110.861 176.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.9 m -144.3 175.29 10.2 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.849 2.459 . . . . 0.0 110.108 168.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -55.88 -33.68 64.8 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.099 1.36 . . . . 0.0 113.941 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.71 161.02 25.36 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 124.365 1.066 . . . . 0.0 113.325 172.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -73.16 174.2 12.43 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 123.247 2.632 . . . . 0.0 111.647 158.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -55.62 -10.42 0.68 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 127.134 2.173 . . . . 0.0 115.802 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.8 t -56.67 -36.06 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.686 1.594 . . . . 0.0 112.344 166.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.2 t -149.31 -152.8 0.46 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.511 1.524 . . . . 0.0 111.051 -169.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -137.91 -22.06 1.08 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.744 2.017 . . . . 0.0 112.852 169.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -157.27 -53.9 0.08 Allowed 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.09 -31.45 62.83 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -170.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 pttm 42.84 25.89 0.06 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 118.509 2.781 . . . . 0.0 118.509 166.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -67.22 152.56 95.98 Favored Pre-proline 0 CA--C 1.551 1.017 0 O-C-N 121.17 -0.956 . . . . 0.0 112.45 177.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -52.23 -19.13 8.67 Favored 'Trans proline' 0 CA--C 1.544 0.993 1 C-N-CA 125.578 4.185 . . . . 0.0 120.009 -167.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.64 -0.01 0.24 Allowed Glycine 0 CA--C 1.538 1.492 0 N-CA-C 116.28 1.272 . . . . 0.0 116.28 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -62.77 -29.2 70.52 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.691 1.246 . . . . 0.0 114.082 -177.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -61.53 -41.75 97.81 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.042 1.337 . . . . 0.0 112.494 -167.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.5 m -62.02 -5.74 2.41 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.229 1.412 . . . . 0.0 114.725 175.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -128.1 2.2 5.85 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.69 1.996 . . . . 0.0 113.444 -176.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -151.29 -56.2 0.15 Allowed 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 82.0 m -101.3 -18.65 16.0 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -165.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -139.4 4.3 2.18 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.702 2.001 . . . . 0.0 112.963 -176.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.2 p . . . . . 0 C--O 1.254 1.327 0 C-N-CA 127.29 2.236 . . . . 0.0 113.935 174.462 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 91.0 m -125.29 142.87 51.25 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.007 1.723 . . . . 0.0 109.722 -176.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 t -63.65 149.25 46.94 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 -172.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -67.42 -22.3 65.53 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 166.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -139.71 -39.75 0.46 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -167.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.4 m -69.52 -22.37 63.59 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.079 0.952 . . . . 0.0 113.056 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.5 2.27 20.16 Favored Glycine 0 CA--C 1.542 1.72 0 C-N-CA 125.267 1.413 . . . . 0.0 114.864 -170.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -83.67 146.22 49.28 Favored Pre-proline 0 N--CA 1.472 0.651 0 C-N-CA 125.63 1.572 . . . . 0.0 112.345 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -70.23 -171.1 0.47 Allowed 'Trans proline' 0 CA--C 1.545 1.047 0 C-N-CA 123.739 2.959 . . . . 0.0 111.015 161.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.07 29.77 73.69 Favored Glycine 0 CA--C 1.535 1.283 0 O-C-N 120.848 -1.157 . . . . 0.0 113.538 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -113.81 146.16 40.37 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 125.256 1.423 . . . . 0.0 112.145 -173.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.1 mt -155.56 173.38 16.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 128.429 2.691 . . . . 0.0 108.932 -171.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.8 m -54.95 -20.27 8.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.45 1.5 . . . . 0.0 114.624 168.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.7 p -92.74 -5.4 51.32 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.412 1.885 . . . . 0.0 114.126 175.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -107.36 -41.55 5.06 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.252 1.421 . . . . 0.0 111.294 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.7 m -143.8 171.32 14.38 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.452 2.301 . . . . 0.0 110.674 174.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -55.03 -32.21 61.67 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.949 1.299 . . . . 0.0 113.879 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.72 160.0 29.44 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 124.779 1.232 . . . . 0.0 111.956 167.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -72.38 173.85 12.48 Favored 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 122.794 2.329 . . . . 0.0 111.233 158.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -55.35 -12.07 0.96 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 127.112 2.165 . . . . 0.0 115.918 -176.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.1 t -55.31 -36.2 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.826 1.65 . . . . 0.0 112.703 167.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.5 t -150.26 -153.97 0.52 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.376 1.47 . . . . 0.0 111.271 -169.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -138.49 -19.2 1.08 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.853 2.061 . . . . 0.0 112.975 169.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -155.38 -59.01 0.1 Allowed 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -176.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.9 p -79.29 -28.74 42.27 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -169.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.4 pttm 42.87 28.56 0.14 Allowed 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 118.126 2.639 . . . . 0.0 118.126 164.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -67.93 152.18 96.59 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 123.949 0.9 . . . . 0.0 112.385 177.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -51.99 -21.8 13.07 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 125.289 3.993 . . . . 0.0 119.696 -167.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.71 8.59 0.45 Allowed Glycine 0 N--CA 1.477 1.367 0 N-CA-C 116.024 1.17 . . . . 0.0 116.024 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -67.66 -30.77 70.41 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.707 1.253 . . . . 0.0 113.658 -178.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -62.62 -40.64 97.61 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.873 1.269 . . . . 0.0 113.34 -161.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.7 m -63.31 -5.25 3.24 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 176.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -128.03 7.79 6.1 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.273 1.829 . . . . 0.0 113.282 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -150.2 -62.86 0.21 Allowed 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.155 0.889 . . . . 0.0 113.197 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 85.0 m -95.35 -15.87 22.78 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 -165.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.0 15.49 1.91 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.127 1.771 . . . . 0.0 113.259 -172.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.255 1.385 0 C-N-CA 127.632 2.373 . . . . 0.0 114.382 -179.575 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.713 0.292 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 93.8 m -123.4 145.55 48.69 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.652 1.981 . . . . 0.0 109.427 -175.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 t -64.74 150.67 46.9 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -175.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -70.35 -18.14 63.07 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 165.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -140.7 -43.63 0.4 Allowed 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -166.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.0 m -69.2 -21.49 63.95 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.134 0.973 . . . . 0.0 113.474 -177.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.87 23.7 71.09 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 124.225 0.917 . . . . 0.0 113.953 -172.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -111.73 146.83 35.53 Favored Pre-proline 0 N--CA 1.475 0.812 0 C-N-CA 125.829 1.652 . . . . 0.0 111.936 -174.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -72.28 -168.98 0.42 Allowed 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 123.968 3.112 . . . . 0.0 110.638 163.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 61.47 29.33 71.39 Favored Glycine 0 CA--C 1.535 1.285 0 O-C-N 120.925 -1.11 . . . . 0.0 113.136 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -115.65 150.94 35.93 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.358 1.463 . . . . 0.0 111.681 -173.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.3 mt -153.78 171.2 19.27 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.921 2.488 . . . . 0.0 108.844 -173.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 m -57.01 -3.46 0.12 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.303 2.241 . . . . 0.0 115.886 171.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.0 p -122.25 -13.22 8.15 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.009 2.124 . . . . 0.0 113.662 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -78.13 -39.46 41.15 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.02 0.928 . . . . 0.0 110.644 170.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.9 m -139.88 174.37 10.58 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.629 2.372 . . . . 0.0 110.263 173.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -34.07 57.22 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.539 1.135 . . . . 0.0 113.236 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.94 160.02 30.11 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.661 1.584 . . . . 0.0 111.075 167.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.18 175.71 9.53 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 122.61 2.207 . . . . 0.0 111.287 159.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -53.1 -14.45 0.64 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 127.483 2.313 . . . . 0.0 115.602 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.9 t -54.13 -37.12 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.14 1.776 . . . . 0.0 112.955 167.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.6 t -149.61 -152.28 0.43 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.436 1.494 . . . . 0.0 111.083 -169.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -141.51 -23.35 0.73 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.85 2.06 . . . . 0.0 112.972 170.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -155.28 -54.69 0.09 Allowed 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.201 1.185 . . . . 0.0 114.201 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.1 p -76.86 -30.02 56.1 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -170.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.0 pttm 43.6 26.75 0.13 Allowed 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 118.359 2.725 . . . . 0.0 118.359 164.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -68.42 152.71 96.42 Favored Pre-proline 0 CA--C 1.552 1.033 0 O-C-N 121.151 -0.968 . . . . 0.0 112.576 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -52.48 -19.57 10.23 Favored 'Trans proline' 0 CA--C 1.544 1.0 1 C-N-CA 125.553 4.168 . . . . 0.0 119.901 -167.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.66 1.63 0.28 Allowed Glycine 0 N--CA 1.478 1.442 0 N-CA-C 116.317 1.287 . . . . 0.0 116.317 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -63.51 -28.52 70.01 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.611 1.206 . . . . 0.0 114.213 -177.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -61.4 -42.74 99.21 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.85 1.26 . . . . 0.0 112.596 -170.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.5 m -64.47 -6.09 6.65 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -129.98 7.07 5.08 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.959 1.704 . . . . 0.0 113.795 176.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -147.18 -88.18 0.09 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.655 1.182 . . . . 0.0 110.871 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.1 m -69.41 -18.49 63.76 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -166.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.89 13.74 2.68 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.959 1.704 . . . . 0.0 113.158 -174.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--O 1.254 1.338 0 C-N-CA 126.791 2.037 . . . . 0.0 112.832 178.137 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.6 m -51.63 134.08 30.18 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.244 1.418 . . . . 0.0 114.102 -171.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.0 t -54.51 151.53 7.75 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.996 1.718 . . . . 0.0 114.104 178.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -61.7 -23.68 66.27 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 166.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -131.57 -47.06 0.97 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.094 1.358 . . . . 0.0 113.272 -168.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.3 m -77.59 -10.1 59.31 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -167.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.98 33.15 72.69 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.64 1.114 . . . . 0.0 114.179 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -126.25 112.64 23.7 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 125.761 1.624 . . . . 0.0 110.579 -166.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -51.99 -32.88 50.05 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 124.867 3.711 . . . . 0.0 116.632 -176.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.64 32.59 1.2 Allowed Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.747 1.642 . . . . 0.0 115.472 -176.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -100.25 158.22 16.03 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.698 1.237 . . . . 0.0 113.366 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -152.1 169.71 21.73 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 129.686 3.194 . . . . 0.0 107.58 -177.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 m -57.71 -11.84 2.48 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 172.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.2 p -102.8 -10.97 18.66 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.64 1.976 . . . . 0.0 113.966 175.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -90.57 -43.91 9.9 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.936 1.294 . . . . 0.0 110.856 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 55.7 m -140.73 168.72 19.13 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.221 2.609 . . . . 0.0 108.297 162.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -27.8 52.42 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -177.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.33 153.06 19.19 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 124.563 1.145 . . . . 0.0 112.784 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.0 173.18 14.92 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 123.752 2.968 . . . . 0.0 111.674 163.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -57.02 -15.06 4.31 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 -176.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.2 t -52.38 -32.46 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 125.652 1.581 . . . . 0.0 112.451 168.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.1 t -146.64 -159.99 1.1 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.248 1.819 . . . . 0.0 110.79 -173.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -137.24 -7.13 1.78 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.215 2.206 . . . . 0.0 113.074 168.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -162.98 -61.45 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.087 1.355 . . . . 0.0 113.267 -178.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.75 -33.91 66.67 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.391 1.876 . . . . 0.0 114.981 -167.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.8 pttm 44.05 22.84 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 128.499 2.72 . . . . 0.0 118.209 169.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -67.82 151.99 96.72 Favored Pre-proline 0 CA--C 1.552 1.022 0 O-C-N 121.091 -1.005 . . . . 0.0 112.153 177.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -51.45 -23.91 15.33 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 125.246 3.964 . . . . 0.0 119.492 -166.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.49 5.94 0.55 Allowed Glycine 0 N--CA 1.476 1.347 0 N-CA-C 115.942 1.137 . . . . 0.0 115.942 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -64.05 -30.64 71.7 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.602 1.201 . . . . 0.0 113.827 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -61.02 -41.99 97.6 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.685 1.194 . . . . 0.0 112.619 -167.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.5 m -60.72 -5.96 1.51 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 175.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.12 6.61 5.95 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.815 2.046 . . . . 0.0 113.134 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -151.21 -55.46 0.15 Allowed 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 60.3 m -100.82 -4.47 27.89 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.246 1.418 . . . . 0.0 113.769 -168.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -152.09 18.96 0.67 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.017 2.127 . . . . 0.0 113.139 -175.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.3 m . . . . . 0 C--O 1.254 1.313 0 C-N-CA 126.868 2.067 . . . . 0.0 114.116 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.655 ' N ' HE21 ' A' ' 22' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 m -52.37 135.31 33.32 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.014 1.325 . . . . 0.0 113.96 -170.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.9 t -56.24 147.09 21.66 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.177 1.391 . . . . 0.0 113.814 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -13.88 56.2 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 166.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -134.79 -50.24 0.77 Allowed 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.975 1.31 . . . . 0.0 113.015 -171.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.0 m -80.98 -20.0 42.83 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -167.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.35 5.78 55.81 Favored Glycine 0 CA--C 1.542 1.743 0 C-N-CA 125.062 1.315 . . . . 0.0 116.025 -177.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.13 121.67 77.22 Favored Pre-proline 0 N--CA 1.481 1.083 0 CA-C-N 119.2 1.5 . . . . 0.0 110.77 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -54.25 -32.71 72.31 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 124.481 3.454 . . . . 0.0 115.946 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.01 20.32 3.07 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.571 1.558 . . . . 0.0 115.573 -176.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -79.74 161.94 25.45 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 122.536 1.16 . . . . 0.0 113.42 173.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -150.34 171.25 17.28 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 128.266 2.626 . . . . 0.0 109.054 -174.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.1 t -55.07 -15.4 2.1 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.029 1.731 . . . . 0.0 115.159 174.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.0 p -117.47 -8.04 11.05 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.601 1.961 . . . . 0.0 114.334 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -77.56 -40.12 43.52 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.016 0.826 . . . . 0.0 111.149 176.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.1 m -140.04 178.56 7.18 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.988 2.515 . . . . 0.0 109.39 164.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.96 -38.83 62.47 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.268 1.027 . . . . 0.0 113.26 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.53 160.18 29.54 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 124.998 1.319 . . . . 0.0 112.529 173.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -71.56 170.63 18.08 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 122.933 2.422 . . . . 0.0 111.119 159.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -58.57 -6.08 0.66 Allowed 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 116.668 2.099 . . . . 0.0 116.668 -177.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.4 t -56.91 -35.07 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.306 1.443 . . . . 0.0 112.129 164.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.0 t -147.88 -154.46 0.55 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.787 1.635 . . . . 0.0 110.862 -172.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -139.84 -19.72 0.91 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.904 2.082 . . . . 0.0 112.831 169.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -158.0 -55.34 0.07 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.555 1.142 . . . . 0.0 113.711 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -33.12 68.68 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.25 1.42 . . . . 0.0 114.739 -170.247 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.3 pttt 42.89 26.25 0.07 Allowed 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 128.588 2.755 . . . . 0.0 118.375 167.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -70.16 152.62 95.69 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 124.105 0.962 . . . . 0.0 112.324 176.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.01 -19.44 11.54 Favored 'Trans proline' 0 C--N 1.356 0.949 1 C-N-CA 125.332 4.021 . . . . 0.0 119.786 -168.481 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.86 0.78 0.24 Allowed Glycine 0 N--CA 1.478 1.453 0 N-CA-C 116.352 1.301 . . . . 0.0 116.352 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -63.29 -28.51 70.07 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.631 1.216 . . . . 0.0 114.276 -177.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -62.55 -40.85 98.14 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.88 1.272 . . . . 0.0 112.894 -167.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.9 m -63.47 -4.45 2.78 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.04 1.336 . . . . 0.0 114.602 175.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -129.71 3.83 4.99 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.546 1.938 . . . . 0.0 112.955 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -152.08 -63.11 0.17 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.178 0.991 . . . . 0.0 112.883 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 62.9 m -91.91 -17.89 24.55 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -164.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -144.16 14.29 1.65 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.066 1.746 . . . . 0.0 113.197 -170.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.254 1.31 0 C-N-CA 127.684 2.394 . . . . 0.0 114.464 -178.854 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.5 m -51.01 136.99 22.19 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.895 1.278 . . . . 0.0 113.519 -174.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.64 150.69 22.57 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.346 1.458 . . . . 0.0 114.013 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -66.25 -15.66 63.38 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 165.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -135.0 -48.39 0.73 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.957 1.303 . . . . 0.0 113.015 -168.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 54.9 m -82.05 -9.84 59.42 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -168.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.59 33.67 73.07 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.74 1.162 . . . . 0.0 114.567 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 tpmt? -126.2 115.43 23.7 Favored Pre-proline 0 N--CA 1.475 0.798 0 C-N-CA 125.237 1.415 . . . . 0.0 111.125 -169.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -51.81 -32.77 47.74 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 125.042 3.828 . . . . 0.0 117.125 -176.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.1 24.5 1.66 Allowed Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.44 1.495 . . . . 0.0 115.562 -176.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -89.32 161.32 16.42 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.581 1.181 . . . . 0.0 113.622 177.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -151.12 169.6 21.46 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 128.746 2.818 . . . . 0.0 108.728 -174.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.1 p -58.33 -11.82 3.15 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 169.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.8 p -108.28 -10.56 15.35 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.52 1.928 . . . . 0.0 113.865 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -86.79 -38.68 16.64 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.406 1.082 . . . . 0.0 111.36 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.2 m -142.47 176.08 9.29 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.334 2.253 . . . . 0.0 110.721 167.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -35.27 59.2 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.75 1.22 . . . . 0.0 113.425 177.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.23 160.2 26.49 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 124.711 1.204 . . . . 0.0 112.547 171.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -71.75 172.75 13.83 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 122.85 2.367 . . . . 0.0 111.322 158.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -55.32 -13.8 1.54 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 127.462 2.305 . . . . 0.0 115.537 -178.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.03 -34.64 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 126.005 1.722 . . . . 0.0 112.603 166.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.4 t -149.27 -152.71 0.45 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.517 1.527 . . . . 0.0 111.051 -170.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -140.2 -22.14 0.84 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.793 2.037 . . . . 0.0 112.903 170.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -156.74 -53.97 0.08 Allowed 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.58 -31.36 62.04 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -171.06 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.9 pttm 43.31 25.76 0.08 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 118.434 2.753 . . . . 0.0 118.434 165.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -68.08 152.3 96.56 Favored Pre-proline 0 CA--C 1.554 1.108 0 O-C-N 121.104 -0.998 . . . . 0.0 112.407 177.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -52.57 -19.42 10.19 Favored 'Trans proline' 0 CA--C 1.543 0.973 1 C-N-CA 125.467 4.112 . . . . 0.0 119.963 -167.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.03 1.33 0.25 Allowed Glycine 0 N--CA 1.478 1.435 0 N-CA-C 116.327 1.291 . . . . 0.0 116.327 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -63.61 -28.55 70.0 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 118.63 1.215 . . . . 0.0 114.148 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -63.4 -40.3 96.83 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.37 1.068 . . . . 0.0 113.066 -164.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.7 m -62.83 -7.35 4.89 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -134.08 15.41 3.86 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.179 1.792 . . . . 0.0 113.676 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -148.86 -46.35 0.15 Allowed 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 176.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 85.2 m -114.97 -24.17 8.73 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -165.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -126.01 12.07 7.74 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 127.695 2.398 . . . . 0.0 112.137 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.253 1.281 0 C-N-CA 127.61 2.364 . . . . 0.0 114.474 -177.629 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.5 m -50.49 135.01 23.22 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.903 1.281 . . . . 0.0 113.568 -173.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.7 t -57.05 150.48 17.03 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.594 1.558 . . . . 0.0 114.416 -178.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -67.14 -14.55 63.01 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 166.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -135.13 -48.37 0.73 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.949 1.299 . . . . 0.0 113.044 -170.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 44.3 m -83.3 -11.77 57.37 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.63 1.172 . . . . 0.0 114.089 -167.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.56 23.89 63.36 Favored Glycine 0 CA--C 1.539 1.593 0 C-N-CA 124.87 1.224 . . . . 0.0 115.442 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -115.65 122.88 32.09 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 125.33 1.452 . . . . 0.0 110.979 -172.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -52.49 -34.17 60.77 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 124.932 3.755 . . . . 0.0 116.549 -176.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.37 35.69 1.34 Allowed Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.937 1.732 . . . . 0.0 115.388 -174.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -103.61 155.77 18.3 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.722 1.209 . . . . 0.0 113.104 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.9 mt -155.14 172.46 18.11 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 129.094 2.958 . . . . 0.0 108.406 -174.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m -54.85 -18.54 4.98 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.649 1.58 . . . . 0.0 114.882 170.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.6 p -98.5 -6.49 30.18 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.481 1.912 . . . . 0.0 114.039 176.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -101.64 -42.23 6.29 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.969 1.308 . . . . 0.0 111.373 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.8 m -142.85 174.47 10.63 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 127.241 2.216 . . . . 0.0 110.706 168.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -36.07 63.34 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.541 1.136 . . . . 0.0 113.423 178.227 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.75 160.14 27.54 Favored Pre-proline 0 CA--C 1.549 0.922 0 C-N-CA 124.74 1.216 . . . . 0.0 112.885 174.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.99 173.72 13.14 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 123.073 2.515 . . . . 0.0 111.412 159.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -53.98 -13.94 0.91 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 127.599 2.36 . . . . 0.0 115.704 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.1 t -54.82 -36.61 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 126.097 1.759 . . . . 0.0 112.785 167.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.1 t -149.44 -156.1 0.69 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.368 1.467 . . . . 0.0 111.173 -168.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -136.82 -17.88 1.41 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.814 2.045 . . . . 0.0 113.011 169.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -157.22 -58.25 0.08 Allowed 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.58 -29.83 59.45 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -169.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 pttm 43.12 26.9 0.1 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 128.405 2.682 . . . . 0.0 118.22 166.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -69.03 153.06 96.48 Favored Pre-proline 0 CA--C 1.552 1.056 0 O-C-N 121.233 -0.917 . . . . 0.0 112.463 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -53.16 -17.8 8.95 Favored 'Trans proline' 0 CA--C 1.544 1.001 1 C-N-CA 125.387 4.058 . . . . 0.0 120.047 -168.023 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.21 -1.63 0.18 Allowed Glycine 0 N--CA 1.478 1.487 0 N-CA-C 116.621 1.408 . . . . 0.0 116.621 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -61.95 -28.67 69.71 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -62.83 -40.57 97.82 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.952 1.301 . . . . 0.0 112.84 -168.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.7 m -62.87 -8.06 6.3 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -130.26 8.84 5.14 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.103 1.761 . . . . 0.0 113.894 177.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -147.35 -81.25 0.14 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.094 0.958 . . . . 0.0 111.158 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 62.7 m -76.53 -17.68 59.12 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -166.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.29 13.45 2.81 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.294 1.838 . . . . 0.0 112.986 -175.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.961 2.104 . . . . 0.0 112.915 177.992 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.2 m -50.5 136.16 21.36 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.822 1.249 . . . . 0.0 113.498 -174.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.7 t -56.81 151.62 14.0 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.523 1.529 . . . . 0.0 114.215 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -66.68 -15.22 63.35 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 165.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -136.01 -47.16 0.65 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.891 1.276 . . . . 0.0 113.215 -169.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.0 m -82.92 -8.67 59.55 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -166.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.98 33.96 76.55 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.43 1.014 . . . . 0.0 114.452 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -128.17 111.69 19.88 Favored Pre-proline 0 N--CA 1.474 0.745 0 C-N-CA 125.872 1.669 . . . . 0.0 110.705 -166.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -51.06 -32.72 40.16 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 125.25 3.967 . . . . 0.0 116.877 -177.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.9 34.66 1.24 Allowed Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.769 1.652 . . . . 0.0 115.328 -177.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -103.43 158.69 16.17 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.843 1.257 . . . . 0.0 113.279 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.3 mt -153.66 171.27 19.08 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 129.236 3.014 . . . . 0.0 108.183 -175.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.9 p -58.23 -16.85 15.39 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 168.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.6 p -94.56 -9.05 36.43 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.08 1.752 . . . . 0.0 113.967 173.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -99.04 -42.36 7.14 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.813 1.245 . . . . 0.0 111.343 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.2 m -142.79 172.97 11.97 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.384 2.274 . . . . 0.0 110.459 168.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.409 ' H ' ' HD2' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -54.47 -34.11 60.94 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.194 1.398 . . . . 0.0 113.772 -178.692 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.08 159.97 29.02 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.195 1.398 . . . . 0.0 112.127 170.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -72.52 174.65 11.31 Favored 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 123.078 2.519 . . . . 0.0 111.249 159.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -54.81 -12.39 0.78 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 127.547 2.339 . . . . 0.0 115.726 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -55.77 -36.64 43.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.889 1.676 . . . . 0.0 112.713 167.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.2 t -149.36 -153.64 0.51 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.499 1.52 . . . . 0.0 111.014 -169.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -139.59 -19.64 0.94 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.746 2.018 . . . . 0.0 113.002 170.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -156.77 -56.73 0.08 Allowed 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -178.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.6 p -77.31 -29.18 53.55 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -169.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.2 pttm 43.52 26.64 0.12 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 118.17 2.656 . . . . 0.0 118.17 164.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -68.18 153.17 95.85 Favored Pre-proline 0 CA--C 1.553 1.063 0 O-C-N 121.044 -1.035 . . . . 0.0 112.55 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_exo -52.55 -19.56 10.4 Favored 'Trans proline' 0 CA--C 1.544 1.012 1 C-N-CA 125.534 4.156 . . . . 0.0 119.941 -167.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.7 0.42 0.24 Allowed Glycine 0 N--CA 1.478 1.442 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -63.03 -28.0 69.79 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -177.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -62.19 -41.44 98.34 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.623 1.169 . . . . 0.0 112.577 -168.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.5 m -63.52 -4.21 2.69 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -135.46 10.85 3.47 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.014 1.726 . . . . 0.0 114.246 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -150.42 -55.87 0.16 Allowed 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 77.4 m -105.34 -17.71 14.36 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -165.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -139.3 3.91 2.18 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.225 1.81 . . . . 0.0 113.286 -177.338 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.1 p . . . . . 0 C--O 1.254 1.308 0 C-N-CA 127.215 2.206 . . . . 0.0 113.932 173.802 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.2 m -51.17 136.78 23.51 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.181 1.392 . . . . 0.0 113.948 -171.683 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.4 t -57.64 151.28 17.52 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.455 1.502 . . . . 0.0 113.798 178.14 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -66.1 -16.1 63.66 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 166.397 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -141.21 -42.45 0.38 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -171.33 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.2 m -74.84 -24.16 58.55 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -175.724 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.71 6.82 56.98 Favored Glycine 0 CA--C 1.542 1.726 0 C-N-CA 124.869 1.223 . . . . 0.0 115.852 -174.488 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.71 123.28 76.39 Favored Pre-proline 0 N--CA 1.48 1.056 0 CA-C-N 119.183 1.491 . . . . 0.0 110.891 177.275 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -54.37 -32.35 71.95 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 124.688 3.592 . . . . 0.0 116.045 175.644 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.91 28.08 1.92 Allowed Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.491 1.519 . . . . 0.0 115.329 -175.265 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -89.97 159.84 16.69 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 122.544 1.164 . . . . 0.0 113.591 177.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.6 mt -150.39 169.48 21.32 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 128.546 2.738 . . . . 0.0 108.842 -173.436 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.9 p -57.71 -12.58 3.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.838 1.655 . . . . 0.0 115.298 171.323 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.0 p -110.13 -10.53 14.66 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.567 1.947 . . . . 0.0 113.871 175.864 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -83.77 -39.83 19.55 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.276 1.03 . . . . 0.0 111.306 178.829 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.5 m -143.75 175.84 9.69 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.984 2.514 . . . . 0.0 110.087 168.599 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -53.99 -32.89 55.49 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.271 1.428 . . . . 0.0 113.986 177.028 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.77 160.29 25.31 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 124.506 1.122 . . . . 0.0 113.007 169.732 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -71.12 170.0 19.21 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 122.83 2.353 . . . . 0.0 111.172 156.62 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -55.44 -16.63 3.9 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.741 2.016 . . . . 0.0 115.783 -175.603 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.4 t -53.85 -31.45 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 126.011 1.724 . . . . 0.0 112.559 169.413 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.0 t -147.41 -156.78 0.75 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.267 1.827 . . . . 0.0 110.543 -173.598 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -137.23 -20.77 1.21 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.157 2.183 . . . . 0.0 113.167 170.056 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -156.87 -54.84 0.08 Allowed 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -177.64 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.35 -30.95 62.24 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -171.555 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.7 pttm 43.73 24.11 0.06 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 118.632 2.827 . . . . 0.0 118.632 165.588 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -67.98 151.51 97.14 Favored Pre-proline 0 CA--C 1.553 1.074 0 O-C-N 121.089 -1.007 . . . . 0.0 112.217 178.009 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -51.58 -24.4 17.07 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 125.158 3.905 . . . . 0.0 119.29 -167.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.83 11.36 0.71 Allowed Glycine 0 N--CA 1.476 1.307 0 N-CA-C 115.812 1.085 . . . . 0.0 115.812 -178.059 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -68.44 -30.26 69.09 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.652 1.226 . . . . 0.0 113.701 -179.353 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -60.69 -41.33 94.91 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.399 1.079 . . . . 0.0 112.823 -164.677 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.8 m -60.48 -5.09 1.05 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 175.704 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -127.33 6.29 6.37 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.633 1.973 . . . . 0.0 113.425 178.19 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -152.65 -48.6 0.1 Allowed 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 69.2 m -110.64 -4.99 15.14 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.131 1.372 . . . . 0.0 113.544 -167.829 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 tpp85 -149.31 3.38 0.58 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 127.265 2.226 . . . . 0.0 113.618 179.512 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.252 1.206 0 C-N-CA 126.879 2.072 . . . . 0.0 113.865 173.657 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.0 m -49.73 136.99 16.68 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.133 1.373 . . . . 0.0 114.096 -173.071 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.3 t -56.06 153.19 9.32 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.821 1.648 . . . . 0.0 114.144 178.794 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -66.49 -15.16 63.15 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 165.204 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -138.18 -48.67 0.54 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.928 1.291 . . . . 0.0 113.5 -169.496 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.8 m -80.75 -9.93 59.77 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 -165.404 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.58 28.57 69.96 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.388 0.994 . . . . 0.0 114.967 -179.559 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -118.17 113.61 37.24 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 125.891 1.676 . . . . 0.0 111.218 -172.613 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -51.1 -32.57 39.97 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 125.118 3.878 . . . . 0.0 116.292 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.79 26.5 1.4 Allowed Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.629 1.585 . . . . 0.0 115.43 -177.86 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -90.9 156.95 17.62 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 122.604 1.193 . . . . 0.0 113.645 177.82 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.9 mt -154.61 171.95 18.65 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 129.253 3.021 . . . . 0.0 108.267 -175.93 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.1 m -55.71 -18.01 7.19 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.204 1.402 . . . . 0.0 114.761 169.101 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.1 p -97.92 -4.62 36.06 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.506 1.923 . . . . 0.0 114.026 175.787 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -104.52 -40.57 6.0 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.02 1.328 . . . . 0.0 111.377 -178.365 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.0 m -142.68 172.91 12.05 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.503 1.921 . . . . 0.0 111.069 164.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.429 ' H ' ' NE ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -48.39 -37.38 16.76 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.908 2.083 . . . . 0.0 113.619 175.148 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.77 159.93 27.52 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.749 1.219 . . . . 0.0 112.72 169.354 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -71.99 174.52 11.15 Favored 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 123.158 2.572 . . . . 0.0 111.394 158.611 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -55.07 -13.56 1.22 Allowed 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 127.135 2.174 . . . . 0.0 115.672 -178.12 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.9 t -54.58 -34.5 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.77 1.628 . . . . 0.0 112.676 167.388 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.3 t -150.44 -152.14 0.42 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.257 1.423 . . . . 0.0 111.144 -169.905 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -138.77 -22.18 0.97 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.015 2.126 . . . . 0.0 112.792 169.41 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -157.08 -54.83 0.08 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -179.843 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -73.91 -32.21 63.44 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -170.175 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.9 pttm 42.56 26.14 0.06 Allowed 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 118.531 2.789 . . . . 0.0 118.531 166.408 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -67.22 152.39 96.16 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 124.108 0.963 . . . . 0.0 112.395 177.671 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -51.84 -19.84 8.8 Favored 'Trans proline' 0 CA--C 1.542 0.891 1 C-N-CA 125.554 4.169 . . . . 0.0 120.001 -167.175 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.6 1.53 0.28 Allowed Glycine 0 N--CA 1.477 1.398 0 N-CA-C 116.302 1.281 . . . . 0.0 116.302 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -63.64 -29.85 71.04 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.644 1.222 . . . . 0.0 113.889 -177.378 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -62.19 -40.71 96.97 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.902 1.281 . . . . 0.0 112.805 -164.866 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.4 m -61.83 -7.0 3.1 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.269 1.428 . . . . 0.0 114.597 176.466 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -127.16 4.54 6.41 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.816 2.046 . . . . 0.0 113.164 -177.2 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -150.38 -45.11 0.13 Allowed 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -176.214 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 84.2 m -115.08 -27.88 7.17 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.064 0.946 . . . . 0.0 113.473 -164.832 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -122.13 -1.08 9.31 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.93 2.492 . . . . 0.0 112.368 177.686 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.8 p . . . . . 0 C--O 1.252 1.234 0 C-N-CA 127.119 2.168 . . . . 0.0 114.092 175.507 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 97.9 m -120.48 142.22 49.48 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.872 1.669 . . . . 0.0 110.006 -178.574 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.9 t -63.68 150.15 44.98 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -172.885 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -71.82 -16.24 62.16 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 165.509 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -138.16 -47.91 0.53 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.333 1.053 . . . . 0.0 113.433 -166.14 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.1 m -73.96 -16.65 61.08 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.56 1.144 . . . . 0.0 113.669 -171.352 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.23 45.91 95.22 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.054 0.835 . . . . 0.0 112.77 -174.598 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.52 144.12 35.42 Favored Pre-proline 0 N--CA 1.476 0.855 0 C-N-CA 125.645 1.578 . . . . 0.0 111.732 -171.86 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -70.67 -170.11 0.43 Allowed 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 123.902 3.068 . . . . 0.0 111.135 164.71 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.7 28.19 72.97 Favored Glycine 0 CA--C 1.535 1.307 0 O-C-N 121.064 -1.023 . . . . 0.0 113.486 179.542 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -113.69 146.05 40.42 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.064 1.345 . . . . 0.0 112.119 -173.804 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.9 mt -156.06 173.22 17.13 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 128.578 2.751 . . . . 0.0 108.712 -172.698 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.2 m -54.83 -20.41 8.59 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.277 1.431 . . . . 0.0 114.523 168.355 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.6 p -92.4 -6.18 50.56 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.345 1.858 . . . . 0.0 114.204 175.614 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -105.99 -42.5 5.1 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.241 1.416 . . . . 0.0 111.321 179.763 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.4 m -143.39 170.15 16.32 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.222 2.209 . . . . 0.0 110.748 176.44 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -56.68 -31.52 64.52 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.791 1.236 . . . . 0.0 113.876 179.195 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.14 160.55 28.75 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 124.795 1.238 . . . . 0.0 112.19 168.294 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -72.37 171.72 16.43 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 122.662 2.242 . . . . 0.0 111.275 158.7 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -51.91 -19.67 1.9 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 127.084 2.154 . . . . 0.0 116.032 -176.093 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.9 t -53.06 -33.1 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 126.275 1.83 . . . . 0.0 112.874 170.925 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 t -149.12 -157.53 0.83 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.08 1.752 . . . . 0.0 110.844 -171.632 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -136.88 -16.88 1.45 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.325 2.25 . . . . 0.0 113.074 169.458 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -156.45 -62.03 0.1 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.652 1.181 . . . . 0.0 113.402 -174.174 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.24 -32.51 61.15 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.257 1.423 . . . . 0.0 114.548 -168.322 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.3 pttm 42.97 25.61 0.06 Allowed 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 118.371 2.73 . . . . 0.0 118.371 166.584 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -68.48 152.9 96.34 Favored Pre-proline 0 CA--C 1.552 1.034 0 O-C-N 121.209 -0.932 . . . . 0.0 112.151 177.09 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -52.15 -21.49 12.98 Favored 'Trans proline' 0 CA--C 1.543 0.941 1 C-N-CA 125.331 4.02 . . . . 0.0 119.455 -168.124 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.21 3.03 0.45 Allowed Glycine 0 N--CA 1.476 1.33 0 N-CA-C 116.264 1.266 . . . . 0.0 116.264 -179.399 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -63.04 -29.38 70.77 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.691 1.245 . . . . 0.0 113.936 -177.869 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -61.77 -40.3 94.68 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 124.183 0.993 . . . . 0.0 112.16 -169.434 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.7 m -59.38 -7.71 1.45 Allowed 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 115.243 1.572 . . . . 0.0 115.243 176.657 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -134.78 13.84 3.67 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.022 1.729 . . . . 0.0 114.054 177.293 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -149.86 -53.26 0.16 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 176.08 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.4 m -106.17 -3.81 20.98 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.909 1.284 . . . . 0.0 113.59 -168.653 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 tpp85 -152.65 19.9 0.61 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.146 2.179 . . . . 0.0 113.062 -176.567 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 C--O 1.253 1.242 0 C-N-CA 127.082 2.153 . . . . 0.0 114.112 -179.53 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.6 m -51.24 136.25 24.85 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.106 1.363 . . . . 0.0 113.923 -172.746 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.2 t -58.13 151.66 18.49 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.94 1.696 . . . . 0.0 114.396 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -67.6 -14.97 63.4 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 165.744 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -135.43 -47.17 0.69 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.84 1.256 . . . . 0.0 113.094 -169.652 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 55.7 m -83.7 -10.06 58.42 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -167.469 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.48 30.68 68.76 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.71 1.148 . . . . 0.0 114.823 -179.582 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -124.45 116.69 26.73 Favored Pre-proline 0 N--CA 1.476 0.832 0 C-N-CA 125.693 1.597 . . . . 0.0 110.758 -168.776 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -51.71 -31.9 43.16 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 125.093 3.862 . . . . 0.0 116.966 -177.135 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.1 34.69 1.28 Allowed Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.792 1.663 . . . . 0.0 115.464 -176.124 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -104.17 157.18 17.3 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.784 1.234 . . . . 0.0 113.345 -179.642 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.6 mt -154.14 170.57 20.88 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 128.91 2.884 . . . . 0.0 108.52 -173.732 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.5 m -56.68 -11.81 1.54 Allowed 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 171.737 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.6 m -113.43 0.4 14.73 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.881 1.673 . . . . 0.0 113.306 176.792 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -96.91 -41.06 8.6 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.875 1.27 . . . . 0.0 110.69 174.23 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.8 m -143.56 173.88 11.26 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.758 2.423 . . . . 0.0 110.406 169.241 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -55.57 -32.58 63.15 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.26 1.424 . . . . 0.0 114.13 177.903 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.2 159.7 26.6 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 124.425 1.09 . . . . 0.0 112.966 171.667 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -71.38 170.72 17.71 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 122.847 2.365 . . . . 0.0 111.282 158.127 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -52.68 -20.41 3.08 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 127.013 2.125 . . . . 0.0 115.655 -176.871 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.5 t -52.0 -32.63 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 126.151 1.78 . . . . 0.0 112.879 171.014 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 t -148.89 -156.23 0.7 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.134 1.774 . . . . 0.0 110.844 -172.875 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -137.87 -17.94 1.22 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.338 2.255 . . . . 0.0 113.175 169.618 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -155.53 -59.98 0.11 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -176.101 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 p -77.28 -30.41 54.26 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -169.653 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.5 pttm 43.26 26.14 0.08 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 118.458 2.762 . . . . 0.0 118.458 165.019 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -67.69 151.8 96.85 Favored Pre-proline 0 CA--C 1.552 1.041 0 O-C-N 121.09 -1.006 . . . . 0.0 112.349 177.819 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -51.96 -23.3 16.31 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 125.202 3.935 . . . . 0.0 119.335 -167.803 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.06 9.29 0.71 Allowed Glycine 0 N--CA 1.478 1.487 0 CA-C-N 119.631 1.105 . . . . 0.0 115.844 -178.251 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -67.99 -29.98 69.13 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.499 1.149 . . . . 0.0 113.703 -179.51 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -62.42 -42.51 99.49 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.055 0.942 . . . . 0.0 112.601 -163.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.6 m -59.08 -6.39 0.85 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 175.135 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -128.82 4.48 5.43 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 127.067 2.147 . . . . 0.0 113.134 -176.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -151.92 -52.3 0.12 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 75.1 m -106.6 -3.13 21.05 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.266 1.427 . . . . 0.0 113.515 -168.173 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -152.29 19.2 0.65 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.094 2.158 . . . . 0.0 113.108 -177.095 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.4 m . . . . . 0 C--O 1.255 1.367 0 C-N-CA 127.039 2.136 . . . . 0.0 114.24 -179.75 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.3 m -125.01 142.13 51.69 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.907 1.683 . . . . 0.0 109.855 -173.89 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.2 t -64.7 148.16 51.62 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -172.48 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -68.83 -17.8 64.06 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 165.926 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -141.11 -42.99 0.38 Allowed 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -167.193 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.1 m -71.22 -17.29 62.52 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -174.618 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.33 36.3 93.22 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 123.819 0.723 . . . . 0.0 113.074 -173.02 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -130.03 142.58 45.9 Favored Pre-proline 0 N--CA 1.475 0.787 0 C-N-CA 125.99 1.716 . . . . 0.0 112.036 -168.432 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.62 -170.28 0.58 Allowed 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.938 3.092 . . . . 0.0 110.739 163.829 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.33 29.67 75.24 Favored Glycine 0 CA--C 1.533 1.216 0 O-C-N 121.16 -0.962 . . . . 0.0 113.258 179.349 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -116.67 146.45 42.74 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.193 1.397 . . . . 0.0 112.393 -170.784 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.7 mt -155.95 174.38 15.42 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 128.655 2.782 . . . . 0.0 108.787 -173.037 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 56.4 p -56.53 -18.15 10.72 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 165.916 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.3 p -92.71 -1.46 56.82 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.235 1.814 . . . . 0.0 114.06 174.111 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -114.29 -38.74 4.03 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.282 1.433 . . . . 0.0 111.623 -179.278 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 m -143.1 172.36 12.82 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.002 2.121 . . . . 0.0 110.896 172.305 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.6 -32.72 52.27 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.134 1.374 . . . . 0.0 113.773 177.449 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.19 159.72 28.85 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 125.16 1.384 . . . . 0.0 111.746 167.167 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -71.27 168.94 21.96 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 122.55 2.167 . . . . 0.0 110.85 157.301 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -53.56 -18.5 2.91 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 127.031 2.132 . . . . 0.0 115.915 -174.659 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.4 t -51.64 -32.65 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 126.114 1.766 . . . . 0.0 112.656 169.346 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.8 t -148.53 -159.28 1.01 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.327 1.851 . . . . 0.0 110.611 -175.403 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -138.91 -14.15 1.2 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.406 2.282 . . . . 0.0 112.847 170.491 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -155.85 -63.25 0.11 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.902 1.281 . . . . 0.0 112.915 -171.589 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.17 -36.11 66.54 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.951 1.7 . . . . 0.0 114.038 -168.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.1 pttm 43.58 23.49 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 128.636 2.774 . . . . 0.0 118.313 169.194 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -68.91 151.76 97.11 Favored Pre-proline 0 CA--C 1.55 0.969 0 O-C-N 121.171 -0.956 . . . . 0.0 112.072 176.553 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_exo -52.17 -21.99 14.19 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 125.216 3.944 . . . . 0.0 119.32 -168.404 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.0 2.18 0.51 Allowed Glycine 0 CA--C 1.536 1.392 0 N-CA-C 116.29 1.276 . . . . 0.0 116.29 -178.579 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -62.34 -30.57 71.26 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.693 1.246 . . . . 0.0 114.005 -177.166 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -60.25 -40.49 90.48 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.69 1.196 . . . . 0.0 112.565 -169.202 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.9 m -58.89 -10.53 2.51 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 176.059 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -127.25 6.07 6.4 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.695 1.998 . . . . 0.0 113.16 -178.198 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -150.66 -59.2 0.18 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 179.047 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 61.7 m -96.64 -4.84 40.3 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.917 1.287 . . . . 0.0 113.96 -168.435 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -152.51 19.14 0.63 Allowed 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.721 2.009 . . . . 0.0 113.278 -175.433 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m . . . . . 0 C--O 1.252 1.201 0 C-N-CA 126.928 2.091 . . . . 0.0 114.244 -179.788 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 . . . . . 0 N--CA 1.485 1.295 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 m -49.46 138.64 13.16 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.459 1.504 . . . . 0.0 114.062 -173.391 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.38 153.16 16.18 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.817 1.647 . . . . 0.0 113.957 178.741 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -66.98 -15.68 63.87 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 164.865 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -135.94 -48.1 0.67 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.911 1.284 . . . . 0.0 113.304 -168.771 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.8 m -81.98 -9.49 59.55 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -166.735 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.22 32.54 72.05 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 124.534 1.064 . . . . 0.0 114.56 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -125.86 113.39 24.6 Favored Pre-proline 0 N--CA 1.475 0.822 0 C-N-CA 125.62 1.568 . . . . 0.0 110.827 -168.136 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -51.53 -32.03 41.99 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 125.064 3.843 . . . . 0.0 116.999 -176.031 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.07 26.55 1.19 Allowed Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.616 1.579 . . . . 0.0 115.628 -176.901 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -92.86 162.57 14.04 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 122.584 1.183 . . . . 0.0 113.434 177.745 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.6 mt -152.01 171.92 17.08 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 128.19 2.596 . . . . 0.0 109.091 -172.259 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.7 t -55.13 -13.97 1.44 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.938 1.695 . . . . 0.0 114.932 170.896 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.3 p -120.58 -11.08 9.12 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.518 1.927 . . . . 0.0 114.587 -179.668 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -74.85 -38.35 61.99 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.26 0.936 . . . . 0.0 111.15 175.234 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.5 m -139.17 179.27 6.61 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.126 2.571 . . . . 0.0 109.364 165.913 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.17 -38.95 63.23 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.31 1.044 . . . . 0.0 112.893 178.208 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.61 159.23 30.77 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 125.108 1.363 . . . . 0.0 112.314 174.285 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -72.68 175.67 9.92 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 123.146 2.564 . . . . 0.0 111.496 161.248 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -53.48 -13.94 0.71 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 127.618 2.367 . . . . 0.0 115.777 -178.204 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -56.5 -36.75 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 126.253 1.821 . . . . 0.0 112.87 168.632 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.6 t -148.76 -153.73 0.51 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.257 1.423 . . . . 0.0 111.141 -169.667 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -141.08 -20.55 0.79 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.901 2.081 . . . . 0.0 112.921 169.837 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -158.42 -54.53 0.07 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.657 1.183 . . . . 0.0 113.596 -177.249 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -36.5 76.52 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.377 1.471 . . . . 0.0 114.502 -170.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.9 pttt 42.23 27.25 0.07 Allowed 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 128.674 2.79 . . . . 0.0 117.871 170.189 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -69.61 151.28 96.63 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 124.101 0.96 . . . . 0.0 112.187 176.378 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -51.9 -22.48 14.15 Favored 'Trans proline' 0 CA--C 1.542 0.888 1 C-N-CA 125.396 4.064 . . . . 0.0 119.536 -167.343 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.1 16.91 0.45 Allowed Glycine 0 N--CA 1.476 1.303 0 CA-C-N 119.574 1.079 . . . . 0.0 115.74 -177.779 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -76.05 -29.76 58.15 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 118.513 1.157 . . . . 0.0 113.879 -178.761 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -61.25 -41.52 97.04 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.361 1.465 . . . . 0.0 113.698 -163.037 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.8 m -63.82 -4.45 3.21 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 178.232 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -127.84 5.26 6.03 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.83 2.052 . . . . 0.0 112.855 -177.502 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -149.81 -64.56 0.21 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.856 0.862 . . . . 0.0 112.686 177.282 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.3 m -90.01 -19.31 24.57 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -166.085 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.26 15.18 2.04 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.994 1.718 . . . . 0.0 113.235 -169.879 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 C--O 1.254 1.325 0 C-N-CA 127.589 2.356 . . . . 0.0 114.346 -179.928 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 . . . . . 0 N--CA 1.486 1.326 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.7 m -50.2 136.44 19.58 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.002 1.321 . . . . 0.0 113.575 -173.317 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.1 t -55.07 150.23 10.85 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.442 1.497 . . . . 0.0 113.873 -179.777 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -19.06 63.35 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 166.513 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -133.99 -48.2 0.8 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.251 1.42 . . . . 0.0 113.455 -170.319 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.2 m -79.62 -10.33 59.78 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -166.111 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.92 30.47 73.26 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 124.394 0.997 . . . . 0.0 114.78 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -122.78 115.49 29.42 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 125.869 1.668 . . . . 0.0 110.61 -170.003 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -52.13 -32.65 50.48 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 124.975 3.783 . . . . 0.0 116.98 -175.682 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.47 29.38 1.22 Allowed Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.723 1.63 . . . . 0.0 115.554 -176.171 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -98.96 165.35 11.79 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.826 1.25 . . . . 0.0 113.08 178.253 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.7 mt -152.23 170.9 18.88 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 128.515 2.726 . . . . 0.0 108.549 -176.363 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 64.8 m -57.53 -3.7 0.2 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.296 1.838 . . . . 0.0 115.735 170.309 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.1 p -126.48 -11.25 6.26 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.854 2.062 . . . . 0.0 114.132 177.666 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -74.84 -39.03 61.84 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.166 0.894 . . . . 0.0 110.874 173.796 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.2 m -137.07 -177.14 4.63 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 128.103 2.561 . . . . 0.0 109.437 167.298 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -37.39 61.9 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.632 1.173 . . . . 0.0 112.637 179.451 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.37 162.13 24.18 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 125.842 1.657 . . . . 0.0 111.779 171.299 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -71.65 168.78 22.72 Favored 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 122.791 2.327 . . . . 0.0 110.853 156.305 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -56.4 -15.79 4.68 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.249 1.82 . . . . 0.0 115.748 -174.919 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.3 t -50.64 -33.47 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 126.136 1.775 . . . . 0.0 112.483 167.738 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.5 t -148.88 -159.59 1.06 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.193 1.797 . . . . 0.0 110.876 -174.478 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -138.97 -16.12 1.11 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.399 2.28 . . . . 0.0 113.052 170.066 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -156.79 -60.4 0.09 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.344 1.057 . . . . 0.0 113.808 -175.365 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.13 -32.68 69.27 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.295 1.438 . . . . 0.0 114.528 -171.345 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.9 pttt 42.35 24.8 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 129.255 3.022 . . . . 0.0 118.84 165.148 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -69.39 152.89 96.29 Favored Pre-proline 0 CA--C 1.551 1.018 0 O-C-N 121.206 -0.934 . . . . 0.0 112.087 175.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -52.31 -22.35 15.56 Favored 'Trans proline' 0 CA--C 1.542 0.9 0 C-N-CA 125.199 3.933 . . . . 0.0 119.305 -169.608 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -149.59 1.97 0.54 Allowed Glycine 0 CA--C 1.538 1.473 0 N-CA-C 116.245 1.258 . . . . 0.0 116.245 -177.749 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -62.34 -29.62 70.58 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.743 1.271 . . . . 0.0 114.154 -177.276 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -60.05 -40.77 90.58 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.618 1.167 . . . . 0.0 112.553 -169.639 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.8 m -59.51 -9.69 2.74 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 175.415 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -125.99 4.2 7.26 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.755 2.022 . . . . 0.0 113.043 -178.003 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -150.83 -64.16 0.19 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.801 0.84 . . . . 0.0 113.059 178.553 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.4 m -89.04 -6.19 57.34 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -168.649 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -152.32 18.64 0.65 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.329 1.852 . . . . 0.0 113.417 -174.187 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.7 m . . . . . 0 C--O 1.253 1.244 0 C-N-CA 126.802 2.041 . . . . 0.0 114.2 -179.815 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.4 m -48.89 133.2 18.07 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.219 1.407 . . . . 0.0 114.15 -173.157 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.9 t -54.36 150.18 9.13 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.08 1.752 . . . . 0.0 114.355 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -61.68 -21.27 64.31 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 166.18 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -132.84 -47.51 0.87 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.101 1.36 . . . . 0.0 113.278 -168.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.5 m -80.92 -9.96 59.77 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -166.588 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.81 32.83 75.72 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.489 1.042 . . . . 0.0 114.805 179.366 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -127.45 118.9 21.62 Favored Pre-proline 0 N--CA 1.475 0.807 0 C-N-CA 125.371 1.468 . . . . 0.0 110.882 -170.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -51.8 -31.85 43.81 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 125.025 3.817 . . . . 0.0 117.057 -177.063 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.38 36.87 1.35 Allowed Glycine 0 CA--C 1.534 1.268 0 C-N-CA 125.809 1.671 . . . . 0.0 115.358 -175.169 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -108.46 155.53 20.49 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.929 1.292 . . . . 0.0 113.331 -179.054 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.2 mt -155.0 172.16 18.55 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 129.117 2.967 . . . . 0.0 108.356 -173.925 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.6 m -55.45 -19.84 10.63 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.216 1.406 . . . . 0.0 114.49 169.109 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.1 p -94.17 -5.0 48.08 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.476 1.91 . . . . 0.0 114.055 175.881 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -106.23 -43.77 4.72 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.158 1.383 . . . . 0.0 111.292 -177.78 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.1 m -143.17 176.18 9.32 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.371 2.268 . . . . 0.0 110.682 170.918 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -37.32 65.52 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.858 1.263 . . . . 0.0 113.03 179.765 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.84 161.2 24.8 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.015 1.326 . . . . 0.0 112.47 174.439 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -71.97 168.89 22.7 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 122.97 2.447 . . . . 0.0 111.196 157.569 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -56.91 -15.58 5.13 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.992 1.849 . . . . 0.0 115.992 -173.739 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.8 t -51.92 -32.28 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.775 1.63 . . . . 0.0 112.421 168.17 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.0 t -146.64 -158.82 0.94 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.5 1.92 . . . . 0.0 110.419 -176.311 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -136.84 -11.54 1.76 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.42 2.288 . . . . 0.0 112.775 168.662 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -159.02 -63.1 0.08 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.026 1.33 . . . . 0.0 112.794 -172.433 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -38.11 70.3 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.096 1.758 . . . . 0.0 113.973 -167.294 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.5 pttm 43.49 23.58 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 128.531 2.732 . . . . 0.0 118.062 171.158 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -69.92 151.29 96.26 Favored Pre-proline 0 CA--C 1.551 1.018 0 O-C-N 121.157 -0.964 . . . . 0.0 112.244 176.741 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -52.33 -21.16 12.84 Favored 'Trans proline' 0 CA--C 1.543 0.934 1 C-N-CA 125.509 4.139 . . . . 0.0 119.569 -168.493 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.15 11.11 0.67 Allowed Glycine 0 N--CA 1.478 1.436 0 CA-C-N 119.689 1.132 . . . . 0.0 115.766 -178.926 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -71.61 -28.98 64.17 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.409 1.104 . . . . 0.0 113.189 179.537 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -64.0 -44.25 93.19 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.838 0.855 . . . . 0.0 112.097 -168.889 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.1 m -59.76 -6.31 1.18 Allowed 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 176.243 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -135.7 13.83 3.42 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.387 1.875 . . . . 0.0 113.825 179.422 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -151.49 -53.29 0.13 Allowed 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 175.126 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.1 m -106.05 -3.71 21.27 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.028 1.331 . . . . 0.0 113.615 -168.156 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.4 tpp85 -152.47 19.4 0.63 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 127.16 2.184 . . . . 0.0 112.989 -176.696 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.9 m . . . . . 0 C--O 1.253 1.263 0 C-N-CA 127.045 2.138 . . . . 0.0 114.161 -179.729 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.0 m -126.57 138.13 53.42 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.846 1.658 . . . . 0.0 109.786 -173.25 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.7 t -60.9 147.35 43.39 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -173.185 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -67.05 -21.73 65.89 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 166.825 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -136.03 -41.04 0.67 Allowed 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -167.765 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 63.1 m -71.1 -17.62 62.57 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -177.709 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.19 28.51 69.23 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.222 0.915 . . . . 0.0 113.745 -172.615 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.44 147.5 38.16 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 125.961 1.705 . . . . 0.0 111.785 -174.527 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -71.71 -169.43 0.43 Allowed 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 123.872 3.048 . . . . 0.0 110.625 161.446 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.59 29.41 73.57 Favored Glycine 0 CA--C 1.533 1.179 0 O-C-N 121.02 -1.05 . . . . 0.0 113.404 179.103 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -117.89 146.66 43.77 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.141 1.376 . . . . 0.0 112.272 -170.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.2 mt -156.18 172.42 18.47 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.922 2.489 . . . . 0.0 109.325 -171.071 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.6 m -52.29 -18.71 1.68 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.622 1.969 . . . . 0.0 115.085 168.663 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.2 p -101.9 -11.08 19.27 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.591 1.957 . . . . 0.0 113.93 178.512 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -92.59 -42.48 9.64 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.528 1.131 . . . . 0.0 111.23 177.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.5 m -143.13 173.19 11.79 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.112 2.165 . . . . 0.0 111.184 176.766 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -50.96 -35.22 32.4 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.902 1.681 . . . . 0.0 114.046 177.103 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -161.4 160.43 23.63 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 124.978 1.311 . . . . 0.0 112.195 166.25 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -72.29 167.4 27.0 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 C-N-CA 122.614 2.209 . . . . 0.0 111.053 156.316 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -53.07 -19.62 2.94 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.838 2.055 . . . . 0.0 115.421 -176.195 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -50.0 -32.27 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 126.073 1.749 . . . . 0.0 112.772 169.212 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.3 t -148.37 -157.42 0.81 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.382 1.873 . . . . 0.0 110.805 -175.72 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -137.89 -19.55 1.16 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.34 2.256 . . . . 0.0 113.073 170.127 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -155.72 -56.81 0.09 Allowed 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -176.315 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -73.71 -34.27 64.74 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -172.038 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.2 pttm 43.29 25.49 0.07 Allowed 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 118.476 2.769 . . . . 0.0 118.476 166.189 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -69.59 152.11 96.37 Favored Pre-proline 0 CA--C 1.552 1.036 0 O-C-N 121.183 -0.948 . . . . 0.0 112.714 177.855 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -52.24 -21.26 12.76 Favored 'Trans proline' 0 CA--C 1.542 0.899 1 C-N-CA 125.521 4.147 . . . . 0.0 119.599 -169.107 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.0 11.34 0.69 Allowed Glycine 0 N--CA 1.476 1.334 0 CA-C-N 119.68 1.127 . . . . 0.0 115.664 -178.89 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -71.73 -28.05 63.41 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.314 1.057 . . . . 0.0 113.416 179.663 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -63.56 -44.78 93.14 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.789 0.836 . . . . 0.0 112.084 -168.259 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.9 m -59.81 -5.59 0.99 Allowed 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.232 1.568 . . . . 0.0 115.232 175.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -136.58 14.29 3.18 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.489 1.916 . . . . 0.0 113.766 179.339 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -151.21 -56.75 0.15 Allowed 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 174.123 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.0 m -102.09 -4.15 26.39 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.003 1.321 . . . . 0.0 113.83 -168.861 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 tpp85 -152.88 19.73 0.59 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.031 2.132 . . . . 0.0 112.987 -175.536 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 C--O 1.254 1.292 0 C-N-CA 127.044 2.137 . . . . 0.0 114.193 -179.544 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.4 m -122.81 146.42 47.55 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.219 1.808 . . . . 0.0 109.637 -176.302 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.6 t -66.33 149.14 50.82 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -175.096 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -68.98 -18.13 64.02 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 165.74 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -138.45 -47.16 0.51 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -167.29 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.7 m -69.9 -24.37 63.38 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.378 1.071 . . . . 0.0 112.894 -177.612 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.43 0.62 24.33 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 125.44 1.495 . . . . 0.0 114.984 -171.166 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.07 150.38 71.51 Favored Pre-proline 0 N--CA 1.474 0.741 0 C-N-CA 125.199 1.4 . . . . 0.0 112.021 179.729 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -72.07 -168.38 0.37 Allowed 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 124.155 3.237 . . . . 0.0 110.801 162.053 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 61.7 28.68 70.33 Favored Glycine 0 CA--C 1.535 1.298 0 O-C-N 120.965 -1.084 . . . . 0.0 113.414 179.113 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -114.98 148.83 38.27 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.292 1.437 . . . . 0.0 111.976 -171.891 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.1 mt -154.74 173.09 16.91 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.711 2.404 . . . . 0.0 109.27 -172.275 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 m -55.14 -6.81 0.16 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 127.653 2.381 . . . . 0.0 115.939 171.643 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.2 p -120.91 -14.23 8.51 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.967 2.107 . . . . 0.0 113.761 178.528 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -79.61 -36.89 37.29 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.044 0.937 . . . . 0.0 111.032 172.035 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.3 m -142.0 176.31 9.05 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.42 2.288 . . . . 0.0 110.692 173.622 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -32.62 55.92 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.39 1.076 . . . . 0.0 113.212 177.614 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.37 159.85 28.41 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 125.638 1.575 . . . . 0.0 111.291 167.608 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.91 170.18 19.46 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 122.34 2.027 . . . . 0.0 110.902 157.893 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -51.6 -20.28 1.91 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.387 2.275 . . . . 0.0 115.792 -175.624 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.4 t -52.22 -32.8 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 126.123 1.769 . . . . 0.0 112.906 170.676 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.7 t -148.91 -157.8 0.85 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.033 1.733 . . . . 0.0 110.805 -174.574 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -141.0 -18.01 0.83 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.308 2.243 . . . . 0.0 113.289 171.922 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -154.49 -58.85 0.11 Allowed 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -174.145 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 p -80.21 -30.54 38.68 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -170.621 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.9 pttm 43.79 26.94 0.15 Allowed 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 118.4 2.741 . . . . 0.0 118.4 163.578 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -68.76 153.34 96.03 Favored Pre-proline 0 CA--C 1.553 1.063 0 O-C-N 121.193 -0.942 . . . . 0.0 112.323 177.207 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -52.02 -24.38 19.38 Favored 'Trans proline' 0 CA--C 1.543 0.975 0 C-N-CA 125.054 3.836 . . . . 0.0 119.177 -168.386 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.97 3.9 0.7 Allowed Glycine 0 N--CA 1.477 1.401 0 N-CA-C 116.166 1.227 . . . . 0.0 116.166 -177.681 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -63.77 -27.19 69.02 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -177.572 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -60.94 -41.68 96.72 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.782 0.833 . . . . 0.0 112.34 -168.322 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.3 m -59.42 -8.72 1.91 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 176.76 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -130.37 10.54 5.29 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.085 1.754 . . . . 0.0 114.056 178.138 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -152.02 -49.24 0.11 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 179.726 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 78.5 m -111.75 -4.76 14.56 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.768 1.227 . . . . 0.0 113.493 -167.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.8 tpp85 -151.22 10.41 0.59 Allowed 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 127.201 2.201 . . . . 0.0 113.324 -179.798 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.342 1.857 . . . . 0.0 114.133 174.633 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.2 m -117.85 144.44 45.4 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.408 1.883 . . . . 0.0 109.722 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 t -63.76 148.94 47.94 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -175.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -66.63 -22.95 66.11 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 166.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -139.41 -39.62 0.47 Allowed 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -167.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.4 m -68.03 -25.65 65.48 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.11 0.868 . . . . 0.0 112.871 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.33 6.15 46.32 Favored Glycine 0 CA--C 1.54 1.635 0 C-N-CA 124.997 1.284 . . . . 0.0 114.842 -170.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.79 149.88 49.26 Favored Pre-proline 0 N--CA 1.474 0.745 0 C-N-CA 125.355 1.462 . . . . 0.0 111.935 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -72.08 -168.39 0.37 Allowed 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 124.029 3.153 . . . . 0.0 110.763 161.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 61.59 29.58 72.28 Favored Glycine 0 CA--C 1.534 1.28 0 O-C-N 120.857 -1.152 . . . . 0.0 113.317 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -116.23 151.36 35.91 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 125.319 1.448 . . . . 0.0 111.892 -172.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.2 mt -153.95 170.95 19.82 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 128.113 2.565 . . . . 0.0 108.694 -174.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.1 m -58.03 -2.74 0.18 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.984 2.114 . . . . 0.0 115.768 171.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.0 p -120.15 -13.95 8.89 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.062 2.145 . . . . 0.0 113.559 176.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -79.28 -40.14 31.24 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.163 0.985 . . . . 0.0 110.669 170.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.7 m -140.23 174.54 10.41 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.71 2.404 . . . . 0.0 110.31 173.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.43 -33.97 56.03 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.601 1.16 . . . . 0.0 113.476 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.55 159.99 29.58 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 125.692 1.597 . . . . 0.0 111.057 168.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -71.65 171.57 16.11 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 122.541 2.161 . . . . 0.0 111.044 159.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -53.85 -18.4 3.28 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 126.42 1.888 . . . . 0.0 115.711 -175.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.2 t -50.69 -33.77 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.304 1.842 . . . . 0.0 112.798 169.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 t -147.73 -154.66 0.57 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 126.323 1.849 . . . . 0.0 110.563 -175.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -140.52 -23.0 0.81 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.177 2.191 . . . . 0.0 113.095 171.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -155.67 -53.68 0.09 Allowed 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -176.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.29 -31.36 58.19 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 -171.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.2 pttm 44.16 24.11 0.08 Allowed 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 118.795 2.887 . . . . 0.0 118.795 164.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -67.92 152.66 96.21 Favored Pre-proline 0 CA--C 1.551 1.009 0 O-C-N 120.903 -1.123 . . . . 0.0 112.357 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -52.28 -21.95 14.49 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 125.221 3.947 . . . . 0.0 119.525 -167.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.31 3.61 0.47 Allowed Glycine 0 CA--C 1.536 1.4 0 N-CA-C 116.082 1.193 . . . . 0.0 116.082 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -63.2 -28.64 70.19 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.564 1.182 . . . . 0.0 114.075 -177.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -60.81 -41.69 96.2 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.289 1.036 . . . . 0.0 112.056 -170.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.6 m -60.26 -7.15 1.78 Allowed 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 176.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -134.18 13.33 3.89 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.152 1.781 . . . . 0.0 114.079 176.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -149.43 -54.85 0.17 Allowed 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 176.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.7 m -103.75 -4.05 24.17 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.959 1.303 . . . . 0.0 113.629 -168.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -152.1 19.33 0.67 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 127.053 2.141 . . . . 0.0 113.132 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 C--O 1.255 1.379 0 C-N-CA 127.036 2.134 . . . . 0.0 114.091 179.951 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 m -51.05 133.11 27.77 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.215 1.406 . . . . 0.0 113.763 -172.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.1 t -54.43 150.56 8.79 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.052 1.741 . . . . 0.0 114.423 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -62.65 -21.47 65.72 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 166.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -132.57 -46.85 0.89 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.138 1.375 . . . . 0.0 113.247 -168.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 55.8 m -82.04 -10.1 59.33 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -167.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.85 31.3 71.57 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.675 1.131 . . . . 0.0 114.898 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -125.23 116.58 25.53 Favored Pre-proline 0 N--CA 1.476 0.842 0 C-N-CA 125.622 1.569 . . . . 0.0 110.772 -169.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -51.64 -32.13 43.5 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 125.179 3.919 . . . . 0.0 116.888 -177.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.09 35.63 1.28 Allowed Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.807 1.67 . . . . 0.0 115.33 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -105.19 154.29 20.4 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.805 1.242 . . . . 0.0 113.258 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.1 mt -154.18 172.84 16.94 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 129.153 2.981 . . . . 0.0 108.424 -174.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.1 m -54.89 -18.92 5.53 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.569 1.548 . . . . 0.0 114.842 170.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.3 p -97.95 -4.75 35.72 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.701 2.001 . . . . 0.0 114.075 176.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -105.64 -40.81 5.64 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.163 1.385 . . . . 0.0 111.456 -177.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.2 m -143.89 173.51 11.64 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.169 2.188 . . . . 0.0 110.644 167.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.62 -35.24 60.71 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.331 1.453 . . . . 0.0 113.663 175.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.51 160.94 25.82 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 124.564 1.146 . . . . 0.0 113.345 171.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -72.36 173.32 13.31 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 123.107 2.538 . . . . 0.0 111.514 158.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -58.13 -9.45 1.44 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 126.721 2.009 . . . . 0.0 115.766 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.8 t -54.62 -37.08 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.843 1.657 . . . . 0.0 112.521 165.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 t -148.62 -154.74 0.57 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.669 1.587 . . . . 0.0 110.951 -169.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -134.87 -20.64 1.73 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.709 2.004 . . . . 0.0 112.714 168.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -158.28 -51.49 0.07 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.425 1.09 . . . . 0.0 113.939 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -36.85 77.15 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.058 1.343 . . . . 0.0 114.409 -171.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 pttm 42.85 24.83 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 128.569 2.748 . . . . 0.0 118.295 170.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -68.37 152.34 96.64 Favored Pre-proline 0 CA--C 1.552 1.052 0 O-C-N 121.143 -0.973 . . . . 0.0 112.292 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_exo -52.3 -19.28 9.16 Favored 'Trans proline' 0 C--N 1.355 0.906 1 C-N-CA 125.575 4.183 . . . . 0.0 120.032 -167.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.11 1.11 0.24 Allowed Glycine 0 N--CA 1.478 1.471 0 N-CA-C 116.462 1.345 . . . . 0.0 116.462 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -64.18 -26.69 68.63 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -177.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -63.71 -41.65 98.07 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.542 1.137 . . . . 0.0 112.501 -169.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.0 m -63.66 -3.68 2.45 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -134.48 9.58 3.7 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.936 1.694 . . . . 0.0 114.092 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -151.02 -51.66 0.13 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 67.0 m -109.07 -17.35 13.91 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -164.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.89 2.59 2.17 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.658 1.983 . . . . 0.0 113.096 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.254 1.305 0 C-N-CA 127.264 2.226 . . . . 0.0 113.964 173.785 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 . . . . . 0 N--CA 1.485 1.304 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.7 m -49.38 140.33 10.44 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.099 1.36 . . . . 0.0 113.984 -173.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.4 t -59.91 152.96 22.17 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.648 1.579 . . . . 0.0 113.867 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -67.02 -15.18 63.56 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 165.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -137.09 -48.86 0.61 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.881 1.272 . . . . 0.0 113.224 -169.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.0 m -80.52 -10.6 59.74 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -167.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.48 28.9 68.21 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 124.692 1.139 . . . . 0.0 114.931 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -121.88 117.64 29.7 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 125.6 1.56 . . . . 0.0 110.807 -170.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.26 -31.61 47.18 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 125.056 3.837 . . . . 0.0 116.95 -176.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.56 31.02 1.22 Allowed Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.746 1.641 . . . . 0.0 115.544 -176.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -101.45 165.22 11.37 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.026 1.33 . . . . 0.0 113.359 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.6 mt -153.36 170.78 19.83 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 128.447 2.699 . . . . 0.0 108.522 -176.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.7 m -58.15 -2.03 0.16 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.451 1.901 . . . . 0.0 115.833 170.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.7 p -127.69 -12.68 5.42 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.025 2.13 . . . . 0.0 114.107 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -74.04 -35.86 64.36 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.17 0.895 . . . . 0.0 111.0 172.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 m -136.97 -179.79 5.91 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 127.649 2.38 . . . . 0.0 109.904 166.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -35.26 59.25 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.232 1.013 . . . . 0.0 112.898 176.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.3 160.55 28.41 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 125.62 1.568 . . . . 0.0 112.029 169.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -72.5 174.97 10.78 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 122.881 2.387 . . . . 0.0 111.009 159.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -53.44 -15.78 1.19 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 127.065 2.146 . . . . 0.0 115.531 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.8 t -54.39 -35.03 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.841 1.657 . . . . 0.0 112.927 168.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.1 t -150.29 -153.32 0.48 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.06 1.344 . . . . 0.0 111.348 -170.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -143.0 -18.0 0.66 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.439 2.295 . . . . 0.0 112.959 170.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -156.8 -62.65 0.1 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.827 1.251 . . . . 0.0 113.146 -174.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -73.47 -31.35 63.72 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.503 1.521 . . . . 0.0 114.621 -168.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.252 37.9 pttt 42.11 27.88 0.09 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 128.772 2.829 . . . . 0.0 118.256 165.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -69.82 153.08 95.81 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 124.336 1.054 . . . . 0.0 112.344 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -52.71 -20.33 12.4 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 125.28 3.987 . . . . 0.0 119.754 -168.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.44 1.49 0.29 Allowed Glycine 0 N--CA 1.478 1.487 0 N-CA-C 116.478 1.351 . . . . 0.0 116.478 -178.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -63.95 -27.47 69.16 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -64.23 -39.97 95.07 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.365 1.066 . . . . 0.0 112.988 -165.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.4 m -63.41 -5.44 3.63 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -133.63 12.42 4.08 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.009 1.723 . . . . 0.0 113.847 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -150.06 -46.73 0.13 Allowed 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 84.0 m -113.85 -27.75 7.65 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.639 0.978 . . . . 0.0 113.639 -164.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -123.29 -1.46 8.67 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 127.346 2.258 . . . . 0.0 112.482 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 p . . . . . 0 C--O 1.252 1.204 0 C-N-CA 126.932 2.093 . . . . 0.0 114.072 174.844 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.5 pm0 . . . . . 0 N--CA 1.484 1.274 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.0 m -51.89 136.86 27.65 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.346 1.458 . . . . 0.0 114.223 -170.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.2 t -57.28 151.58 15.66 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.859 1.664 . . . . 0.0 114.16 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -67.11 -15.26 63.6 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 165.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -134.54 -47.92 0.76 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.809 1.244 . . . . 0.0 113.07 -168.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.5 m -81.9 -9.68 59.52 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -167.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.1 34.01 71.57 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.547 1.07 . . . . 0.0 114.238 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -127.12 111.49 21.62 Favored Pre-proline 0 N--CA 1.474 0.75 0 C-N-CA 125.78 1.632 . . . . 0.0 110.658 -165.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -51.69 -32.47 45.4 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 124.98 3.786 . . . . 0.0 116.869 -176.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.69 34.18 1.2 Allowed Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.774 1.654 . . . . 0.0 115.34 -176.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.7 m80 -102.19 158.65 16.02 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.909 1.283 . . . . 0.0 113.525 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -153.33 169.35 23.31 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 128.981 2.912 . . . . 0.0 108.414 -172.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.9 m -56.74 -14.56 3.44 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 169.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.4 p -104.12 -8.47 19.44 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.657 1.983 . . . . 0.0 113.83 176.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -92.97 -41.45 10.0 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.562 1.145 . . . . 0.0 111.293 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.8 m -142.95 175.46 9.82 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 127.173 2.189 . . . . 0.0 110.703 168.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -36.33 60.72 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.022 1.329 . . . . 0.0 113.517 178.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.88 160.16 27.25 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 124.562 1.145 . . . . 0.0 112.922 173.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -73.18 173.22 14.04 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.845 2.363 . . . . 0.0 111.566 160.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -55.24 -12.64 1.03 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 127.35 2.26 . . . . 0.0 115.851 -177.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -56.32 -34.86 41.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 126.052 1.741 . . . . 0.0 112.724 167.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 t -149.63 -153.7 0.51 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.422 1.489 . . . . 0.0 111.062 -169.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -139.49 -17.98 0.99 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.985 2.114 . . . . 0.0 113.012 169.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -155.98 -59.28 0.1 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.315 1.046 . . . . 0.0 113.819 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.6 p -77.92 -29.68 50.2 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -168.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.8 pttm 43.14 26.65 0.09 Allowed 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 118.346 2.721 . . . . 0.0 118.346 165.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -68.17 152.7 96.3 Favored Pre-proline 0 CA--C 1.552 1.052 0 O-C-N 121.147 -0.971 . . . . 0.0 112.537 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -52.45 -18.84 8.78 Favored 'Trans proline' 0 CA--C 1.543 0.934 1 C-N-CA 125.545 4.164 . . . . 0.0 119.943 -167.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.75 1.6 0.27 Allowed Glycine 0 N--CA 1.477 1.403 0 N-CA-C 116.346 1.299 . . . . 0.0 116.346 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -64.16 -29.18 70.31 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.609 1.204 . . . . 0.0 113.939 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -63.29 -40.85 98.53 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.818 1.247 . . . . 0.0 112.672 -165.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.0 m -62.8 -4.8 2.29 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.27 1.428 . . . . 0.0 114.668 175.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -129.99 3.48 4.85 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.623 1.969 . . . . 0.0 113.014 -175.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -152.09 -64.44 0.17 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.111 0.964 . . . . 0.0 112.94 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 82.6 m -91.92 -16.43 26.64 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -164.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -144.83 15.47 1.56 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.056 1.742 . . . . 0.0 113.3 -171.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.9 m . . . . . 0 C--O 1.252 1.228 0 C-N-CA 127.669 2.388 . . . . 0.0 114.357 -178.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 . . . . . 0 N--CA 1.485 1.305 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.1 m -50.8 135.54 23.71 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.051 1.34 . . . . 0.0 113.724 -172.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.7 t -57.57 151.3 17.22 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.964 1.706 . . . . 0.0 114.308 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -66.76 -15.26 63.43 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 165.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -135.55 -47.73 0.69 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.776 1.23 . . . . 0.0 113.065 -169.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.0 m -83.19 -10.16 58.76 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -167.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.86 31.0 70.72 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 124.704 1.145 . . . . 0.0 114.821 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -125.53 117.77 24.77 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.71 1.604 . . . . 0.0 110.751 -169.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -52.11 -32.32 48.76 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 125.053 3.835 . . . . 0.0 116.906 -176.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.65 36.69 1.4 Allowed Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.684 1.611 . . . . 0.0 115.318 -175.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -105.86 153.57 21.76 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.818 1.247 . . . . 0.0 113.447 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.3 mt -155.89 173.88 16.13 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 129.509 3.123 . . . . 0.0 108.143 -175.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.0 m -54.07 -24.83 18.81 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 165.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.9 m -85.61 4.24 37.16 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.765 1.626 . . . . 0.0 113.946 175.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -124.59 -44.01 1.99 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.213 1.405 . . . . 0.0 111.902 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.8 m -143.15 174.58 10.57 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.69 1.996 . . . . 0.0 111.384 168.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -40.28 65.75 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.703 1.201 . . . . 0.0 113.037 177.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.49 159.1 30.95 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 124.645 1.178 . . . . 0.0 112.563 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -72.76 173.78 12.88 Favored 'Trans proline' 0 CA--C 1.544 1.001 0 C-N-CA 123.083 2.522 . . . . 0.0 111.575 161.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -54.6 -14.46 1.33 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.275 2.23 . . . . 0.0 115.602 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.0 t -53.54 -35.49 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.696 1.599 . . . . 0.0 112.684 167.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.5 t -150.23 -152.77 0.45 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.305 1.442 . . . . 0.0 111.154 -170.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -140.25 -20.34 0.86 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.973 2.109 . . . . 0.0 112.895 169.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -156.96 -57.52 0.09 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.496 1.119 . . . . 0.0 113.83 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.4 p -75.59 -30.16 59.52 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -169.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.3 pttt 42.43 27.04 0.07 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 128.676 2.79 . . . . 0.0 118.48 164.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -67.84 153.18 95.61 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 124.198 0.999 . . . . 0.0 112.529 177.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -51.74 -20.93 10.37 Favored 'Trans proline' 0 CA--C 1.542 0.923 1 C-N-CA 125.542 4.161 . . . . 0.0 119.842 -167.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.08 2.38 0.28 Allowed Glycine 0 N--CA 1.478 1.436 0 N-CA-C 116.337 1.295 . . . . 0.0 116.337 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -63.4 -29.79 71.02 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.585 1.192 . . . . 0.0 114.101 -177.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -62.3 -41.37 98.46 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.907 1.283 . . . . 0.0 113.101 -163.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.0 m -62.04 -8.76 5.78 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -127.22 7.57 6.52 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.652 1.981 . . . . 0.0 112.933 -176.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -149.38 -47.46 0.14 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.2 m -111.96 -24.38 9.98 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.15 0.98 . . . . 0.0 113.622 -164.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -125.75 11.59 7.85 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 127.965 2.506 . . . . 0.0 112.173 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.254 1.303 0 C-N-CA 127.573 2.349 . . . . 0.0 114.489 -177.786 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 . . . . . 0 N--CA 1.485 1.306 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 m -51.07 133.99 27.0 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.08 1.352 . . . . 0.0 113.832 -172.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.1 t -55.82 149.55 14.55 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.809 1.643 . . . . 0.0 114.147 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -63.03 -20.21 65.1 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 166.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -131.83 -48.73 0.95 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.087 1.355 . . . . 0.0 113.062 -169.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 m -81.38 -19.62 42.28 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -166.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.49 6.79 56.14 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.988 1.28 . . . . 0.0 115.779 -176.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.92 124.8 72.11 Favored Pre-proline 0 N--CA 1.48 1.048 0 CA-C-N 119.16 1.48 . . . . 0.0 110.587 176.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.88 -32.02 65.33 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 124.718 3.612 . . . . 0.0 115.998 174.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.24 36.42 1.75 Allowed Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.759 1.647 . . . . 0.0 115.209 -174.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -104.37 156.93 17.51 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 122.59 1.186 . . . . 0.0 113.472 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.2 mt -154.96 171.56 19.51 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 129.355 3.062 . . . . 0.0 108.208 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.8 m -56.67 -17.57 9.27 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.109 1.364 . . . . 0.0 114.607 169.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.3 p -96.21 -4.13 43.01 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.502 1.921 . . . . 0.0 113.934 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -106.68 -41.64 5.19 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.284 1.433 . . . . 0.0 111.146 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.2 m -143.72 174.45 10.79 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.585 2.354 . . . . 0.0 110.167 167.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -56.05 -31.96 63.62 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.819 1.247 . . . . 0.0 114.131 178.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.66 161.34 24.94 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 124.396 1.078 . . . . 0.0 113.427 170.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -71.51 169.6 20.54 Favored 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 123.013 2.475 . . . . 0.0 111.395 157.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -56.15 -16.68 5.56 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.449 1.9 . . . . 0.0 116.022 -173.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.37 -33.54 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.55 1.54 . . . . 0.0 112.529 169.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.9 t -148.92 -158.69 0.94 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.963 1.705 . . . . 0.0 110.945 -171.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -130.19 -17.88 3.37 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.143 2.177 . . . . 0.0 112.592 165.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -157.22 -61.68 0.09 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.705 1.202 . . . . 0.0 113.455 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.28 -32.61 74.12 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.815 1.646 . . . . 0.0 115.319 -169.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? 44.42 20.6 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 119.04 2.978 . . . . 0.0 119.04 170.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -65.26 151.66 93.48 Favored Pre-proline 0 CA--C 1.554 1.099 0 O-C-N 121.091 -1.006 . . . . 0.0 112.405 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -51.73 -23.84 16.54 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 125.19 3.926 . . . . 0.0 119.466 -166.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.28 4.06 0.58 Allowed Glycine 0 CA--C 1.536 1.385 0 N-CA-C 116.005 1.162 . . . . 0.0 116.005 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -64.2 -27.16 68.88 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -61.77 -41.73 98.08 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.954 0.902 . . . . 0.0 112.187 -169.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.6 m -60.38 -6.46 1.55 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -133.99 12.33 3.95 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.186 1.794 . . . . 0.0 114.035 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -150.34 -51.6 0.14 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 176.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.5 m -107.79 -3.33 19.15 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.926 1.29 . . . . 0.0 113.622 -168.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.8 tpp85 -152.64 19.37 0.62 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 127.195 2.198 . . . . 0.0 113.052 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.6 m . . . . . 0 C--O 1.251 1.16 0 C-N-CA 127.001 2.12 . . . . 0.0 114.088 -179.206 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 m -50.18 136.31 19.7 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.06 1.344 . . . . 0.0 113.717 -173.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.4 t -56.88 151.34 14.74 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.471 1.508 . . . . 0.0 114.193 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -66.78 -14.9 63.16 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 165.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -135.54 -47.79 0.69 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.909 1.284 . . . . 0.0 113.059 -169.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.6 m -82.88 -8.93 59.53 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -166.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.86 33.55 74.0 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.491 1.043 . . . . 0.0 114.493 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -127.47 111.29 21.03 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 125.821 1.648 . . . . 0.0 110.701 -166.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -50.63 -32.56 36.12 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 125.258 3.972 . . . . 0.0 117.046 -176.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.64 33.27 1.2 Allowed Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.773 1.654 . . . . 0.0 115.365 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -101.82 158.44 16.12 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.685 1.194 . . . . 0.0 113.436 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.5 mt -154.32 171.97 18.42 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 129.185 2.994 . . . . 0.0 108.248 -175.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.5 p -57.69 -18.13 19.08 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 167.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.8 p -93.0 -5.9 49.57 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.161 1.784 . . . . 0.0 114.085 173.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -104.72 -41.89 5.54 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.907 1.283 . . . . 0.0 111.562 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.4 m -142.55 174.82 10.29 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.045 2.138 . . . . 0.0 110.862 167.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -36.7 53.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.881 1.272 . . . . 0.0 113.41 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.19 159.47 28.91 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 124.866 1.267 . . . . 0.0 112.295 172.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -71.72 173.79 12.09 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.844 2.362 . . . . 0.0 111.178 159.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -54.58 -12.63 0.77 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 127.657 2.383 . . . . 0.0 115.619 -178.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.1 t -54.85 -37.28 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 126.3 1.84 . . . . 0.0 112.84 167.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.7 t -149.44 -157.24 0.8 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.589 1.555 . . . . 0.0 110.832 -170.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -137.85 -10.32 1.57 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.694 1.997 . . . . 0.0 112.865 168.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -158.65 -62.21 0.08 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.305 1.442 . . . . 0.0 112.624 -171.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -36.29 58.91 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.63 1.572 . . . . 0.0 113.671 -164.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.7 pttm 44.08 24.16 0.07 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 128.251 2.62 . . . . 0.0 117.686 171.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -70.23 150.77 95.97 Favored Pre-proline 0 CA--C 1.551 0.991 0 O-C-N 121.156 -0.965 . . . . 0.0 112.061 176.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_exo -52.46 -18.83 8.79 Favored 'Trans proline' 0 CA--C 1.543 0.93 1 C-N-CA 125.559 4.172 . . . . 0.0 119.906 -167.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -155.14 7.39 0.3 Allowed Glycine 0 CA--C 1.535 1.302 0 N-CA-C 116.246 1.258 . . . . 0.0 116.246 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -67.51 -30.81 70.58 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 118.863 1.331 . . . . 0.0 113.832 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -62.03 -41.78 98.47 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.237 1.415 . . . . 0.0 113.41 -163.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.1 m -63.97 -4.84 3.71 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -128.5 8.43 5.91 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.124 1.769 . . . . 0.0 113.331 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -150.9 -57.97 0.17 Allowed 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 67.2 m -101.43 -15.48 17.17 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -164.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.77 15.72 1.77 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.217 1.807 . . . . 0.0 113.041 -173.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 C--O 1.253 1.273 0 C-N-CA 127.689 2.395 . . . . 0.0 114.396 -179.156 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 110.532 -0.173 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.9 m -51.33 137.72 22.63 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.639 1.575 . . . . 0.0 114.611 -168.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.9 t -57.54 151.35 17.03 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.978 1.711 . . . . 0.0 114.293 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -67.61 -13.89 62.47 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 165.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -135.05 -48.32 0.73 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.84 1.256 . . . . 0.0 113.103 -169.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.7 m -81.81 -9.82 59.51 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -166.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.3 33.45 70.63 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.377 0.989 . . . . 0.0 114.337 -178.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -126.8 112.27 22.35 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 125.85 1.66 . . . . 0.0 110.458 -166.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -51.61 -31.75 41.57 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 124.931 3.754 . . . . 0.0 116.757 -177.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.5 38.92 1.23 Allowed Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.94 1.733 . . . . 0.0 115.234 -176.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -109.87 157.2 19.47 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.171 1.388 . . . . 0.0 113.574 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.4 mt -155.8 172.45 18.31 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 129.348 3.059 . . . . 0.0 108.476 -175.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.6 m -55.01 -18.4 5.1 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.424 1.489 . . . . 0.0 114.85 169.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.3 p -97.26 -6.3 34.82 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.506 1.922 . . . . 0.0 114.037 176.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -102.11 -40.84 6.64 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.735 1.214 . . . . 0.0 111.705 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.1 m -143.19 174.87 10.33 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.863 2.065 . . . . 0.0 111.069 167.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.42 -35.56 52.29 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.021 1.328 . . . . 0.0 113.49 178.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.49 159.79 28.18 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 124.424 1.089 . . . . 0.0 113.064 171.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -72.39 170.21 19.82 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.909 2.406 . . . . 0.0 111.306 158.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -53.06 -20.23 3.44 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.942 2.097 . . . . 0.0 115.495 -176.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.1 t -51.54 -32.49 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 126.317 1.847 . . . . 0.0 112.934 170.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 t -149.35 -156.78 0.75 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.056 1.743 . . . . 0.0 110.911 -171.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -136.76 -19.91 1.33 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.177 2.191 . . . . 0.0 113.02 169.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -156.0 -56.6 0.09 Allowed 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.25 -32.35 62.92 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -170.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 pttm 43.19 24.88 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 118.724 2.861 . . . . 0.0 118.724 165.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -67.76 152.52 96.26 Favored Pre-proline 0 CA--C 1.553 1.07 0 O-C-N 121.024 -1.048 . . . . 0.0 112.446 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -52.35 -20.31 11.25 Favored 'Trans proline' 0 CA--C 1.543 0.965 1 C-N-CA 125.371 4.047 . . . . 0.0 119.56 -168.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.4 2.39 0.4 Allowed Glycine 0 CA--C 1.535 1.317 0 N-CA-C 116.277 1.271 . . . . 0.0 116.277 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -62.93 -29.92 71.16 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.693 1.247 . . . . 0.0 113.848 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -61.85 -40.36 95.06 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.335 1.054 . . . . 0.0 112.187 -168.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.7 m -59.43 -7.53 1.41 Allowed 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 176.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -135.21 14.6 3.52 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.087 1.755 . . . . 0.0 114.072 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -149.66 -54.12 0.16 Allowed 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 175.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 67.9 m -106.13 -3.76 21.09 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.971 1.309 . . . . 0.0 113.655 -168.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -153.19 20.38 0.57 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 127.124 2.169 . . . . 0.0 113.011 -176.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.253 1.261 0 C-N-CA 127.103 2.161 . . . . 0.0 114.214 -179.429 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.0 m -50.63 136.84 20.79 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.736 1.215 . . . . 0.0 113.417 -174.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.5 t -57.61 151.11 17.77 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.429 1.492 . . . . 0.0 114.055 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -66.38 -14.8 62.65 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 165.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -136.08 -47.97 0.66 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.839 1.256 . . . . 0.0 113.141 -169.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.7 m -82.78 -9.08 59.51 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -166.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.02 33.28 73.52 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.458 1.028 . . . . 0.0 114.479 -178.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -126.53 112.35 23.02 Favored Pre-proline 0 CA--C 1.545 0.762 0 C-N-CA 125.86 1.664 . . . . 0.0 110.646 -166.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -51.39 -32.84 43.95 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 125.098 3.865 . . . . 0.0 116.937 -177.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.14 32.8 1.31 Allowed Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.744 1.64 . . . . 0.0 115.418 -176.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -100.53 157.67 16.49 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.742 1.217 . . . . 0.0 113.389 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.3 mt -154.55 171.56 19.22 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 128.824 2.85 . . . . 0.0 108.628 -173.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.7 m -55.29 -13.5 1.38 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.075 1.75 . . . . 0.0 115.523 171.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.8 p -108.84 -8.26 15.34 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.58 1.952 . . . . 0.0 113.747 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -92.55 -39.05 11.57 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.644 1.178 . . . . 0.0 111.278 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.1 m -142.79 176.09 9.32 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.182 2.193 . . . . 0.0 110.766 166.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -35.7 61.29 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.638 1.175 . . . . 0.0 113.295 176.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.81 159.93 27.43 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 124.759 1.224 . . . . 0.0 112.964 172.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.84 173.9 12.74 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 123.07 2.513 . . . . 0.0 111.46 159.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -53.96 -13.47 0.78 Allowed 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 128.019 2.528 . . . . 0.0 115.776 -178.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.1 -35.55 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 126.008 1.723 . . . . 0.0 112.723 167.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.4 t -150.04 -154.17 0.54 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 125.384 1.474 . . . . 0.0 111.181 -168.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -137.22 -20.9 1.21 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.621 1.968 . . . . 0.0 112.969 169.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -157.15 -55.23 0.08 Allowed 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.38 -31.25 62.3 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -170.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 pttm 42.82 26.78 0.08 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 128.473 2.709 . . . . 0.0 118.303 166.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -67.61 151.73 96.91 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 124.002 0.921 . . . . 0.0 112.357 177.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -51.8 -20.9 10.54 Favored 'Trans proline' 0 C--N 1.354 0.868 1 C-N-CA 125.496 4.131 . . . . 0.0 119.806 -167.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.47 8.72 0.38 Allowed Glycine 0 N--CA 1.475 1.293 0 N-CA-C 116.143 1.217 . . . . 0.0 116.143 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -68.01 -31.35 70.97 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.745 1.273 . . . . 0.0 113.723 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -62.16 -40.25 95.37 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.191 1.396 . . . . 0.0 113.273 -163.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.7 m -63.47 -6.14 4.63 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -128.09 8.08 6.1 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.183 1.793 . . . . 0.0 113.231 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -149.71 -65.88 0.21 Allowed 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.009 0.822 . . . . 0.0 112.923 177.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 73.5 m -91.09 -16.8 27.24 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -165.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.14 15.96 1.89 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.999 1.719 . . . . 0.0 113.326 -172.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.252 1.233 0 C-N-CA 127.474 2.309 . . . . 0.0 114.361 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.4 m -50.46 135.11 22.92 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.853 1.261 . . . . 0.0 113.61 -172.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.0 t -56.93 151.13 15.29 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.59 1.556 . . . . 0.0 114.445 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -66.41 -16.1 63.82 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 165.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -136.19 -47.65 0.65 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.844 1.258 . . . . 0.0 113.046 -168.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 54.0 m -82.4 -9.82 59.3 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -167.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.51 31.53 70.83 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.751 1.167 . . . . 0.0 114.676 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -125.58 115.97 24.94 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 125.779 1.631 . . . . 0.0 110.723 -167.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -51.82 -33.07 49.16 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 125.084 3.856 . . . . 0.0 116.891 -177.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.24 36.85 1.32 Allowed Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.937 1.732 . . . . 0.0 115.345 -175.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -106.63 156.35 18.7 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.902 1.281 . . . . 0.0 113.253 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.0 mt -155.43 173.66 16.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 129.434 3.094 . . . . 0.0 108.121 -176.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.1 p -57.85 -19.76 31.41 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 167.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.5 p -87.85 -3.44 58.94 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.184 1.794 . . . . 0.0 114.229 172.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -114.26 -40.35 3.69 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.307 1.443 . . . . 0.0 111.797 -175.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.4 m -143.58 172.44 12.8 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.882 2.073 . . . . 0.0 110.767 168.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.89 -34.72 60.3 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.321 1.448 . . . . 0.0 113.78 176.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.81 160.26 27.39 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 124.802 1.241 . . . . 0.0 112.526 171.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -73.44 175.3 10.82 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 123.053 2.502 . . . . 0.0 111.399 159.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -53.27 -14.47 0.72 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 127.84 2.456 . . . . 0.0 115.66 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.1 t -55.1 -36.2 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.844 1.658 . . . . 0.0 112.722 167.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 t -149.77 -154.02 0.53 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.47 1.508 . . . . 0.0 111.056 -169.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -139.1 -18.55 1.01 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.91 2.084 . . . . 0.0 113.054 169.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -156.61 -58.98 0.09 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.366 1.067 . . . . 0.0 113.798 -177.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -76.1 -30.04 58.13 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -169.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 pttm 43.27 26.52 0.1 Allowed 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 118.187 2.662 . . . . 0.0 118.187 166.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -68.24 152.93 96.18 Favored Pre-proline 0 CA--C 1.551 0.993 0 O-C-N 121.126 -0.984 . . . . 0.0 112.592 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -52.4 -19.79 10.4 Favored 'Trans proline' 0 CA--C 1.542 0.906 1 C-N-CA 125.495 4.13 . . . . 0.0 119.934 -167.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.1 2.1 0.27 Allowed Glycine 0 CA--C 1.537 1.437 0 N-CA-C 116.318 1.287 . . . . 0.0 116.318 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -64.23 -27.67 69.22 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.553 1.177 . . . . 0.0 114.146 -177.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -63.78 -41.74 97.88 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.586 1.155 . . . . 0.0 112.628 -167.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.9 m -63.88 -5.07 3.83 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -134.17 11.3 3.87 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.119 1.767 . . . . 0.0 113.967 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -149.66 -66.98 0.21 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.733 0.813 . . . . 0.0 112.51 175.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 80.6 m -90.21 -16.28 29.74 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -166.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.85 15.77 1.76 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.005 1.722 . . . . 0.0 113.326 -171.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.251 1.176 0 C-N-CA 127.625 2.37 . . . . 0.0 114.282 -179.536 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 85.1 m -120.21 144.26 47.82 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.127 1.771 . . . . 0.0 109.511 -177.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.8 t -64.3 149.76 47.48 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -172.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -70.27 -17.16 63.1 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 165.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -137.47 -49.44 0.6 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.519 1.128 . . . . 0.0 113.288 -166.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.8 m -72.4 -22.02 61.18 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.655 1.182 . . . . 0.0 113.067 -174.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.63 5.6 45.59 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 125.169 1.366 . . . . 0.0 114.941 -172.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.9 150.13 49.51 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.338 1.455 . . . . 0.0 111.923 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.97 -169.23 0.43 Allowed 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 124.077 3.185 . . . . 0.0 110.729 161.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.1 29.31 72.43 Favored Glycine 0 CA--C 1.535 1.301 0 O-C-N 120.869 -1.144 . . . . 0.0 113.607 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -113.18 144.94 41.82 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.269 1.428 . . . . 0.0 112.026 -173.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.1 mt -155.94 173.49 16.7 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 128.481 2.712 . . . . 0.0 108.789 -171.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 m -54.46 -20.29 7.31 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.52 1.528 . . . . 0.0 114.607 168.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.1 p -93.3 -4.1 52.35 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.493 1.917 . . . . 0.0 114.208 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -109.59 -41.65 4.51 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.338 1.455 . . . . 0.0 111.389 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.3 m -143.24 170.86 14.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.406 2.282 . . . . 0.0 110.564 174.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -56.15 -31.6 63.51 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.805 1.242 . . . . 0.0 113.849 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.84 160.85 29.08 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.122 1.369 . . . . 0.0 111.827 166.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -72.39 174.6 11.29 Favored 'Trans proline' 0 CA--C 1.547 1.139 0 C-N-CA 122.766 2.311 . . . . 0.0 111.413 159.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -53.7 -13.12 0.61 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 127.676 2.39 . . . . 0.0 115.953 -178.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -55.78 -36.41 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 126.009 1.724 . . . . 0.0 112.74 167.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.4 t -149.73 -152.22 0.43 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.519 1.528 . . . . 0.0 110.92 -169.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -139.46 -21.65 0.91 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.75 2.02 . . . . 0.0 113.006 169.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -156.08 -55.99 0.09 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.2 p -76.25 -31.14 58.17 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -170.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.5 pttm 42.67 27.2 0.09 Allowed 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 118.453 2.76 . . . . 0.0 118.453 165.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -68.12 153.23 95.71 Favored Pre-proline 0 CA--C 1.553 1.076 0 O-C-N 121.116 -0.99 . . . . 0.0 112.546 177.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -52.34 -19.29 9.29 Favored 'Trans proline' 0 CA--C 1.544 0.993 1 C-N-CA 125.555 4.17 . . . . 0.0 119.983 -167.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.7 1.09 0.26 Allowed Glycine 0 CA--C 1.536 1.37 0 N-CA-C 116.325 1.29 . . . . 0.0 116.325 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -63.54 -28.0 69.65 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 118.663 1.231 . . . . 0.0 113.956 -177.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -62.42 -41.36 98.64 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.498 1.119 . . . . 0.0 112.221 -170.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.3 m -63.99 -3.75 2.83 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.501 1.52 . . . . 0.0 114.976 176.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -135.11 9.63 3.51 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.907 1.683 . . . . 0.0 114.348 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -150.52 -59.14 0.18 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 79.6 m -100.26 -17.69 17.2 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -165.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.32 3.79 1.96 Allowed 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 126.17 1.788 . . . . 0.0 113.398 -176.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 C--O 1.252 1.195 0 C-N-CA 127.172 2.189 . . . . 0.0 114.021 174.395 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.9 m -51.04 132.96 27.85 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.341 1.457 . . . . 0.0 114.241 -170.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.3 t -53.58 147.28 11.43 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.441 1.497 . . . . 0.0 113.973 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.41 -15.21 60.15 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 167.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -140.2 -40.54 0.43 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -172.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.9 m -75.54 -15.9 60.33 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -177.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.87 32.39 74.76 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.238 0.923 . . . . 0.0 114.339 -175.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -123.28 114.78 28.97 Favored Pre-proline 0 N--CA 1.475 0.806 0 C-N-CA 125.804 1.642 . . . . 0.0 110.948 -167.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 99.6 Cg_exo -51.29 -34.18 48.48 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 125.239 3.96 . . . . 0.0 117.112 -175.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.0 31.47 1.31 Allowed Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.623 1.582 . . . . 0.0 115.509 -175.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -98.46 156.3 16.83 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 122.514 1.149 . . . . 0.0 113.504 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.2 mt -153.86 172.3 17.59 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 128.757 2.823 . . . . 0.0 108.735 -173.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.2 m -54.45 -12.58 0.72 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.623 1.969 . . . . 0.0 116.042 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.0 m -120.27 2.27 10.83 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.841 1.657 . . . . 0.0 113.377 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -93.28 -42.43 9.33 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.282 1.033 . . . . 0.0 110.803 174.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.1 m -142.06 178.13 7.74 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.568 2.347 . . . . 0.0 109.997 164.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -36.72 63.58 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.579 1.152 . . . . 0.0 113.465 178.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.73 160.49 25.4 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 124.587 1.155 . . . . 0.0 113.303 173.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -71.89 169.48 21.14 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 122.959 2.44 . . . . 0.0 111.186 158.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -59.49 -4.75 0.66 Allowed 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 116.693 2.108 . . . . 0.0 116.693 -177.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.4 t -56.52 -34.6 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.317 1.447 . . . . 0.0 111.999 163.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 t -148.83 -155.55 0.64 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.878 1.671 . . . . 0.0 111.018 -170.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -135.58 -19.82 1.61 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.563 1.945 . . . . 0.0 112.992 168.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -157.16 -55.45 0.08 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.52 -30.37 61.76 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -170.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.2 pttm 42.74 26.63 0.07 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 118.468 2.766 . . . . 0.0 118.468 166.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -67.73 152.09 96.61 Favored Pre-proline 0 CA--C 1.552 1.038 0 O-C-N 121.149 -0.969 . . . . 0.0 112.449 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -51.75 -20.71 10.03 Favored 'Trans proline' 0 C--N 1.356 0.936 1 C-N-CA 125.493 4.129 . . . . 0.0 119.901 -167.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.25 4.09 0.33 Allowed Glycine 0 N--CA 1.478 1.448 0 N-CA-C 116.299 1.28 . . . . 0.0 116.299 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -65.43 -30.13 70.9 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.767 1.284 . . . . 0.0 113.951 -177.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -61.82 -39.29 91.26 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.026 1.33 . . . . 0.0 113.103 -164.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.2 m -62.93 -5.53 2.99 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.188 1.395 . . . . 0.0 114.725 176.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -126.6 3.67 6.82 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.221 1.809 . . . . 0.0 113.434 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -150.47 -63.56 0.2 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.657 0.783 . . . . 0.0 112.94 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 66.6 m -91.62 -17.54 25.4 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -165.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.99 15.58 1.91 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.077 1.751 . . . . 0.0 113.292 -171.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--O 1.253 1.24 0 C-N-CA 127.537 2.335 . . . . 0.0 114.32 -179.865 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 . . . . . 0 N--CA 1.485 1.317 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 m -51.31 135.32 26.87 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.077 1.351 . . . . 0.0 113.921 -171.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.9 t -55.53 151.28 10.72 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.872 1.669 . . . . 0.0 114.065 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -65.57 -15.8 63.07 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 165.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -136.07 -49.75 0.69 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.895 1.278 . . . . 0.0 113.145 -168.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.3 m -81.16 -19.28 43.76 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -166.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.12 5.75 54.53 Favored Glycine 0 CA--C 1.541 1.668 0 C-N-CA 125.026 1.298 . . . . 0.0 115.866 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.31 123.6 74.83 Favored Pre-proline 0 N--CA 1.479 1.024 0 CA-C-N 119.196 1.498 . . . . 0.0 110.682 176.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -53.9 -31.78 64.47 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 124.725 3.617 . . . . 0.0 115.874 174.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.45 32.68 1.6 Allowed Glycine 0 CA--C 1.535 1.341 0 C-N-CA 125.775 1.655 . . . . 0.0 115.313 -175.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -96.9 156.25 16.43 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 122.538 1.161 . . . . 0.0 113.41 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.7 mt -153.12 170.5 20.36 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 128.797 2.839 . . . . 0.0 108.624 -173.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.2 m -55.71 -12.99 1.44 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.206 1.802 . . . . 0.0 115.689 173.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.7 p -111.48 -8.95 14.24 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.434 1.894 . . . . 0.0 113.769 177.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -86.74 -41.55 14.04 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.413 1.085 . . . . 0.0 110.861 176.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.9 m -144.3 175.29 10.2 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.849 2.459 . . . . 0.0 110.108 168.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -55.88 -33.68 64.8 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.099 1.36 . . . . 0.0 113.941 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.71 161.02 25.36 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 124.365 1.066 . . . . 0.0 113.325 172.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -73.16 174.2 12.43 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 123.247 2.632 . . . . 0.0 111.647 158.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -55.62 -10.42 0.68 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 127.134 2.173 . . . . 0.0 115.802 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.8 t -56.67 -36.06 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.686 1.594 . . . . 0.0 112.344 166.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.2 t -149.31 -152.8 0.46 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.511 1.524 . . . . 0.0 111.051 -169.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -137.91 -22.06 1.08 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.744 2.017 . . . . 0.0 112.852 169.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -157.27 -53.9 0.08 Allowed 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.09 -31.45 62.83 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -170.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 pttm 42.84 25.89 0.06 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 118.509 2.781 . . . . 0.0 118.509 166.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -67.22 152.56 95.98 Favored Pre-proline 0 CA--C 1.551 1.017 0 O-C-N 121.17 -0.956 . . . . 0.0 112.45 177.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -52.23 -19.13 8.67 Favored 'Trans proline' 0 CA--C 1.544 0.993 1 C-N-CA 125.578 4.185 . . . . 0.0 120.009 -167.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.64 -0.01 0.24 Allowed Glycine 0 CA--C 1.538 1.492 0 N-CA-C 116.28 1.272 . . . . 0.0 116.28 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -62.77 -29.2 70.52 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.691 1.246 . . . . 0.0 114.082 -177.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -61.53 -41.75 97.81 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.042 1.337 . . . . 0.0 112.494 -167.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.5 m -62.02 -5.74 2.41 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.229 1.412 . . . . 0.0 114.725 175.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -128.1 2.2 5.85 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.69 1.996 . . . . 0.0 113.444 -176.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -151.29 -56.2 0.15 Allowed 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 82.0 m -101.3 -18.65 16.0 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -165.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -139.4 4.3 2.18 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.702 2.001 . . . . 0.0 112.963 -176.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.2 p . . . . . 0 C--O 1.254 1.327 0 C-N-CA 127.29 2.236 . . . . 0.0 113.935 174.462 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 91.0 m -125.29 142.87 51.25 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.007 1.723 . . . . 0.0 109.722 -176.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 t -63.65 149.25 46.94 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 -172.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -67.42 -22.3 65.53 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 166.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -139.71 -39.75 0.46 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -167.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.4 m -69.52 -22.37 63.59 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.079 0.952 . . . . 0.0 113.056 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.5 2.27 20.16 Favored Glycine 0 CA--C 1.542 1.72 0 C-N-CA 125.267 1.413 . . . . 0.0 114.864 -170.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -83.67 146.22 49.28 Favored Pre-proline 0 N--CA 1.472 0.651 0 C-N-CA 125.63 1.572 . . . . 0.0 112.345 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -70.23 -171.1 0.47 Allowed 'Trans proline' 0 CA--C 1.545 1.047 0 C-N-CA 123.739 2.959 . . . . 0.0 111.015 161.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.07 29.77 73.69 Favored Glycine 0 CA--C 1.535 1.283 0 O-C-N 120.848 -1.157 . . . . 0.0 113.538 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -113.81 146.16 40.37 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 125.256 1.423 . . . . 0.0 112.145 -173.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.1 mt -155.56 173.38 16.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 128.429 2.691 . . . . 0.0 108.932 -171.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.8 m -54.95 -20.27 8.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.45 1.5 . . . . 0.0 114.624 168.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.7 p -92.74 -5.4 51.32 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.412 1.885 . . . . 0.0 114.126 175.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -107.36 -41.55 5.06 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.252 1.421 . . . . 0.0 111.294 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.7 m -143.8 171.32 14.38 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.452 2.301 . . . . 0.0 110.674 174.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -55.03 -32.21 61.67 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.949 1.299 . . . . 0.0 113.879 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.72 160.0 29.44 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 124.779 1.232 . . . . 0.0 111.956 167.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -72.38 173.85 12.48 Favored 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 122.794 2.329 . . . . 0.0 111.233 158.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -55.35 -12.07 0.96 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 127.112 2.165 . . . . 0.0 115.918 -176.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.1 t -55.31 -36.2 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.826 1.65 . . . . 0.0 112.703 167.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.5 t -150.26 -153.97 0.52 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.376 1.47 . . . . 0.0 111.271 -169.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -138.49 -19.2 1.08 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.853 2.061 . . . . 0.0 112.975 169.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -155.38 -59.01 0.1 Allowed 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -176.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.9 p -79.29 -28.74 42.27 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -169.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.4 pttm 42.87 28.56 0.14 Allowed 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 118.126 2.639 . . . . 0.0 118.126 164.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -67.93 152.18 96.59 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 123.949 0.9 . . . . 0.0 112.385 177.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -51.99 -21.8 13.07 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 125.289 3.993 . . . . 0.0 119.696 -167.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.71 8.59 0.45 Allowed Glycine 0 N--CA 1.477 1.367 0 N-CA-C 116.024 1.17 . . . . 0.0 116.024 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -67.66 -30.77 70.41 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.707 1.253 . . . . 0.0 113.658 -178.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -62.62 -40.64 97.61 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.873 1.269 . . . . 0.0 113.34 -161.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.7 m -63.31 -5.25 3.24 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 176.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -128.03 7.79 6.1 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.273 1.829 . . . . 0.0 113.282 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -150.2 -62.86 0.21 Allowed 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.155 0.889 . . . . 0.0 113.197 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 85.0 m -95.35 -15.87 22.78 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 -165.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.0 15.49 1.91 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.127 1.771 . . . . 0.0 113.259 -172.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.255 1.385 0 C-N-CA 127.632 2.373 . . . . 0.0 114.382 -179.575 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.713 0.292 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 93.8 m -123.4 145.55 48.69 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.652 1.981 . . . . 0.0 109.427 -175.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 t -64.74 150.67 46.9 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -175.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -70.35 -18.14 63.07 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 165.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -140.7 -43.63 0.4 Allowed 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -166.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.0 m -69.2 -21.49 63.95 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.134 0.973 . . . . 0.0 113.474 -177.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.87 23.7 71.09 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 124.225 0.917 . . . . 0.0 113.953 -172.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -111.73 146.83 35.53 Favored Pre-proline 0 N--CA 1.475 0.812 0 C-N-CA 125.829 1.652 . . . . 0.0 111.936 -174.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -72.28 -168.98 0.42 Allowed 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 123.968 3.112 . . . . 0.0 110.638 163.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 61.47 29.33 71.39 Favored Glycine 0 CA--C 1.535 1.285 0 O-C-N 120.925 -1.11 . . . . 0.0 113.136 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -115.65 150.94 35.93 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.358 1.463 . . . . 0.0 111.681 -173.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.3 mt -153.78 171.2 19.27 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.921 2.488 . . . . 0.0 108.844 -173.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 m -57.01 -3.46 0.12 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.303 2.241 . . . . 0.0 115.886 171.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.0 p -122.25 -13.22 8.15 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.009 2.124 . . . . 0.0 113.662 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -78.13 -39.46 41.15 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.02 0.928 . . . . 0.0 110.644 170.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.9 m -139.88 174.37 10.58 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.629 2.372 . . . . 0.0 110.263 173.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -34.07 57.22 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.539 1.135 . . . . 0.0 113.236 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.94 160.02 30.11 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.661 1.584 . . . . 0.0 111.075 167.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.18 175.71 9.53 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 122.61 2.207 . . . . 0.0 111.287 159.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -53.1 -14.45 0.64 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 127.483 2.313 . . . . 0.0 115.602 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.9 t -54.13 -37.12 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.14 1.776 . . . . 0.0 112.955 167.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.6 t -149.61 -152.28 0.43 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.436 1.494 . . . . 0.0 111.083 -169.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -141.51 -23.35 0.73 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.85 2.06 . . . . 0.0 112.972 170.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -155.28 -54.69 0.09 Allowed 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.201 1.185 . . . . 0.0 114.201 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.1 p -76.86 -30.02 56.1 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -170.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.0 pttm 43.6 26.75 0.13 Allowed 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 118.359 2.725 . . . . 0.0 118.359 164.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -68.42 152.71 96.42 Favored Pre-proline 0 CA--C 1.552 1.033 0 O-C-N 121.151 -0.968 . . . . 0.0 112.576 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -52.48 -19.57 10.23 Favored 'Trans proline' 0 CA--C 1.544 1.0 1 C-N-CA 125.553 4.168 . . . . 0.0 119.901 -167.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.66 1.63 0.28 Allowed Glycine 0 N--CA 1.478 1.442 0 N-CA-C 116.317 1.287 . . . . 0.0 116.317 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -63.51 -28.52 70.01 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.611 1.206 . . . . 0.0 114.213 -177.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -61.4 -42.74 99.21 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.85 1.26 . . . . 0.0 112.596 -170.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.5 m -64.47 -6.09 6.65 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -129.98 7.07 5.08 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.959 1.704 . . . . 0.0 113.795 176.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -147.18 -88.18 0.09 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.655 1.182 . . . . 0.0 110.871 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.1 m -69.41 -18.49 63.76 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -166.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.89 13.74 2.68 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.959 1.704 . . . . 0.0 113.158 -174.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--O 1.254 1.338 0 C-N-CA 126.791 2.037 . . . . 0.0 112.832 178.137 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.6 m -51.63 134.08 30.18 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.244 1.418 . . . . 0.0 114.102 -171.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.0 t -54.51 151.53 7.75 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.996 1.718 . . . . 0.0 114.104 178.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -61.7 -23.68 66.27 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 166.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -131.57 -47.06 0.97 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.094 1.358 . . . . 0.0 113.272 -168.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.3 m -77.59 -10.1 59.31 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -167.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.98 33.15 72.69 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.64 1.114 . . . . 0.0 114.179 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -126.25 112.64 23.7 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 125.761 1.624 . . . . 0.0 110.579 -166.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -51.99 -32.88 50.05 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 124.867 3.711 . . . . 0.0 116.632 -176.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.64 32.59 1.2 Allowed Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.747 1.642 . . . . 0.0 115.472 -176.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -100.25 158.22 16.03 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.698 1.237 . . . . 0.0 113.366 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -152.1 169.71 21.73 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 129.686 3.194 . . . . 0.0 107.58 -177.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 m -57.71 -11.84 2.48 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 172.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.2 p -102.8 -10.97 18.66 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.64 1.976 . . . . 0.0 113.966 175.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -90.57 -43.91 9.9 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.936 1.294 . . . . 0.0 110.856 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 55.7 m -140.73 168.72 19.13 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.221 2.609 . . . . 0.0 108.297 162.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -27.8 52.42 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -177.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.33 153.06 19.19 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 124.563 1.145 . . . . 0.0 112.784 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.0 173.18 14.92 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 123.752 2.968 . . . . 0.0 111.674 163.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -57.02 -15.06 4.31 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 -176.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.2 t -52.38 -32.46 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 125.652 1.581 . . . . 0.0 112.451 168.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.1 t -146.64 -159.99 1.1 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.248 1.819 . . . . 0.0 110.79 -173.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -137.24 -7.13 1.78 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.215 2.206 . . . . 0.0 113.074 168.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -162.98 -61.45 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.087 1.355 . . . . 0.0 113.267 -178.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.75 -33.91 66.67 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.391 1.876 . . . . 0.0 114.981 -167.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.8 pttm 44.05 22.84 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 128.499 2.72 . . . . 0.0 118.209 169.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -67.82 151.99 96.72 Favored Pre-proline 0 CA--C 1.552 1.022 0 O-C-N 121.091 -1.005 . . . . 0.0 112.153 177.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -51.45 -23.91 15.33 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 125.246 3.964 . . . . 0.0 119.492 -166.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.49 5.94 0.55 Allowed Glycine 0 N--CA 1.476 1.347 0 N-CA-C 115.942 1.137 . . . . 0.0 115.942 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -64.05 -30.64 71.7 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.602 1.201 . . . . 0.0 113.827 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -61.02 -41.99 97.6 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.685 1.194 . . . . 0.0 112.619 -167.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.5 m -60.72 -5.96 1.51 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 175.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.12 6.61 5.95 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.815 2.046 . . . . 0.0 113.134 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -151.21 -55.46 0.15 Allowed 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 60.3 m -100.82 -4.47 27.89 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.246 1.418 . . . . 0.0 113.769 -168.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -152.09 18.96 0.67 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.017 2.127 . . . . 0.0 113.139 -175.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.3 m . . . . . 0 C--O 1.254 1.313 0 C-N-CA 126.868 2.067 . . . . 0.0 114.116 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 m -52.37 135.31 33.32 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.014 1.325 . . . . 0.0 113.96 -170.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.9 t -56.24 147.09 21.66 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.177 1.391 . . . . 0.0 113.814 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -13.88 56.2 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 166.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -134.79 -50.24 0.77 Allowed 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.975 1.31 . . . . 0.0 113.015 -171.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.0 m -80.98 -20.0 42.83 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -167.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.35 5.78 55.81 Favored Glycine 0 CA--C 1.542 1.743 0 C-N-CA 125.062 1.315 . . . . 0.0 116.025 -177.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.13 121.67 77.22 Favored Pre-proline 0 N--CA 1.481 1.083 0 CA-C-N 119.2 1.5 . . . . 0.0 110.77 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -54.25 -32.71 72.31 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 124.481 3.454 . . . . 0.0 115.946 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.01 20.32 3.07 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.571 1.558 . . . . 0.0 115.573 -176.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -79.74 161.94 25.45 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 122.536 1.16 . . . . 0.0 113.42 173.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -150.34 171.25 17.28 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 128.266 2.626 . . . . 0.0 109.054 -174.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.1 t -55.07 -15.4 2.1 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.029 1.731 . . . . 0.0 115.159 174.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.0 p -117.47 -8.04 11.05 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.601 1.961 . . . . 0.0 114.334 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -77.56 -40.12 43.52 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.016 0.826 . . . . 0.0 111.149 176.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.1 m -140.04 178.56 7.18 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.988 2.515 . . . . 0.0 109.39 164.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.96 -38.83 62.47 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.268 1.027 . . . . 0.0 113.26 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.53 160.18 29.54 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 124.998 1.319 . . . . 0.0 112.529 173.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -71.56 170.63 18.08 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 122.933 2.422 . . . . 0.0 111.119 159.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -58.57 -6.08 0.66 Allowed 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 116.668 2.099 . . . . 0.0 116.668 -177.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.4 t -56.91 -35.07 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.306 1.443 . . . . 0.0 112.129 164.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.0 t -147.88 -154.46 0.55 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.787 1.635 . . . . 0.0 110.862 -172.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -139.84 -19.72 0.91 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.904 2.082 . . . . 0.0 112.831 169.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -158.0 -55.34 0.07 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.555 1.142 . . . . 0.0 113.711 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -33.12 68.68 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.25 1.42 . . . . 0.0 114.739 -170.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.3 pttt 42.89 26.25 0.07 Allowed 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 128.588 2.755 . . . . 0.0 118.375 167.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -70.16 152.62 95.69 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 124.105 0.962 . . . . 0.0 112.324 176.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.01 -19.44 11.54 Favored 'Trans proline' 0 C--N 1.356 0.949 1 C-N-CA 125.332 4.021 . . . . 0.0 119.786 -168.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.86 0.78 0.24 Allowed Glycine 0 N--CA 1.478 1.453 0 N-CA-C 116.352 1.301 . . . . 0.0 116.352 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -63.29 -28.51 70.07 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.631 1.216 . . . . 0.0 114.276 -177.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -62.55 -40.85 98.14 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.88 1.272 . . . . 0.0 112.894 -167.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.9 m -63.47 -4.45 2.78 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.04 1.336 . . . . 0.0 114.602 175.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -129.71 3.83 4.99 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.546 1.938 . . . . 0.0 112.955 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -152.08 -63.11 0.17 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.178 0.991 . . . . 0.0 112.883 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 62.9 m -91.91 -17.89 24.55 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -164.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -144.16 14.29 1.65 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.066 1.746 . . . . 0.0 113.197 -170.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.254 1.31 0 C-N-CA 127.684 2.394 . . . . 0.0 114.464 -178.854 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.5 m -51.01 136.99 22.19 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.895 1.278 . . . . 0.0 113.519 -174.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.64 150.69 22.57 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.346 1.458 . . . . 0.0 114.013 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -66.25 -15.66 63.38 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 165.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -135.0 -48.39 0.73 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.957 1.303 . . . . 0.0 113.015 -168.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 54.9 m -82.05 -9.84 59.42 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -168.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.59 33.67 73.07 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.74 1.162 . . . . 0.0 114.567 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 tpmt? -126.2 115.43 23.7 Favored Pre-proline 0 N--CA 1.475 0.798 0 C-N-CA 125.237 1.415 . . . . 0.0 111.125 -169.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -51.81 -32.77 47.74 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 125.042 3.828 . . . . 0.0 117.125 -176.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.1 24.5 1.66 Allowed Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.44 1.495 . . . . 0.0 115.562 -176.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -89.32 161.32 16.42 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.581 1.181 . . . . 0.0 113.622 177.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -151.12 169.6 21.46 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 128.746 2.818 . . . . 0.0 108.728 -174.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.1 p -58.33 -11.82 3.15 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 169.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.8 p -108.28 -10.56 15.35 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.52 1.928 . . . . 0.0 113.865 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -86.79 -38.68 16.64 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.406 1.082 . . . . 0.0 111.36 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.2 m -142.47 176.08 9.29 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.334 2.253 . . . . 0.0 110.721 167.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -35.27 59.2 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.75 1.22 . . . . 0.0 113.425 177.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.23 160.2 26.49 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 124.711 1.204 . . . . 0.0 112.547 171.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -71.75 172.75 13.83 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 122.85 2.367 . . . . 0.0 111.322 158.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -55.32 -13.8 1.54 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 127.462 2.305 . . . . 0.0 115.537 -178.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.03 -34.64 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 126.005 1.722 . . . . 0.0 112.603 166.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.4 t -149.27 -152.71 0.45 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.517 1.527 . . . . 0.0 111.051 -170.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -140.2 -22.14 0.84 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.793 2.037 . . . . 0.0 112.903 170.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -156.74 -53.97 0.08 Allowed 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.58 -31.36 62.04 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -171.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.9 pttm 43.31 25.76 0.08 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 118.434 2.753 . . . . 0.0 118.434 165.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -68.08 152.3 96.56 Favored Pre-proline 0 CA--C 1.554 1.108 0 O-C-N 121.104 -0.998 . . . . 0.0 112.407 177.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -52.57 -19.42 10.19 Favored 'Trans proline' 0 CA--C 1.543 0.973 1 C-N-CA 125.467 4.112 . . . . 0.0 119.963 -167.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.03 1.33 0.25 Allowed Glycine 0 N--CA 1.478 1.435 0 N-CA-C 116.327 1.291 . . . . 0.0 116.327 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -63.61 -28.55 70.0 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 118.63 1.215 . . . . 0.0 114.148 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -63.4 -40.3 96.83 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.37 1.068 . . . . 0.0 113.066 -164.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.7 m -62.83 -7.35 4.89 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -134.08 15.41 3.86 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.179 1.792 . . . . 0.0 113.676 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -148.86 -46.35 0.15 Allowed 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 176.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 85.2 m -114.97 -24.17 8.73 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -165.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -126.01 12.07 7.74 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 127.695 2.398 . . . . 0.0 112.137 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.253 1.281 0 C-N-CA 127.61 2.364 . . . . 0.0 114.474 -177.629 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.5 m -50.49 135.01 23.22 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.903 1.281 . . . . 0.0 113.568 -173.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.7 t -57.05 150.48 17.03 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.594 1.558 . . . . 0.0 114.416 -178.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -67.14 -14.55 63.01 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 166.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -135.13 -48.37 0.73 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.949 1.299 . . . . 0.0 113.044 -170.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 44.3 m -83.3 -11.77 57.37 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.63 1.172 . . . . 0.0 114.089 -167.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.56 23.89 63.36 Favored Glycine 0 CA--C 1.539 1.593 0 C-N-CA 124.87 1.224 . . . . 0.0 115.442 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -115.65 122.88 32.09 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 125.33 1.452 . . . . 0.0 110.979 -172.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -52.49 -34.17 60.77 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 124.932 3.755 . . . . 0.0 116.549 -176.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.37 35.69 1.34 Allowed Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.937 1.732 . . . . 0.0 115.388 -174.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -103.61 155.77 18.3 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.722 1.209 . . . . 0.0 113.104 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.9 mt -155.14 172.46 18.11 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 129.094 2.958 . . . . 0.0 108.406 -174.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m -54.85 -18.54 4.98 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.649 1.58 . . . . 0.0 114.882 170.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.6 p -98.5 -6.49 30.18 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.481 1.912 . . . . 0.0 114.039 176.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -101.64 -42.23 6.29 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.969 1.308 . . . . 0.0 111.373 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.8 m -142.85 174.47 10.63 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 127.241 2.216 . . . . 0.0 110.706 168.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -36.07 63.34 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.541 1.136 . . . . 0.0 113.423 178.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.75 160.14 27.54 Favored Pre-proline 0 CA--C 1.549 0.922 0 C-N-CA 124.74 1.216 . . . . 0.0 112.885 174.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.99 173.72 13.14 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 123.073 2.515 . . . . 0.0 111.412 159.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -53.98 -13.94 0.91 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 127.599 2.36 . . . . 0.0 115.704 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.1 t -54.82 -36.61 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 126.097 1.759 . . . . 0.0 112.785 167.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.1 t -149.44 -156.1 0.69 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.368 1.467 . . . . 0.0 111.173 -168.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -136.82 -17.88 1.41 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.814 2.045 . . . . 0.0 113.011 169.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -157.22 -58.25 0.08 Allowed 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.58 -29.83 59.45 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -169.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 pttm 43.12 26.9 0.1 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 128.405 2.682 . . . . 0.0 118.22 166.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -69.03 153.06 96.48 Favored Pre-proline 0 CA--C 1.552 1.056 0 O-C-N 121.233 -0.917 . . . . 0.0 112.463 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -53.16 -17.8 8.95 Favored 'Trans proline' 0 CA--C 1.544 1.001 1 C-N-CA 125.387 4.058 . . . . 0.0 120.047 -168.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.21 -1.63 0.18 Allowed Glycine 0 N--CA 1.478 1.487 0 N-CA-C 116.621 1.408 . . . . 0.0 116.621 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -61.95 -28.67 69.71 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -62.83 -40.57 97.82 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.952 1.301 . . . . 0.0 112.84 -168.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.7 m -62.87 -8.06 6.3 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -130.26 8.84 5.14 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.103 1.761 . . . . 0.0 113.894 177.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -147.35 -81.25 0.14 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.094 0.958 . . . . 0.0 111.158 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 62.7 m -76.53 -17.68 59.12 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -166.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.29 13.45 2.81 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.294 1.838 . . . . 0.0 112.986 -175.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.961 2.104 . . . . 0.0 112.915 177.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.2 m -50.5 136.16 21.36 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.822 1.249 . . . . 0.0 113.498 -174.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.7 t -56.81 151.62 14.0 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.523 1.529 . . . . 0.0 114.215 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -66.68 -15.22 63.35 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 165.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -136.01 -47.16 0.65 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.891 1.276 . . . . 0.0 113.215 -169.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.0 m -82.92 -8.67 59.55 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -166.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.98 33.96 76.55 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.43 1.014 . . . . 0.0 114.452 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -128.17 111.69 19.88 Favored Pre-proline 0 N--CA 1.474 0.745 0 C-N-CA 125.872 1.669 . . . . 0.0 110.705 -166.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -51.06 -32.72 40.16 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 125.25 3.967 . . . . 0.0 116.877 -177.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.9 34.66 1.24 Allowed Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.769 1.652 . . . . 0.0 115.328 -177.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -103.43 158.69 16.17 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.843 1.257 . . . . 0.0 113.279 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.3 mt -153.66 171.27 19.08 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 129.236 3.014 . . . . 0.0 108.183 -175.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.9 p -58.23 -16.85 15.39 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 168.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.6 p -94.56 -9.05 36.43 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.08 1.752 . . . . 0.0 113.967 173.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -99.04 -42.36 7.14 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.813 1.245 . . . . 0.0 111.343 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.2 m -142.79 172.97 11.97 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.384 2.274 . . . . 0.0 110.459 168.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.409 ' H ' ' HD2' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -54.47 -34.11 60.94 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.194 1.398 . . . . 0.0 113.772 -178.692 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.08 159.97 29.02 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.195 1.398 . . . . 0.0 112.127 170.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -72.52 174.65 11.31 Favored 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 123.078 2.519 . . . . 0.0 111.249 159.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -54.81 -12.39 0.78 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 127.547 2.339 . . . . 0.0 115.726 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -55.77 -36.64 43.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.889 1.676 . . . . 0.0 112.713 167.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.2 t -149.36 -153.64 0.51 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.499 1.52 . . . . 0.0 111.014 -169.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -139.59 -19.64 0.94 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.746 2.018 . . . . 0.0 113.002 170.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -156.77 -56.73 0.08 Allowed 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -178.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.6 p -77.31 -29.18 53.55 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -169.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.2 pttm 43.52 26.64 0.12 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 118.17 2.656 . . . . 0.0 118.17 164.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -68.18 153.17 95.85 Favored Pre-proline 0 CA--C 1.553 1.063 0 O-C-N 121.044 -1.035 . . . . 0.0 112.55 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_exo -52.55 -19.56 10.4 Favored 'Trans proline' 0 CA--C 1.544 1.012 1 C-N-CA 125.534 4.156 . . . . 0.0 119.941 -167.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.7 0.42 0.24 Allowed Glycine 0 N--CA 1.478 1.442 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -63.03 -28.0 69.79 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -177.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -62.19 -41.44 98.34 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.623 1.169 . . . . 0.0 112.577 -168.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.5 m -63.52 -4.21 2.69 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -135.46 10.85 3.47 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.014 1.726 . . . . 0.0 114.246 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -150.42 -55.87 0.16 Allowed 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 77.4 m -105.34 -17.71 14.36 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -165.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -139.3 3.91 2.18 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.225 1.81 . . . . 0.0 113.286 -177.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.1 p . . . . . 0 C--O 1.254 1.308 0 C-N-CA 127.215 2.206 . . . . 0.0 113.932 173.802 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.2 m -51.17 136.78 23.51 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.181 1.392 . . . . 0.0 113.948 -171.683 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.4 t -57.64 151.28 17.52 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.455 1.502 . . . . 0.0 113.798 178.14 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -66.1 -16.1 63.66 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 166.397 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -141.21 -42.45 0.38 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -171.33 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.2 m -74.84 -24.16 58.55 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -175.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.71 6.82 56.98 Favored Glycine 0 CA--C 1.542 1.726 0 C-N-CA 124.869 1.223 . . . . 0.0 115.852 -174.488 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.71 123.28 76.39 Favored Pre-proline 0 N--CA 1.48 1.056 0 CA-C-N 119.183 1.491 . . . . 0.0 110.891 177.275 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -54.37 -32.35 71.95 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 124.688 3.592 . . . . 0.0 116.045 175.644 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.91 28.08 1.92 Allowed Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.491 1.519 . . . . 0.0 115.329 -175.265 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -89.97 159.84 16.69 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 122.544 1.164 . . . . 0.0 113.591 177.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.6 mt -150.39 169.48 21.32 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 128.546 2.738 . . . . 0.0 108.842 -173.436 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.9 p -57.71 -12.58 3.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.838 1.655 . . . . 0.0 115.298 171.323 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.0 p -110.13 -10.53 14.66 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.567 1.947 . . . . 0.0 113.871 175.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -83.77 -39.83 19.55 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.276 1.03 . . . . 0.0 111.306 178.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.5 m -143.75 175.84 9.69 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.984 2.514 . . . . 0.0 110.087 168.599 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -53.99 -32.89 55.49 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.271 1.428 . . . . 0.0 113.986 177.028 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.77 160.29 25.31 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 124.506 1.122 . . . . 0.0 113.007 169.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -71.12 170.0 19.21 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 122.83 2.353 . . . . 0.0 111.172 156.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -55.44 -16.63 3.9 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.741 2.016 . . . . 0.0 115.783 -175.603 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.4 t -53.85 -31.45 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 126.011 1.724 . . . . 0.0 112.559 169.413 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.0 t -147.41 -156.78 0.75 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.267 1.827 . . . . 0.0 110.543 -173.598 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -137.23 -20.77 1.21 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.157 2.183 . . . . 0.0 113.167 170.056 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -156.87 -54.84 0.08 Allowed 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -177.64 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.35 -30.95 62.24 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -171.555 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.7 pttm 43.73 24.11 0.06 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 118.632 2.827 . . . . 0.0 118.632 165.588 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -67.98 151.51 97.14 Favored Pre-proline 0 CA--C 1.553 1.074 0 O-C-N 121.089 -1.007 . . . . 0.0 112.217 178.009 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -51.58 -24.4 17.07 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 125.158 3.905 . . . . 0.0 119.29 -167.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.83 11.36 0.71 Allowed Glycine 0 N--CA 1.476 1.307 0 N-CA-C 115.812 1.085 . . . . 0.0 115.812 -178.059 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -68.44 -30.26 69.09 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.652 1.226 . . . . 0.0 113.701 -179.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -60.69 -41.33 94.91 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.399 1.079 . . . . 0.0 112.823 -164.677 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.8 m -60.48 -5.09 1.05 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 175.704 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -127.33 6.29 6.37 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.633 1.973 . . . . 0.0 113.425 178.19 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -152.65 -48.6 0.1 Allowed 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 69.2 m -110.64 -4.99 15.14 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.131 1.372 . . . . 0.0 113.544 -167.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 tpp85 -149.31 3.38 0.58 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 127.265 2.226 . . . . 0.0 113.618 179.512 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.252 1.206 0 C-N-CA 126.879 2.072 . . . . 0.0 113.865 173.657 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.0 m -49.73 136.99 16.68 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.133 1.373 . . . . 0.0 114.096 -173.071 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.3 t -56.06 153.19 9.32 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.821 1.648 . . . . 0.0 114.144 178.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -66.49 -15.16 63.15 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 165.204 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -138.18 -48.67 0.54 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.928 1.291 . . . . 0.0 113.5 -169.496 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.8 m -80.75 -9.93 59.77 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 -165.404 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.58 28.57 69.96 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.388 0.994 . . . . 0.0 114.967 -179.559 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -118.17 113.61 37.24 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 125.891 1.676 . . . . 0.0 111.218 -172.613 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -51.1 -32.57 39.97 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 125.118 3.878 . . . . 0.0 116.292 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.79 26.5 1.4 Allowed Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.629 1.585 . . . . 0.0 115.43 -177.86 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -90.9 156.95 17.62 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 122.604 1.193 . . . . 0.0 113.645 177.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.9 mt -154.61 171.95 18.65 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 129.253 3.021 . . . . 0.0 108.267 -175.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.1 m -55.71 -18.01 7.19 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.204 1.402 . . . . 0.0 114.761 169.101 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.1 p -97.92 -4.62 36.06 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.506 1.923 . . . . 0.0 114.026 175.787 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -104.52 -40.57 6.0 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.02 1.328 . . . . 0.0 111.377 -178.365 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.0 m -142.68 172.91 12.05 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.503 1.921 . . . . 0.0 111.069 164.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.429 ' H ' ' NE ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -48.39 -37.38 16.76 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.908 2.083 . . . . 0.0 113.619 175.148 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.77 159.93 27.52 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.749 1.219 . . . . 0.0 112.72 169.354 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -71.99 174.52 11.15 Favored 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 123.158 2.572 . . . . 0.0 111.394 158.611 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -55.07 -13.56 1.22 Allowed 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 127.135 2.174 . . . . 0.0 115.672 -178.12 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.9 t -54.58 -34.5 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.77 1.628 . . . . 0.0 112.676 167.388 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.3 t -150.44 -152.14 0.42 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.257 1.423 . . . . 0.0 111.144 -169.905 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -138.77 -22.18 0.97 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.015 2.126 . . . . 0.0 112.792 169.41 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -157.08 -54.83 0.08 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -179.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -73.91 -32.21 63.44 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -170.175 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.9 pttm 42.56 26.14 0.06 Allowed 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 118.531 2.789 . . . . 0.0 118.531 166.408 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -67.22 152.39 96.16 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 124.108 0.963 . . . . 0.0 112.395 177.671 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -51.84 -19.84 8.8 Favored 'Trans proline' 0 CA--C 1.542 0.891 1 C-N-CA 125.554 4.169 . . . . 0.0 120.001 -167.175 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.6 1.53 0.28 Allowed Glycine 0 N--CA 1.477 1.398 0 N-CA-C 116.302 1.281 . . . . 0.0 116.302 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -63.64 -29.85 71.04 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.644 1.222 . . . . 0.0 113.889 -177.378 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -62.19 -40.71 96.97 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.902 1.281 . . . . 0.0 112.805 -164.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.4 m -61.83 -7.0 3.1 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.269 1.428 . . . . 0.0 114.597 176.466 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -127.16 4.54 6.41 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.816 2.046 . . . . 0.0 113.164 -177.2 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -150.38 -45.11 0.13 Allowed 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -176.214 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 84.2 m -115.08 -27.88 7.17 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.064 0.946 . . . . 0.0 113.473 -164.832 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -122.13 -1.08 9.31 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.93 2.492 . . . . 0.0 112.368 177.686 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.8 p . . . . . 0 C--O 1.252 1.234 0 C-N-CA 127.119 2.168 . . . . 0.0 114.092 175.507 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 97.9 m -120.48 142.22 49.48 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.872 1.669 . . . . 0.0 110.006 -178.574 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.9 t -63.68 150.15 44.98 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -172.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -71.82 -16.24 62.16 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 165.509 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -138.16 -47.91 0.53 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.333 1.053 . . . . 0.0 113.433 -166.14 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.1 m -73.96 -16.65 61.08 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.56 1.144 . . . . 0.0 113.669 -171.352 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.23 45.91 95.22 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.054 0.835 . . . . 0.0 112.77 -174.598 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.52 144.12 35.42 Favored Pre-proline 0 N--CA 1.476 0.855 0 C-N-CA 125.645 1.578 . . . . 0.0 111.732 -171.86 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -70.67 -170.11 0.43 Allowed 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 123.902 3.068 . . . . 0.0 111.135 164.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.7 28.19 72.97 Favored Glycine 0 CA--C 1.535 1.307 0 O-C-N 121.064 -1.023 . . . . 0.0 113.486 179.542 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -113.69 146.05 40.42 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.064 1.345 . . . . 0.0 112.119 -173.804 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.9 mt -156.06 173.22 17.13 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 128.578 2.751 . . . . 0.0 108.712 -172.698 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.2 m -54.83 -20.41 8.59 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.277 1.431 . . . . 0.0 114.523 168.355 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.6 p -92.4 -6.18 50.56 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.345 1.858 . . . . 0.0 114.204 175.614 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -105.99 -42.5 5.1 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.241 1.416 . . . . 0.0 111.321 179.763 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.4 m -143.39 170.15 16.32 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.222 2.209 . . . . 0.0 110.748 176.44 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -56.68 -31.52 64.52 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.791 1.236 . . . . 0.0 113.876 179.195 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.14 160.55 28.75 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 124.795 1.238 . . . . 0.0 112.19 168.294 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -72.37 171.72 16.43 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 122.662 2.242 . . . . 0.0 111.275 158.7 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -51.91 -19.67 1.9 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 127.084 2.154 . . . . 0.0 116.032 -176.093 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.9 t -53.06 -33.1 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 126.275 1.83 . . . . 0.0 112.874 170.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 t -149.12 -157.53 0.83 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.08 1.752 . . . . 0.0 110.844 -171.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -136.88 -16.88 1.45 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.325 2.25 . . . . 0.0 113.074 169.458 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -156.45 -62.03 0.1 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.652 1.181 . . . . 0.0 113.402 -174.174 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.24 -32.51 61.15 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.257 1.423 . . . . 0.0 114.548 -168.322 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.3 pttm 42.97 25.61 0.06 Allowed 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 118.371 2.73 . . . . 0.0 118.371 166.584 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -68.48 152.9 96.34 Favored Pre-proline 0 CA--C 1.552 1.034 0 O-C-N 121.209 -0.932 . . . . 0.0 112.151 177.09 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -52.15 -21.49 12.98 Favored 'Trans proline' 0 CA--C 1.543 0.941 1 C-N-CA 125.331 4.02 . . . . 0.0 119.455 -168.124 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.21 3.03 0.45 Allowed Glycine 0 N--CA 1.476 1.33 0 N-CA-C 116.264 1.266 . . . . 0.0 116.264 -179.399 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -63.04 -29.38 70.77 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.691 1.245 . . . . 0.0 113.936 -177.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -61.77 -40.3 94.68 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 124.183 0.993 . . . . 0.0 112.16 -169.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.7 m -59.38 -7.71 1.45 Allowed 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 115.243 1.572 . . . . 0.0 115.243 176.657 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -134.78 13.84 3.67 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.022 1.729 . . . . 0.0 114.054 177.293 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -149.86 -53.26 0.16 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 176.08 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.4 m -106.17 -3.81 20.98 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.909 1.284 . . . . 0.0 113.59 -168.653 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 tpp85 -152.65 19.9 0.61 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.146 2.179 . . . . 0.0 113.062 -176.567 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 C--O 1.253 1.242 0 C-N-CA 127.082 2.153 . . . . 0.0 114.112 -179.53 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.6 m -51.24 136.25 24.85 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.106 1.363 . . . . 0.0 113.923 -172.746 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.2 t -58.13 151.66 18.49 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.94 1.696 . . . . 0.0 114.396 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -67.6 -14.97 63.4 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 165.744 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -135.43 -47.17 0.69 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.84 1.256 . . . . 0.0 113.094 -169.652 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 55.7 m -83.7 -10.06 58.42 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -167.469 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.48 30.68 68.76 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.71 1.148 . . . . 0.0 114.823 -179.582 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -124.45 116.69 26.73 Favored Pre-proline 0 N--CA 1.476 0.832 0 C-N-CA 125.693 1.597 . . . . 0.0 110.758 -168.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -51.71 -31.9 43.16 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 125.093 3.862 . . . . 0.0 116.966 -177.135 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.1 34.69 1.28 Allowed Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.792 1.663 . . . . 0.0 115.464 -176.124 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -104.17 157.18 17.3 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.784 1.234 . . . . 0.0 113.345 -179.642 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.6 mt -154.14 170.57 20.88 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 128.91 2.884 . . . . 0.0 108.52 -173.732 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.5 m -56.68 -11.81 1.54 Allowed 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 171.737 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.6 m -113.43 0.4 14.73 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.881 1.673 . . . . 0.0 113.306 176.792 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -96.91 -41.06 8.6 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.875 1.27 . . . . 0.0 110.69 174.23 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.8 m -143.56 173.88 11.26 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.758 2.423 . . . . 0.0 110.406 169.241 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -55.57 -32.58 63.15 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.26 1.424 . . . . 0.0 114.13 177.903 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.2 159.7 26.6 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 124.425 1.09 . . . . 0.0 112.966 171.667 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -71.38 170.72 17.71 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 122.847 2.365 . . . . 0.0 111.282 158.127 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -52.68 -20.41 3.08 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 127.013 2.125 . . . . 0.0 115.655 -176.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.5 t -52.0 -32.63 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 126.151 1.78 . . . . 0.0 112.879 171.014 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 t -148.89 -156.23 0.7 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.134 1.774 . . . . 0.0 110.844 -172.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -137.87 -17.94 1.22 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.338 2.255 . . . . 0.0 113.175 169.618 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -155.53 -59.98 0.11 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -176.101 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 p -77.28 -30.41 54.26 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -169.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.5 pttm 43.26 26.14 0.08 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 118.458 2.762 . . . . 0.0 118.458 165.019 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -67.69 151.8 96.85 Favored Pre-proline 0 CA--C 1.552 1.041 0 O-C-N 121.09 -1.006 . . . . 0.0 112.349 177.819 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -51.96 -23.3 16.31 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 125.202 3.935 . . . . 0.0 119.335 -167.803 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.06 9.29 0.71 Allowed Glycine 0 N--CA 1.478 1.487 0 CA-C-N 119.631 1.105 . . . . 0.0 115.844 -178.251 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -67.99 -29.98 69.13 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.499 1.149 . . . . 0.0 113.703 -179.51 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -62.42 -42.51 99.49 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.055 0.942 . . . . 0.0 112.601 -163.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.6 m -59.08 -6.39 0.85 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 175.135 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -128.82 4.48 5.43 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 127.067 2.147 . . . . 0.0 113.134 -176.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -151.92 -52.3 0.12 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 75.1 m -106.6 -3.13 21.05 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.266 1.427 . . . . 0.0 113.515 -168.173 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -152.29 19.2 0.65 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.094 2.158 . . . . 0.0 113.108 -177.095 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.4 m . . . . . 0 C--O 1.255 1.367 0 C-N-CA 127.039 2.136 . . . . 0.0 114.24 -179.75 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.3 m -125.01 142.13 51.69 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.907 1.683 . . . . 0.0 109.855 -173.89 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.2 t -64.7 148.16 51.62 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -172.48 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -68.83 -17.8 64.06 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 165.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -141.11 -42.99 0.38 Allowed 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -167.193 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.1 m -71.22 -17.29 62.52 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -174.618 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.33 36.3 93.22 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 123.819 0.723 . . . . 0.0 113.074 -173.02 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -130.03 142.58 45.9 Favored Pre-proline 0 N--CA 1.475 0.787 0 C-N-CA 125.99 1.716 . . . . 0.0 112.036 -168.432 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.62 -170.28 0.58 Allowed 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.938 3.092 . . . . 0.0 110.739 163.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.33 29.67 75.24 Favored Glycine 0 CA--C 1.533 1.216 0 O-C-N 121.16 -0.962 . . . . 0.0 113.258 179.349 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -116.67 146.45 42.74 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.193 1.397 . . . . 0.0 112.393 -170.784 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.7 mt -155.95 174.38 15.42 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 128.655 2.782 . . . . 0.0 108.787 -173.037 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 56.4 p -56.53 -18.15 10.72 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 165.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.3 p -92.71 -1.46 56.82 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.235 1.814 . . . . 0.0 114.06 174.111 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -114.29 -38.74 4.03 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.282 1.433 . . . . 0.0 111.623 -179.278 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 m -143.1 172.36 12.82 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.002 2.121 . . . . 0.0 110.896 172.305 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.6 -32.72 52.27 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.134 1.374 . . . . 0.0 113.773 177.449 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.19 159.72 28.85 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 125.16 1.384 . . . . 0.0 111.746 167.167 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -71.27 168.94 21.96 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 122.55 2.167 . . . . 0.0 110.85 157.301 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -53.56 -18.5 2.91 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 127.031 2.132 . . . . 0.0 115.915 -174.659 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.4 t -51.64 -32.65 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 126.114 1.766 . . . . 0.0 112.656 169.346 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.8 t -148.53 -159.28 1.01 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.327 1.851 . . . . 0.0 110.611 -175.403 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -138.91 -14.15 1.2 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.406 2.282 . . . . 0.0 112.847 170.491 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -155.85 -63.25 0.11 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.902 1.281 . . . . 0.0 112.915 -171.589 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.17 -36.11 66.54 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.951 1.7 . . . . 0.0 114.038 -168.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.1 pttm 43.58 23.49 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 128.636 2.774 . . . . 0.0 118.313 169.194 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -68.91 151.76 97.11 Favored Pre-proline 0 CA--C 1.55 0.969 0 O-C-N 121.171 -0.956 . . . . 0.0 112.072 176.553 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_exo -52.17 -21.99 14.19 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 125.216 3.944 . . . . 0.0 119.32 -168.404 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.0 2.18 0.51 Allowed Glycine 0 CA--C 1.536 1.392 0 N-CA-C 116.29 1.276 . . . . 0.0 116.29 -178.579 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -62.34 -30.57 71.26 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.693 1.246 . . . . 0.0 114.005 -177.166 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -60.25 -40.49 90.48 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.69 1.196 . . . . 0.0 112.565 -169.202 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.9 m -58.89 -10.53 2.51 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 176.059 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -127.25 6.07 6.4 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.695 1.998 . . . . 0.0 113.16 -178.198 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -150.66 -59.2 0.18 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 179.047 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 61.7 m -96.64 -4.84 40.3 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.917 1.287 . . . . 0.0 113.96 -168.435 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -152.51 19.14 0.63 Allowed 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.721 2.009 . . . . 0.0 113.278 -175.433 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m . . . . . 0 C--O 1.252 1.201 0 C-N-CA 126.928 2.091 . . . . 0.0 114.244 -179.788 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 . . . . . 0 N--CA 1.485 1.295 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 m -49.46 138.64 13.16 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.459 1.504 . . . . 0.0 114.062 -173.391 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.38 153.16 16.18 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.817 1.647 . . . . 0.0 113.957 178.741 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -66.98 -15.68 63.87 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 164.865 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -135.94 -48.1 0.67 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.911 1.284 . . . . 0.0 113.304 -168.771 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.8 m -81.98 -9.49 59.55 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -166.735 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.22 32.54 72.05 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 124.534 1.064 . . . . 0.0 114.56 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -125.86 113.39 24.6 Favored Pre-proline 0 N--CA 1.475 0.822 0 C-N-CA 125.62 1.568 . . . . 0.0 110.827 -168.136 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -51.53 -32.03 41.99 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 125.064 3.843 . . . . 0.0 116.999 -176.031 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.07 26.55 1.19 Allowed Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.616 1.579 . . . . 0.0 115.628 -176.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -92.86 162.57 14.04 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 122.584 1.183 . . . . 0.0 113.434 177.745 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.6 mt -152.01 171.92 17.08 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 128.19 2.596 . . . . 0.0 109.091 -172.259 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.7 t -55.13 -13.97 1.44 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.938 1.695 . . . . 0.0 114.932 170.896 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.3 p -120.58 -11.08 9.12 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.518 1.927 . . . . 0.0 114.587 -179.668 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -74.85 -38.35 61.99 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.26 0.936 . . . . 0.0 111.15 175.234 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.5 m -139.17 179.27 6.61 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.126 2.571 . . . . 0.0 109.364 165.913 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.17 -38.95 63.23 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.31 1.044 . . . . 0.0 112.893 178.208 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.61 159.23 30.77 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 125.108 1.363 . . . . 0.0 112.314 174.285 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -72.68 175.67 9.92 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 123.146 2.564 . . . . 0.0 111.496 161.248 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -53.48 -13.94 0.71 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 127.618 2.367 . . . . 0.0 115.777 -178.204 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -56.5 -36.75 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 126.253 1.821 . . . . 0.0 112.87 168.632 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.6 t -148.76 -153.73 0.51 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.257 1.423 . . . . 0.0 111.141 -169.667 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -141.08 -20.55 0.79 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.901 2.081 . . . . 0.0 112.921 169.837 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -158.42 -54.53 0.07 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.657 1.183 . . . . 0.0 113.596 -177.249 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -36.5 76.52 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.377 1.471 . . . . 0.0 114.502 -170.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.9 pttt 42.23 27.25 0.07 Allowed 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 128.674 2.79 . . . . 0.0 117.871 170.189 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -69.61 151.28 96.63 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 124.101 0.96 . . . . 0.0 112.187 176.378 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -51.9 -22.48 14.15 Favored 'Trans proline' 0 CA--C 1.542 0.888 1 C-N-CA 125.396 4.064 . . . . 0.0 119.536 -167.343 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.1 16.91 0.45 Allowed Glycine 0 N--CA 1.476 1.303 0 CA-C-N 119.574 1.079 . . . . 0.0 115.74 -177.779 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -76.05 -29.76 58.15 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 118.513 1.157 . . . . 0.0 113.879 -178.761 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -61.25 -41.52 97.04 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.361 1.465 . . . . 0.0 113.698 -163.037 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.8 m -63.82 -4.45 3.21 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 178.232 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -127.84 5.26 6.03 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.83 2.052 . . . . 0.0 112.855 -177.502 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -149.81 -64.56 0.21 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.856 0.862 . . . . 0.0 112.686 177.282 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.3 m -90.01 -19.31 24.57 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -166.085 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.26 15.18 2.04 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.994 1.718 . . . . 0.0 113.235 -169.879 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 C--O 1.254 1.325 0 C-N-CA 127.589 2.356 . . . . 0.0 114.346 -179.928 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 . . . . . 0 N--CA 1.486 1.326 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.7 m -50.2 136.44 19.58 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.002 1.321 . . . . 0.0 113.575 -173.317 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.1 t -55.07 150.23 10.85 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.442 1.497 . . . . 0.0 113.873 -179.777 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -19.06 63.35 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 166.513 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -133.99 -48.2 0.8 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.251 1.42 . . . . 0.0 113.455 -170.319 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.2 m -79.62 -10.33 59.78 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -166.111 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.92 30.47 73.26 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 124.394 0.997 . . . . 0.0 114.78 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -122.78 115.49 29.42 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 125.869 1.668 . . . . 0.0 110.61 -170.003 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -52.13 -32.65 50.48 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 124.975 3.783 . . . . 0.0 116.98 -175.682 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.47 29.38 1.22 Allowed Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.723 1.63 . . . . 0.0 115.554 -176.171 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -98.96 165.35 11.79 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.826 1.25 . . . . 0.0 113.08 178.253 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.7 mt -152.23 170.9 18.88 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 128.515 2.726 . . . . 0.0 108.549 -176.363 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 64.8 m -57.53 -3.7 0.2 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.296 1.838 . . . . 0.0 115.735 170.309 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.1 p -126.48 -11.25 6.26 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.854 2.062 . . . . 0.0 114.132 177.666 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -74.84 -39.03 61.84 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.166 0.894 . . . . 0.0 110.874 173.796 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.2 m -137.07 -177.14 4.63 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 128.103 2.561 . . . . 0.0 109.437 167.298 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -37.39 61.9 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.632 1.173 . . . . 0.0 112.637 179.451 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.37 162.13 24.18 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 125.842 1.657 . . . . 0.0 111.779 171.299 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -71.65 168.78 22.72 Favored 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 122.791 2.327 . . . . 0.0 110.853 156.305 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -56.4 -15.79 4.68 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.249 1.82 . . . . 0.0 115.748 -174.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.3 t -50.64 -33.47 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 126.136 1.775 . . . . 0.0 112.483 167.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.5 t -148.88 -159.59 1.06 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.193 1.797 . . . . 0.0 110.876 -174.478 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -138.97 -16.12 1.11 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.399 2.28 . . . . 0.0 113.052 170.066 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -156.79 -60.4 0.09 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.344 1.057 . . . . 0.0 113.808 -175.365 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.13 -32.68 69.27 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.295 1.438 . . . . 0.0 114.528 -171.345 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.9 pttt 42.35 24.8 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 129.255 3.022 . . . . 0.0 118.84 165.148 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -69.39 152.89 96.29 Favored Pre-proline 0 CA--C 1.551 1.018 0 O-C-N 121.206 -0.934 . . . . 0.0 112.087 175.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -52.31 -22.35 15.56 Favored 'Trans proline' 0 CA--C 1.542 0.9 0 C-N-CA 125.199 3.933 . . . . 0.0 119.305 -169.608 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -149.59 1.97 0.54 Allowed Glycine 0 CA--C 1.538 1.473 0 N-CA-C 116.245 1.258 . . . . 0.0 116.245 -177.749 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -62.34 -29.62 70.58 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.743 1.271 . . . . 0.0 114.154 -177.276 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -60.05 -40.77 90.58 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.618 1.167 . . . . 0.0 112.553 -169.639 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.8 m -59.51 -9.69 2.74 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 175.415 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -125.99 4.2 7.26 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.755 2.022 . . . . 0.0 113.043 -178.003 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -150.83 -64.16 0.19 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.801 0.84 . . . . 0.0 113.059 178.553 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.4 m -89.04 -6.19 57.34 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -168.649 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -152.32 18.64 0.65 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.329 1.852 . . . . 0.0 113.417 -174.187 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.7 m . . . . . 0 C--O 1.253 1.244 0 C-N-CA 126.802 2.041 . . . . 0.0 114.2 -179.815 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.4 m -48.89 133.2 18.07 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.219 1.407 . . . . 0.0 114.15 -173.157 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.9 t -54.36 150.18 9.13 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.08 1.752 . . . . 0.0 114.355 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -61.68 -21.27 64.31 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 166.18 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -132.84 -47.51 0.87 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.101 1.36 . . . . 0.0 113.278 -168.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.5 m -80.92 -9.96 59.77 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -166.588 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.81 32.83 75.72 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.489 1.042 . . . . 0.0 114.805 179.366 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -127.45 118.9 21.62 Favored Pre-proline 0 N--CA 1.475 0.807 0 C-N-CA 125.371 1.468 . . . . 0.0 110.882 -170.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -51.8 -31.85 43.81 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 125.025 3.817 . . . . 0.0 117.057 -177.063 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.38 36.87 1.35 Allowed Glycine 0 CA--C 1.534 1.268 0 C-N-CA 125.809 1.671 . . . . 0.0 115.358 -175.169 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -108.46 155.53 20.49 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.929 1.292 . . . . 0.0 113.331 -179.054 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.2 mt -155.0 172.16 18.55 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 129.117 2.967 . . . . 0.0 108.356 -173.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.6 m -55.45 -19.84 10.63 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.216 1.406 . . . . 0.0 114.49 169.109 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.1 p -94.17 -5.0 48.08 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.476 1.91 . . . . 0.0 114.055 175.881 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -106.23 -43.77 4.72 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.158 1.383 . . . . 0.0 111.292 -177.78 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.1 m -143.17 176.18 9.32 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.371 2.268 . . . . 0.0 110.682 170.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -37.32 65.52 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.858 1.263 . . . . 0.0 113.03 179.765 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.84 161.2 24.8 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.015 1.326 . . . . 0.0 112.47 174.439 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -71.97 168.89 22.7 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 122.97 2.447 . . . . 0.0 111.196 157.569 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -56.91 -15.58 5.13 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.992 1.849 . . . . 0.0 115.992 -173.739 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.8 t -51.92 -32.28 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.775 1.63 . . . . 0.0 112.421 168.17 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.0 t -146.64 -158.82 0.94 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.5 1.92 . . . . 0.0 110.419 -176.311 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -136.84 -11.54 1.76 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.42 2.288 . . . . 0.0 112.775 168.662 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -159.02 -63.1 0.08 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.026 1.33 . . . . 0.0 112.794 -172.433 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -38.11 70.3 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.096 1.758 . . . . 0.0 113.973 -167.294 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.5 pttm 43.49 23.58 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 128.531 2.732 . . . . 0.0 118.062 171.158 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -69.92 151.29 96.26 Favored Pre-proline 0 CA--C 1.551 1.018 0 O-C-N 121.157 -0.964 . . . . 0.0 112.244 176.741 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -52.33 -21.16 12.84 Favored 'Trans proline' 0 CA--C 1.543 0.934 1 C-N-CA 125.509 4.139 . . . . 0.0 119.569 -168.493 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.15 11.11 0.67 Allowed Glycine 0 N--CA 1.478 1.436 0 CA-C-N 119.689 1.132 . . . . 0.0 115.766 -178.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -71.61 -28.98 64.17 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.409 1.104 . . . . 0.0 113.189 179.537 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -64.0 -44.25 93.19 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.838 0.855 . . . . 0.0 112.097 -168.889 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.1 m -59.76 -6.31 1.18 Allowed 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 176.243 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -135.7 13.83 3.42 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.387 1.875 . . . . 0.0 113.825 179.422 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -151.49 -53.29 0.13 Allowed 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 175.126 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.1 m -106.05 -3.71 21.27 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.028 1.331 . . . . 0.0 113.615 -168.156 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.4 tpp85 -152.47 19.4 0.63 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 127.16 2.184 . . . . 0.0 112.989 -176.696 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.9 m . . . . . 0 C--O 1.253 1.263 0 C-N-CA 127.045 2.138 . . . . 0.0 114.161 -179.729 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.0 m -126.57 138.13 53.42 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.846 1.658 . . . . 0.0 109.786 -173.25 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.7 t -60.9 147.35 43.39 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -173.185 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -67.05 -21.73 65.89 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 166.825 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -136.03 -41.04 0.67 Allowed 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -167.765 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 63.1 m -71.1 -17.62 62.57 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -177.709 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.19 28.51 69.23 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.222 0.915 . . . . 0.0 113.745 -172.615 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.44 147.5 38.16 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 125.961 1.705 . . . . 0.0 111.785 -174.527 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -71.71 -169.43 0.43 Allowed 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 123.872 3.048 . . . . 0.0 110.625 161.446 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.59 29.41 73.57 Favored Glycine 0 CA--C 1.533 1.179 0 O-C-N 121.02 -1.05 . . . . 0.0 113.404 179.103 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -117.89 146.66 43.77 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.141 1.376 . . . . 0.0 112.272 -170.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.2 mt -156.18 172.42 18.47 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.922 2.489 . . . . 0.0 109.325 -171.071 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.6 m -52.29 -18.71 1.68 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.622 1.969 . . . . 0.0 115.085 168.663 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.2 p -101.9 -11.08 19.27 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.591 1.957 . . . . 0.0 113.93 178.512 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -92.59 -42.48 9.64 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.528 1.131 . . . . 0.0 111.23 177.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.5 m -143.13 173.19 11.79 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.112 2.165 . . . . 0.0 111.184 176.766 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -50.96 -35.22 32.4 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.902 1.681 . . . . 0.0 114.046 177.103 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -161.4 160.43 23.63 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 124.978 1.311 . . . . 0.0 112.195 166.25 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -72.29 167.4 27.0 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 C-N-CA 122.614 2.209 . . . . 0.0 111.053 156.316 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -53.07 -19.62 2.94 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.838 2.055 . . . . 0.0 115.421 -176.195 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -50.0 -32.27 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 126.073 1.749 . . . . 0.0 112.772 169.212 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.3 t -148.37 -157.42 0.81 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.382 1.873 . . . . 0.0 110.805 -175.72 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -137.89 -19.55 1.16 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.34 2.256 . . . . 0.0 113.073 170.127 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -155.72 -56.81 0.09 Allowed 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -176.315 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -73.71 -34.27 64.74 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -172.038 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.2 pttm 43.29 25.49 0.07 Allowed 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 118.476 2.769 . . . . 0.0 118.476 166.189 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -69.59 152.11 96.37 Favored Pre-proline 0 CA--C 1.552 1.036 0 O-C-N 121.183 -0.948 . . . . 0.0 112.714 177.855 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -52.24 -21.26 12.76 Favored 'Trans proline' 0 CA--C 1.542 0.899 1 C-N-CA 125.521 4.147 . . . . 0.0 119.599 -169.107 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.0 11.34 0.69 Allowed Glycine 0 N--CA 1.476 1.334 0 CA-C-N 119.68 1.127 . . . . 0.0 115.664 -178.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -71.73 -28.05 63.41 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.314 1.057 . . . . 0.0 113.416 179.663 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -63.56 -44.78 93.14 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.789 0.836 . . . . 0.0 112.084 -168.259 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.9 m -59.81 -5.59 0.99 Allowed 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.232 1.568 . . . . 0.0 115.232 175.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -136.58 14.29 3.18 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.489 1.916 . . . . 0.0 113.766 179.339 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -151.21 -56.75 0.15 Allowed 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 174.123 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.0 m -102.09 -4.15 26.39 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.003 1.321 . . . . 0.0 113.83 -168.861 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 tpp85 -152.88 19.73 0.59 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.031 2.132 . . . . 0.0 112.987 -175.536 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 C--O 1.254 1.292 0 C-N-CA 127.044 2.137 . . . . 0.0 114.193 -179.544 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.4 m -122.81 146.42 47.55 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.219 1.808 . . . . 0.0 109.637 -176.302 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.6 t -66.33 149.14 50.82 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -175.096 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -68.98 -18.13 64.02 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 165.74 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -138.45 -47.16 0.51 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -167.29 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.7 m -69.9 -24.37 63.38 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.378 1.071 . . . . 0.0 112.894 -177.612 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.43 0.62 24.33 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 125.44 1.495 . . . . 0.0 114.984 -171.166 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.07 150.38 71.51 Favored Pre-proline 0 N--CA 1.474 0.741 0 C-N-CA 125.199 1.4 . . . . 0.0 112.021 179.729 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -72.07 -168.38 0.37 Allowed 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 124.155 3.237 . . . . 0.0 110.801 162.053 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 61.7 28.68 70.33 Favored Glycine 0 CA--C 1.535 1.298 0 O-C-N 120.965 -1.084 . . . . 0.0 113.414 179.113 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -114.98 148.83 38.27 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.292 1.437 . . . . 0.0 111.976 -171.891 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.1 mt -154.74 173.09 16.91 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.711 2.404 . . . . 0.0 109.27 -172.275 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 m -55.14 -6.81 0.16 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 127.653 2.381 . . . . 0.0 115.939 171.643 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.2 p -120.91 -14.23 8.51 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.967 2.107 . . . . 0.0 113.761 178.528 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -79.61 -36.89 37.29 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.044 0.937 . . . . 0.0 111.032 172.035 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.3 m -142.0 176.31 9.05 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.42 2.288 . . . . 0.0 110.692 173.622 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -32.62 55.92 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.39 1.076 . . . . 0.0 113.212 177.614 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.37 159.85 28.41 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 125.638 1.575 . . . . 0.0 111.291 167.608 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.91 170.18 19.46 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 122.34 2.027 . . . . 0.0 110.902 157.893 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -51.6 -20.28 1.91 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.387 2.275 . . . . 0.0 115.792 -175.624 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.4 t -52.22 -32.8 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 126.123 1.769 . . . . 0.0 112.906 170.676 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.7 t -148.91 -157.8 0.85 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.033 1.733 . . . . 0.0 110.805 -174.574 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -141.0 -18.01 0.83 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.308 2.243 . . . . 0.0 113.289 171.922 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -154.49 -58.85 0.11 Allowed 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -174.145 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 p -80.21 -30.54 38.68 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -170.621 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.9 pttm 43.79 26.94 0.15 Allowed 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 118.4 2.741 . . . . 0.0 118.4 163.578 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -68.76 153.34 96.03 Favored Pre-proline 0 CA--C 1.553 1.063 0 O-C-N 121.193 -0.942 . . . . 0.0 112.323 177.207 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -52.02 -24.38 19.38 Favored 'Trans proline' 0 CA--C 1.543 0.975 0 C-N-CA 125.054 3.836 . . . . 0.0 119.177 -168.386 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.97 3.9 0.7 Allowed Glycine 0 N--CA 1.477 1.401 0 N-CA-C 116.166 1.227 . . . . 0.0 116.166 -177.681 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -63.77 -27.19 69.02 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -177.572 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -60.94 -41.68 96.72 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.782 0.833 . . . . 0.0 112.34 -168.322 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.3 m -59.42 -8.72 1.91 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 176.76 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -130.37 10.54 5.29 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.085 1.754 . . . . 0.0 114.056 178.138 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -152.02 -49.24 0.11 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 179.726 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 78.5 m -111.75 -4.76 14.56 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.768 1.227 . . . . 0.0 113.493 -167.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.8 tpp85 -151.22 10.41 0.59 Allowed 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 127.201 2.201 . . . . 0.0 113.324 -179.798 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.342 1.857 . . . . 0.0 114.133 174.633 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.2 m -117.85 144.44 45.4 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.408 1.883 . . . . 0.0 109.722 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 t -63.76 148.94 47.94 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -175.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -66.63 -22.95 66.11 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 166.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -139.41 -39.62 0.47 Allowed 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -167.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.4 m -68.03 -25.65 65.48 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.11 0.868 . . . . 0.0 112.871 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.33 6.15 46.32 Favored Glycine 0 CA--C 1.54 1.635 0 C-N-CA 124.997 1.284 . . . . 0.0 114.842 -170.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.79 149.88 49.26 Favored Pre-proline 0 N--CA 1.474 0.745 0 C-N-CA 125.355 1.462 . . . . 0.0 111.935 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -72.08 -168.39 0.37 Allowed 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 124.029 3.153 . . . . 0.0 110.763 161.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 61.59 29.58 72.28 Favored Glycine 0 CA--C 1.534 1.28 0 O-C-N 120.857 -1.152 . . . . 0.0 113.317 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -116.23 151.36 35.91 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 125.319 1.448 . . . . 0.0 111.892 -172.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.2 mt -153.95 170.95 19.82 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 128.113 2.565 . . . . 0.0 108.694 -174.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.1 m -58.03 -2.74 0.18 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.984 2.114 . . . . 0.0 115.768 171.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.0 p -120.15 -13.95 8.89 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.062 2.145 . . . . 0.0 113.559 176.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -79.28 -40.14 31.24 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.163 0.985 . . . . 0.0 110.669 170.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.7 m -140.23 174.54 10.41 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.71 2.404 . . . . 0.0 110.31 173.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.43 -33.97 56.03 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.601 1.16 . . . . 0.0 113.476 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.55 159.99 29.58 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 125.692 1.597 . . . . 0.0 111.057 168.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -71.65 171.57 16.11 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 122.541 2.161 . . . . 0.0 111.044 159.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -53.85 -18.4 3.28 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 126.42 1.888 . . . . 0.0 115.711 -175.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.2 t -50.69 -33.77 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.304 1.842 . . . . 0.0 112.798 169.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 t -147.73 -154.66 0.57 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 126.323 1.849 . . . . 0.0 110.563 -175.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -140.52 -23.0 0.81 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.177 2.191 . . . . 0.0 113.095 171.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -155.67 -53.68 0.09 Allowed 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -176.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.29 -31.36 58.19 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 -171.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.2 pttm 44.16 24.11 0.08 Allowed 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 118.795 2.887 . . . . 0.0 118.795 164.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -67.92 152.66 96.21 Favored Pre-proline 0 CA--C 1.551 1.009 0 O-C-N 120.903 -1.123 . . . . 0.0 112.357 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -52.28 -21.95 14.49 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 125.221 3.947 . . . . 0.0 119.525 -167.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.31 3.61 0.47 Allowed Glycine 0 CA--C 1.536 1.4 0 N-CA-C 116.082 1.193 . . . . 0.0 116.082 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -63.2 -28.64 70.19 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.564 1.182 . . . . 0.0 114.075 -177.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -60.81 -41.69 96.2 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.289 1.036 . . . . 0.0 112.056 -170.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.6 m -60.26 -7.15 1.78 Allowed 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 176.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -134.18 13.33 3.89 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.152 1.781 . . . . 0.0 114.079 176.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -149.43 -54.85 0.17 Allowed 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 176.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.7 m -103.75 -4.05 24.17 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.959 1.303 . . . . 0.0 113.629 -168.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -152.1 19.33 0.67 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 127.053 2.141 . . . . 0.0 113.132 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 C--O 1.255 1.379 0 C-N-CA 127.036 2.134 . . . . 0.0 114.091 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 m -51.05 133.11 27.77 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.215 1.406 . . . . 0.0 113.763 -172.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.1 t -54.43 150.56 8.79 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.052 1.741 . . . . 0.0 114.423 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -62.65 -21.47 65.72 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 166.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -132.57 -46.85 0.89 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.138 1.375 . . . . 0.0 113.247 -168.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 55.8 m -82.04 -10.1 59.33 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -167.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.85 31.3 71.57 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.675 1.131 . . . . 0.0 114.898 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -125.23 116.58 25.53 Favored Pre-proline 0 N--CA 1.476 0.842 0 C-N-CA 125.622 1.569 . . . . 0.0 110.772 -169.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -51.64 -32.13 43.5 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 125.179 3.919 . . . . 0.0 116.888 -177.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.09 35.63 1.28 Allowed Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.807 1.67 . . . . 0.0 115.33 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -105.19 154.29 20.4 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.805 1.242 . . . . 0.0 113.258 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.1 mt -154.18 172.84 16.94 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 129.153 2.981 . . . . 0.0 108.424 -174.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.1 m -54.89 -18.92 5.53 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.569 1.548 . . . . 0.0 114.842 170.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.3 p -97.95 -4.75 35.72 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.701 2.001 . . . . 0.0 114.075 176.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -105.64 -40.81 5.64 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.163 1.385 . . . . 0.0 111.456 -177.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.2 m -143.89 173.51 11.64 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.169 2.188 . . . . 0.0 110.644 167.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.62 -35.24 60.71 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.331 1.453 . . . . 0.0 113.663 175.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.51 160.94 25.82 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 124.564 1.146 . . . . 0.0 113.345 171.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -72.36 173.32 13.31 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 123.107 2.538 . . . . 0.0 111.514 158.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -58.13 -9.45 1.44 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 126.721 2.009 . . . . 0.0 115.766 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.8 t -54.62 -37.08 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.843 1.657 . . . . 0.0 112.521 165.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 t -148.62 -154.74 0.57 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.669 1.587 . . . . 0.0 110.951 -169.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -134.87 -20.64 1.73 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.709 2.004 . . . . 0.0 112.714 168.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -158.28 -51.49 0.07 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.425 1.09 . . . . 0.0 113.939 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -36.85 77.15 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.058 1.343 . . . . 0.0 114.409 -171.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 pttm 42.85 24.83 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 128.569 2.748 . . . . 0.0 118.295 170.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -68.37 152.34 96.64 Favored Pre-proline 0 CA--C 1.552 1.052 0 O-C-N 121.143 -0.973 . . . . 0.0 112.292 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_exo -52.3 -19.28 9.16 Favored 'Trans proline' 0 C--N 1.355 0.906 1 C-N-CA 125.575 4.183 . . . . 0.0 120.032 -167.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.11 1.11 0.24 Allowed Glycine 0 N--CA 1.478 1.471 0 N-CA-C 116.462 1.345 . . . . 0.0 116.462 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -64.18 -26.69 68.63 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -177.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -63.71 -41.65 98.07 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.542 1.137 . . . . 0.0 112.501 -169.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.0 m -63.66 -3.68 2.45 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -134.48 9.58 3.7 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.936 1.694 . . . . 0.0 114.092 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -151.02 -51.66 0.13 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 67.0 m -109.07 -17.35 13.91 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -164.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.89 2.59 2.17 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.658 1.983 . . . . 0.0 113.096 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.254 1.305 0 C-N-CA 127.264 2.226 . . . . 0.0 113.964 173.785 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 . . . . . 0 N--CA 1.485 1.304 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.7 m -49.38 140.33 10.44 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.099 1.36 . . . . 0.0 113.984 -173.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.4 t -59.91 152.96 22.17 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.648 1.579 . . . . 0.0 113.867 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -67.02 -15.18 63.56 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 165.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -137.09 -48.86 0.61 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.881 1.272 . . . . 0.0 113.224 -169.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.0 m -80.52 -10.6 59.74 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -167.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.48 28.9 68.21 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 124.692 1.139 . . . . 0.0 114.931 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -121.88 117.64 29.7 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 125.6 1.56 . . . . 0.0 110.807 -170.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.26 -31.61 47.18 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 125.056 3.837 . . . . 0.0 116.95 -176.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.56 31.02 1.22 Allowed Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.746 1.641 . . . . 0.0 115.544 -176.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -101.45 165.22 11.37 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.026 1.33 . . . . 0.0 113.359 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.6 mt -153.36 170.78 19.83 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 128.447 2.699 . . . . 0.0 108.522 -176.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.7 m -58.15 -2.03 0.16 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.451 1.901 . . . . 0.0 115.833 170.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.7 p -127.69 -12.68 5.42 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.025 2.13 . . . . 0.0 114.107 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -74.04 -35.86 64.36 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.17 0.895 . . . . 0.0 111.0 172.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 m -136.97 -179.79 5.91 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 127.649 2.38 . . . . 0.0 109.904 166.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -35.26 59.25 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.232 1.013 . . . . 0.0 112.898 176.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.3 160.55 28.41 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 125.62 1.568 . . . . 0.0 112.029 169.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -72.5 174.97 10.78 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 122.881 2.387 . . . . 0.0 111.009 159.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -53.44 -15.78 1.19 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 127.065 2.146 . . . . 0.0 115.531 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.8 t -54.39 -35.03 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.841 1.657 . . . . 0.0 112.927 168.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.1 t -150.29 -153.32 0.48 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.06 1.344 . . . . 0.0 111.348 -170.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -143.0 -18.0 0.66 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.439 2.295 . . . . 0.0 112.959 170.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -156.8 -62.65 0.1 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.827 1.251 . . . . 0.0 113.146 -174.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -73.47 -31.35 63.72 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.503 1.521 . . . . 0.0 114.621 -168.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.252 37.9 pttt 42.11 27.88 0.09 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 128.772 2.829 . . . . 0.0 118.256 165.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -69.82 153.08 95.81 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 124.336 1.054 . . . . 0.0 112.344 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -52.71 -20.33 12.4 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 125.28 3.987 . . . . 0.0 119.754 -168.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.44 1.49 0.29 Allowed Glycine 0 N--CA 1.478 1.487 0 N-CA-C 116.478 1.351 . . . . 0.0 116.478 -178.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -63.95 -27.47 69.16 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -64.23 -39.97 95.07 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.365 1.066 . . . . 0.0 112.988 -165.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.4 m -63.41 -5.44 3.63 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -133.63 12.42 4.08 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.009 1.723 . . . . 0.0 113.847 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -150.06 -46.73 0.13 Allowed 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 84.0 m -113.85 -27.75 7.65 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.639 0.978 . . . . 0.0 113.639 -164.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -123.29 -1.46 8.67 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 127.346 2.258 . . . . 0.0 112.482 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 p . . . . . 0 C--O 1.252 1.204 0 C-N-CA 126.932 2.093 . . . . 0.0 114.072 174.844 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.5 pm0 . . . . . 0 N--CA 1.484 1.274 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.0 m -51.89 136.86 27.65 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.346 1.458 . . . . 0.0 114.223 -170.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.2 t -57.28 151.58 15.66 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.859 1.664 . . . . 0.0 114.16 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -67.11 -15.26 63.6 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 165.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -134.54 -47.92 0.76 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.809 1.244 . . . . 0.0 113.07 -168.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.5 m -81.9 -9.68 59.52 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -167.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.1 34.01 71.57 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.547 1.07 . . . . 0.0 114.238 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -127.12 111.49 21.62 Favored Pre-proline 0 N--CA 1.474 0.75 0 C-N-CA 125.78 1.632 . . . . 0.0 110.658 -165.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -51.69 -32.47 45.4 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 124.98 3.786 . . . . 0.0 116.869 -176.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.69 34.18 1.2 Allowed Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.774 1.654 . . . . 0.0 115.34 -176.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.7 m80 -102.19 158.65 16.02 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.909 1.283 . . . . 0.0 113.525 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -153.33 169.35 23.31 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 128.981 2.912 . . . . 0.0 108.414 -172.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.9 m -56.74 -14.56 3.44 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 169.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.4 p -104.12 -8.47 19.44 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.657 1.983 . . . . 0.0 113.83 176.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -92.97 -41.45 10.0 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.562 1.145 . . . . 0.0 111.293 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.8 m -142.95 175.46 9.82 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 127.173 2.189 . . . . 0.0 110.703 168.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -36.33 60.72 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.022 1.329 . . . . 0.0 113.517 178.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.88 160.16 27.25 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 124.562 1.145 . . . . 0.0 112.922 173.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -73.18 173.22 14.04 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.845 2.363 . . . . 0.0 111.566 160.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -55.24 -12.64 1.03 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 127.35 2.26 . . . . 0.0 115.851 -177.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -56.32 -34.86 41.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 126.052 1.741 . . . . 0.0 112.724 167.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 t -149.63 -153.7 0.51 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.422 1.489 . . . . 0.0 111.062 -169.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -139.49 -17.98 0.99 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.985 2.114 . . . . 0.0 113.012 169.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -155.98 -59.28 0.1 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.315 1.046 . . . . 0.0 113.819 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.6 p -77.92 -29.68 50.2 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -168.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.8 pttm 43.14 26.65 0.09 Allowed 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 118.346 2.721 . . . . 0.0 118.346 165.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -68.17 152.7 96.3 Favored Pre-proline 0 CA--C 1.552 1.052 0 O-C-N 121.147 -0.971 . . . . 0.0 112.537 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -52.45 -18.84 8.78 Favored 'Trans proline' 0 CA--C 1.543 0.934 1 C-N-CA 125.545 4.164 . . . . 0.0 119.943 -167.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.75 1.6 0.27 Allowed Glycine 0 N--CA 1.477 1.403 0 N-CA-C 116.346 1.299 . . . . 0.0 116.346 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -64.16 -29.18 70.31 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.609 1.204 . . . . 0.0 113.939 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -63.29 -40.85 98.53 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.818 1.247 . . . . 0.0 112.672 -165.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.0 m -62.8 -4.8 2.29 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.27 1.428 . . . . 0.0 114.668 175.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -129.99 3.48 4.85 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.623 1.969 . . . . 0.0 113.014 -175.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -152.09 -64.44 0.17 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.111 0.964 . . . . 0.0 112.94 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 82.6 m -91.92 -16.43 26.64 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -164.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -144.83 15.47 1.56 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.056 1.742 . . . . 0.0 113.3 -171.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.9 m . . . . . 0 C--O 1.252 1.228 0 C-N-CA 127.669 2.388 . . . . 0.0 114.357 -178.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 . . . . . 0 N--CA 1.485 1.305 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.1 m -50.8 135.54 23.71 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.051 1.34 . . . . 0.0 113.724 -172.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.7 t -57.57 151.3 17.22 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.964 1.706 . . . . 0.0 114.308 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -66.76 -15.26 63.43 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 165.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -135.55 -47.73 0.69 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.776 1.23 . . . . 0.0 113.065 -169.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.0 m -83.19 -10.16 58.76 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -167.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.86 31.0 70.72 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 124.704 1.145 . . . . 0.0 114.821 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -125.53 117.77 24.77 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.71 1.604 . . . . 0.0 110.751 -169.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -52.11 -32.32 48.76 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 125.053 3.835 . . . . 0.0 116.906 -176.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.65 36.69 1.4 Allowed Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.684 1.611 . . . . 0.0 115.318 -175.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -105.86 153.57 21.76 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.818 1.247 . . . . 0.0 113.447 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.3 mt -155.89 173.88 16.13 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 129.509 3.123 . . . . 0.0 108.143 -175.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.0 m -54.07 -24.83 18.81 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 165.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.9 m -85.61 4.24 37.16 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.765 1.626 . . . . 0.0 113.946 175.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -124.59 -44.01 1.99 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.213 1.405 . . . . 0.0 111.902 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.8 m -143.15 174.58 10.57 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.69 1.996 . . . . 0.0 111.384 168.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -40.28 65.75 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.703 1.201 . . . . 0.0 113.037 177.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.49 159.1 30.95 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 124.645 1.178 . . . . 0.0 112.563 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -72.76 173.78 12.88 Favored 'Trans proline' 0 CA--C 1.544 1.001 0 C-N-CA 123.083 2.522 . . . . 0.0 111.575 161.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -54.6 -14.46 1.33 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.275 2.23 . . . . 0.0 115.602 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.0 t -53.54 -35.49 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.696 1.599 . . . . 0.0 112.684 167.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.5 t -150.23 -152.77 0.45 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.305 1.442 . . . . 0.0 111.154 -170.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -140.25 -20.34 0.86 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.973 2.109 . . . . 0.0 112.895 169.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -156.96 -57.52 0.09 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.496 1.119 . . . . 0.0 113.83 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.4 p -75.59 -30.16 59.52 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -169.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.3 pttt 42.43 27.04 0.07 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 128.676 2.79 . . . . 0.0 118.48 164.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -67.84 153.18 95.61 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 124.198 0.999 . . . . 0.0 112.529 177.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -51.74 -20.93 10.37 Favored 'Trans proline' 0 CA--C 1.542 0.923 1 C-N-CA 125.542 4.161 . . . . 0.0 119.842 -167.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.08 2.38 0.28 Allowed Glycine 0 N--CA 1.478 1.436 0 N-CA-C 116.337 1.295 . . . . 0.0 116.337 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -63.4 -29.79 71.02 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.585 1.192 . . . . 0.0 114.101 -177.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -62.3 -41.37 98.46 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.907 1.283 . . . . 0.0 113.101 -163.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.0 m -62.04 -8.76 5.78 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -127.22 7.57 6.52 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.652 1.981 . . . . 0.0 112.933 -176.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -149.38 -47.46 0.14 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.2 m -111.96 -24.38 9.98 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.15 0.98 . . . . 0.0 113.622 -164.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -125.75 11.59 7.85 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 127.965 2.506 . . . . 0.0 112.173 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.254 1.303 0 C-N-CA 127.573 2.349 . . . . 0.0 114.489 -177.786 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 . . . . . 0 N--CA 1.485 1.306 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 m -51.07 133.99 27.0 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.08 1.352 . . . . 0.0 113.832 -172.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.1 t -55.82 149.55 14.55 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.809 1.643 . . . . 0.0 114.147 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -63.03 -20.21 65.1 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 166.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -131.83 -48.73 0.95 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.087 1.355 . . . . 0.0 113.062 -169.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 m -81.38 -19.62 42.28 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -166.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.49 6.79 56.14 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.988 1.28 . . . . 0.0 115.779 -176.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.92 124.8 72.11 Favored Pre-proline 0 N--CA 1.48 1.048 0 CA-C-N 119.16 1.48 . . . . 0.0 110.587 176.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.88 -32.02 65.33 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 124.718 3.612 . . . . 0.0 115.998 174.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.24 36.42 1.75 Allowed Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.759 1.647 . . . . 0.0 115.209 -174.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -104.37 156.93 17.51 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 122.59 1.186 . . . . 0.0 113.472 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.2 mt -154.96 171.56 19.51 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 129.355 3.062 . . . . 0.0 108.208 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.8 m -56.67 -17.57 9.27 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.109 1.364 . . . . 0.0 114.607 169.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.3 p -96.21 -4.13 43.01 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.502 1.921 . . . . 0.0 113.934 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -106.68 -41.64 5.19 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.284 1.433 . . . . 0.0 111.146 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.2 m -143.72 174.45 10.79 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.585 2.354 . . . . 0.0 110.167 167.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -56.05 -31.96 63.62 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.819 1.247 . . . . 0.0 114.131 178.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.66 161.34 24.94 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 124.396 1.078 . . . . 0.0 113.427 170.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -71.51 169.6 20.54 Favored 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 123.013 2.475 . . . . 0.0 111.395 157.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -56.15 -16.68 5.56 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.449 1.9 . . . . 0.0 116.022 -173.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.37 -33.54 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.55 1.54 . . . . 0.0 112.529 169.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.9 t -148.92 -158.69 0.94 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.963 1.705 . . . . 0.0 110.945 -171.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -130.19 -17.88 3.37 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.143 2.177 . . . . 0.0 112.592 165.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -157.22 -61.68 0.09 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.705 1.202 . . . . 0.0 113.455 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.28 -32.61 74.12 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.815 1.646 . . . . 0.0 115.319 -169.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? 44.42 20.6 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 119.04 2.978 . . . . 0.0 119.04 170.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -65.26 151.66 93.48 Favored Pre-proline 0 CA--C 1.554 1.099 0 O-C-N 121.091 -1.006 . . . . 0.0 112.405 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -51.73 -23.84 16.54 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 125.19 3.926 . . . . 0.0 119.466 -166.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.28 4.06 0.58 Allowed Glycine 0 CA--C 1.536 1.385 0 N-CA-C 116.005 1.162 . . . . 0.0 116.005 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -64.2 -27.16 68.88 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -61.77 -41.73 98.08 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.954 0.902 . . . . 0.0 112.187 -169.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.6 m -60.38 -6.46 1.55 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -133.99 12.33 3.95 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.186 1.794 . . . . 0.0 114.035 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -150.34 -51.6 0.14 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 176.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.5 m -107.79 -3.33 19.15 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.926 1.29 . . . . 0.0 113.622 -168.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.8 tpp85 -152.64 19.37 0.62 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 127.195 2.198 . . . . 0.0 113.052 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.6 m . . . . . 0 C--O 1.251 1.16 0 C-N-CA 127.001 2.12 . . . . 0.0 114.088 -179.206 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 m -50.18 136.31 19.7 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.06 1.344 . . . . 0.0 113.717 -173.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.4 t -56.88 151.34 14.74 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.471 1.508 . . . . 0.0 114.193 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -66.78 -14.9 63.16 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 165.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -135.54 -47.79 0.69 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.909 1.284 . . . . 0.0 113.059 -169.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.6 m -82.88 -8.93 59.53 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -166.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.86 33.55 74.0 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.491 1.043 . . . . 0.0 114.493 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -127.47 111.29 21.03 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 125.821 1.648 . . . . 0.0 110.701 -166.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -50.63 -32.56 36.12 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 125.258 3.972 . . . . 0.0 117.046 -176.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.64 33.27 1.2 Allowed Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.773 1.654 . . . . 0.0 115.365 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -101.82 158.44 16.12 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.685 1.194 . . . . 0.0 113.436 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.5 mt -154.32 171.97 18.42 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 129.185 2.994 . . . . 0.0 108.248 -175.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.5 p -57.69 -18.13 19.08 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 167.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.8 p -93.0 -5.9 49.57 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.161 1.784 . . . . 0.0 114.085 173.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -104.72 -41.89 5.54 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.907 1.283 . . . . 0.0 111.562 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.4 m -142.55 174.82 10.29 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.045 2.138 . . . . 0.0 110.862 167.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -36.7 53.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.881 1.272 . . . . 0.0 113.41 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.19 159.47 28.91 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 124.866 1.267 . . . . 0.0 112.295 172.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -71.72 173.79 12.09 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.844 2.362 . . . . 0.0 111.178 159.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -54.58 -12.63 0.77 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 127.657 2.383 . . . . 0.0 115.619 -178.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.1 t -54.85 -37.28 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 126.3 1.84 . . . . 0.0 112.84 167.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.7 t -149.44 -157.24 0.8 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.589 1.555 . . . . 0.0 110.832 -170.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -137.85 -10.32 1.57 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.694 1.997 . . . . 0.0 112.865 168.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -158.65 -62.21 0.08 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.305 1.442 . . . . 0.0 112.624 -171.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -36.29 58.91 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.63 1.572 . . . . 0.0 113.671 -164.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.7 pttm 44.08 24.16 0.07 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 128.251 2.62 . . . . 0.0 117.686 171.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -70.23 150.77 95.97 Favored Pre-proline 0 CA--C 1.551 0.991 0 O-C-N 121.156 -0.965 . . . . 0.0 112.061 176.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_exo -52.46 -18.83 8.79 Favored 'Trans proline' 0 CA--C 1.543 0.93 1 C-N-CA 125.559 4.172 . . . . 0.0 119.906 -167.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -155.14 7.39 0.3 Allowed Glycine 0 CA--C 1.535 1.302 0 N-CA-C 116.246 1.258 . . . . 0.0 116.246 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -67.51 -30.81 70.58 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 118.863 1.331 . . . . 0.0 113.832 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -62.03 -41.78 98.47 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.237 1.415 . . . . 0.0 113.41 -163.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.1 m -63.97 -4.84 3.71 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -128.5 8.43 5.91 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.124 1.769 . . . . 0.0 113.331 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -150.9 -57.97 0.17 Allowed 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 67.2 m -101.43 -15.48 17.17 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -164.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.77 15.72 1.77 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.217 1.807 . . . . 0.0 113.041 -173.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 C--O 1.253 1.273 0 C-N-CA 127.689 2.395 . . . . 0.0 114.396 -179.156 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 110.532 -0.173 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.9 m -51.33 137.72 22.63 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.639 1.575 . . . . 0.0 114.611 -168.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.9 t -57.54 151.35 17.03 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.978 1.711 . . . . 0.0 114.293 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -67.61 -13.89 62.47 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 165.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -135.05 -48.32 0.73 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.84 1.256 . . . . 0.0 113.103 -169.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.7 m -81.81 -9.82 59.51 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -166.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.3 33.45 70.63 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.377 0.989 . . . . 0.0 114.337 -178.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -126.8 112.27 22.35 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 125.85 1.66 . . . . 0.0 110.458 -166.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -51.61 -31.75 41.57 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 124.931 3.754 . . . . 0.0 116.757 -177.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.5 38.92 1.23 Allowed Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.94 1.733 . . . . 0.0 115.234 -176.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -109.87 157.2 19.47 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.171 1.388 . . . . 0.0 113.574 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.4 mt -155.8 172.45 18.31 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 129.348 3.059 . . . . 0.0 108.476 -175.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.6 m -55.01 -18.4 5.1 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.424 1.489 . . . . 0.0 114.85 169.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.3 p -97.26 -6.3 34.82 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.506 1.922 . . . . 0.0 114.037 176.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -102.11 -40.84 6.64 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.735 1.214 . . . . 0.0 111.705 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.1 m -143.19 174.87 10.33 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.863 2.065 . . . . 0.0 111.069 167.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.42 -35.56 52.29 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.021 1.328 . . . . 0.0 113.49 178.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.49 159.79 28.18 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 124.424 1.089 . . . . 0.0 113.064 171.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -72.39 170.21 19.82 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.909 2.406 . . . . 0.0 111.306 158.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -53.06 -20.23 3.44 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.942 2.097 . . . . 0.0 115.495 -176.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.1 t -51.54 -32.49 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 126.317 1.847 . . . . 0.0 112.934 170.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 t -149.35 -156.78 0.75 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.056 1.743 . . . . 0.0 110.911 -171.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -136.76 -19.91 1.33 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.177 2.191 . . . . 0.0 113.02 169.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -156.0 -56.6 0.09 Allowed 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.25 -32.35 62.92 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -170.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 pttm 43.19 24.88 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 118.724 2.861 . . . . 0.0 118.724 165.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -67.76 152.52 96.26 Favored Pre-proline 0 CA--C 1.553 1.07 0 O-C-N 121.024 -1.048 . . . . 0.0 112.446 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -52.35 -20.31 11.25 Favored 'Trans proline' 0 CA--C 1.543 0.965 1 C-N-CA 125.371 4.047 . . . . 0.0 119.56 -168.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.4 2.39 0.4 Allowed Glycine 0 CA--C 1.535 1.317 0 N-CA-C 116.277 1.271 . . . . 0.0 116.277 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -62.93 -29.92 71.16 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.693 1.247 . . . . 0.0 113.848 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -61.85 -40.36 95.06 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.335 1.054 . . . . 0.0 112.187 -168.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.7 m -59.43 -7.53 1.41 Allowed 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 176.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -135.21 14.6 3.52 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.087 1.755 . . . . 0.0 114.072 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -149.66 -54.12 0.16 Allowed 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 175.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 67.9 m -106.13 -3.76 21.09 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.971 1.309 . . . . 0.0 113.655 -168.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -153.19 20.38 0.57 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 127.124 2.169 . . . . 0.0 113.011 -176.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.253 1.261 0 C-N-CA 127.103 2.161 . . . . 0.0 114.214 -179.429 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.0 m -50.63 136.84 20.79 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.736 1.215 . . . . 0.0 113.417 -174.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.5 t -57.61 151.11 17.77 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.429 1.492 . . . . 0.0 114.055 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -66.38 -14.8 62.65 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 165.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -136.08 -47.97 0.66 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.839 1.256 . . . . 0.0 113.141 -169.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.7 m -82.78 -9.08 59.51 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -166.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.02 33.28 73.52 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.458 1.028 . . . . 0.0 114.479 -178.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -126.53 112.35 23.02 Favored Pre-proline 0 CA--C 1.545 0.762 0 C-N-CA 125.86 1.664 . . . . 0.0 110.646 -166.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -51.39 -32.84 43.95 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 125.098 3.865 . . . . 0.0 116.937 -177.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.14 32.8 1.31 Allowed Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.744 1.64 . . . . 0.0 115.418 -176.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -100.53 157.67 16.49 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.742 1.217 . . . . 0.0 113.389 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.3 mt -154.55 171.56 19.22 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 128.824 2.85 . . . . 0.0 108.628 -173.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.7 m -55.29 -13.5 1.38 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.075 1.75 . . . . 0.0 115.523 171.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.8 p -108.84 -8.26 15.34 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.58 1.952 . . . . 0.0 113.747 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -92.55 -39.05 11.57 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.644 1.178 . . . . 0.0 111.278 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.1 m -142.79 176.09 9.32 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.182 2.193 . . . . 0.0 110.766 166.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -35.7 61.29 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.638 1.175 . . . . 0.0 113.295 176.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.81 159.93 27.43 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 124.759 1.224 . . . . 0.0 112.964 172.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.84 173.9 12.74 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 123.07 2.513 . . . . 0.0 111.46 159.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -53.96 -13.47 0.78 Allowed 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 128.019 2.528 . . . . 0.0 115.776 -178.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.1 -35.55 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 126.008 1.723 . . . . 0.0 112.723 167.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.4 t -150.04 -154.17 0.54 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 125.384 1.474 . . . . 0.0 111.181 -168.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -137.22 -20.9 1.21 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.621 1.968 . . . . 0.0 112.969 169.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -157.15 -55.23 0.08 Allowed 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.38 -31.25 62.3 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -170.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 pttm 42.82 26.78 0.08 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 128.473 2.709 . . . . 0.0 118.303 166.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -67.61 151.73 96.91 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 124.002 0.921 . . . . 0.0 112.357 177.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -51.8 -20.9 10.54 Favored 'Trans proline' 0 C--N 1.354 0.868 1 C-N-CA 125.496 4.131 . . . . 0.0 119.806 -167.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.47 8.72 0.38 Allowed Glycine 0 N--CA 1.475 1.293 0 N-CA-C 116.143 1.217 . . . . 0.0 116.143 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -68.01 -31.35 70.97 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.745 1.273 . . . . 0.0 113.723 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -62.16 -40.25 95.37 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.191 1.396 . . . . 0.0 113.273 -163.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.7 m -63.47 -6.14 4.63 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -128.09 8.08 6.1 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.183 1.793 . . . . 0.0 113.231 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -149.71 -65.88 0.21 Allowed 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.009 0.822 . . . . 0.0 112.923 177.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 73.5 m -91.09 -16.8 27.24 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -165.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.14 15.96 1.89 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.999 1.719 . . . . 0.0 113.326 -172.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.252 1.233 0 C-N-CA 127.474 2.309 . . . . 0.0 114.361 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.4 m -50.46 135.11 22.92 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.853 1.261 . . . . 0.0 113.61 -172.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.0 t -56.93 151.13 15.29 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.59 1.556 . . . . 0.0 114.445 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -66.41 -16.1 63.82 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 165.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -136.19 -47.65 0.65 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.844 1.258 . . . . 0.0 113.046 -168.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 54.0 m -82.4 -9.82 59.3 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -167.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.51 31.53 70.83 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.751 1.167 . . . . 0.0 114.676 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -125.58 115.97 24.94 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 125.779 1.631 . . . . 0.0 110.723 -167.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -51.82 -33.07 49.16 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 125.084 3.856 . . . . 0.0 116.891 -177.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.24 36.85 1.32 Allowed Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.937 1.732 . . . . 0.0 115.345 -175.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -106.63 156.35 18.7 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.902 1.281 . . . . 0.0 113.253 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.0 mt -155.43 173.66 16.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 129.434 3.094 . . . . 0.0 108.121 -176.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.1 p -57.85 -19.76 31.41 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 167.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.5 p -87.85 -3.44 58.94 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.184 1.794 . . . . 0.0 114.229 172.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -114.26 -40.35 3.69 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.307 1.443 . . . . 0.0 111.797 -175.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.4 m -143.58 172.44 12.8 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.882 2.073 . . . . 0.0 110.767 168.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.89 -34.72 60.3 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.321 1.448 . . . . 0.0 113.78 176.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.81 160.26 27.39 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 124.802 1.241 . . . . 0.0 112.526 171.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -73.44 175.3 10.82 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 123.053 2.502 . . . . 0.0 111.399 159.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -53.27 -14.47 0.72 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 127.84 2.456 . . . . 0.0 115.66 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.1 t -55.1 -36.2 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.844 1.658 . . . . 0.0 112.722 167.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 t -149.77 -154.02 0.53 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.47 1.508 . . . . 0.0 111.056 -169.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -139.1 -18.55 1.01 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.91 2.084 . . . . 0.0 113.054 169.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -156.61 -58.98 0.09 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.366 1.067 . . . . 0.0 113.798 -177.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -76.1 -30.04 58.13 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -169.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 pttm 43.27 26.52 0.1 Allowed 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 118.187 2.662 . . . . 0.0 118.187 166.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -68.24 152.93 96.18 Favored Pre-proline 0 CA--C 1.551 0.993 0 O-C-N 121.126 -0.984 . . . . 0.0 112.592 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -52.4 -19.79 10.4 Favored 'Trans proline' 0 CA--C 1.542 0.906 1 C-N-CA 125.495 4.13 . . . . 0.0 119.934 -167.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.1 2.1 0.27 Allowed Glycine 0 CA--C 1.537 1.437 0 N-CA-C 116.318 1.287 . . . . 0.0 116.318 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -64.23 -27.67 69.22 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.553 1.177 . . . . 0.0 114.146 -177.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -63.78 -41.74 97.88 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.586 1.155 . . . . 0.0 112.628 -167.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.9 m -63.88 -5.07 3.83 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -134.17 11.3 3.87 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.119 1.767 . . . . 0.0 113.967 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -149.66 -66.98 0.21 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.733 0.813 . . . . 0.0 112.51 175.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 80.6 m -90.21 -16.28 29.74 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -166.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.85 15.77 1.76 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.005 1.722 . . . . 0.0 113.326 -171.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.251 1.176 0 C-N-CA 127.625 2.37 . . . . 0.0 114.282 -179.536 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 85.1 m -120.21 144.26 47.82 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.127 1.771 . . . . 0.0 109.511 -177.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.8 t -64.3 149.76 47.48 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -172.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -70.27 -17.16 63.1 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 165.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -137.47 -49.44 0.6 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.519 1.128 . . . . 0.0 113.288 -166.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.8 m -72.4 -22.02 61.18 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.655 1.182 . . . . 0.0 113.067 -174.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.63 5.6 45.59 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 125.169 1.366 . . . . 0.0 114.941 -172.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.9 150.13 49.51 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.338 1.455 . . . . 0.0 111.923 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.97 -169.23 0.43 Allowed 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 124.077 3.185 . . . . 0.0 110.729 161.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.1 29.31 72.43 Favored Glycine 0 CA--C 1.535 1.301 0 O-C-N 120.869 -1.144 . . . . 0.0 113.607 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -113.18 144.94 41.82 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.269 1.428 . . . . 0.0 112.026 -173.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.1 mt -155.94 173.49 16.7 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 128.481 2.712 . . . . 0.0 108.789 -171.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 m -54.46 -20.29 7.31 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.52 1.528 . . . . 0.0 114.607 168.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.1 p -93.3 -4.1 52.35 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.493 1.917 . . . . 0.0 114.208 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -109.59 -41.65 4.51 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.338 1.455 . . . . 0.0 111.389 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.3 m -143.24 170.86 14.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.406 2.282 . . . . 0.0 110.564 174.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -56.15 -31.6 63.51 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.805 1.242 . . . . 0.0 113.849 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.84 160.85 29.08 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.122 1.369 . . . . 0.0 111.827 166.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -72.39 174.6 11.29 Favored 'Trans proline' 0 CA--C 1.547 1.139 0 C-N-CA 122.766 2.311 . . . . 0.0 111.413 159.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -53.7 -13.12 0.61 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 127.676 2.39 . . . . 0.0 115.953 -178.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -55.78 -36.41 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 126.009 1.724 . . . . 0.0 112.74 167.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.4 t -149.73 -152.22 0.43 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.519 1.528 . . . . 0.0 110.92 -169.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -139.46 -21.65 0.91 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.75 2.02 . . . . 0.0 113.006 169.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -156.08 -55.99 0.09 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.2 p -76.25 -31.14 58.17 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -170.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.5 pttm 42.67 27.2 0.09 Allowed 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 118.453 2.76 . . . . 0.0 118.453 165.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -68.12 153.23 95.71 Favored Pre-proline 0 CA--C 1.553 1.076 0 O-C-N 121.116 -0.99 . . . . 0.0 112.546 177.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -52.34 -19.29 9.29 Favored 'Trans proline' 0 CA--C 1.544 0.993 1 C-N-CA 125.555 4.17 . . . . 0.0 119.983 -167.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.7 1.09 0.26 Allowed Glycine 0 CA--C 1.536 1.37 0 N-CA-C 116.325 1.29 . . . . 0.0 116.325 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -63.54 -28.0 69.65 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 118.663 1.231 . . . . 0.0 113.956 -177.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -62.42 -41.36 98.64 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.498 1.119 . . . . 0.0 112.221 -170.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.3 m -63.99 -3.75 2.83 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.501 1.52 . . . . 0.0 114.976 176.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -135.11 9.63 3.51 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.907 1.683 . . . . 0.0 114.348 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -150.52 -59.14 0.18 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 79.6 m -100.26 -17.69 17.2 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -165.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.32 3.79 1.96 Allowed 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 126.17 1.788 . . . . 0.0 113.398 -176.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 C--O 1.252 1.195 0 C-N-CA 127.172 2.189 . . . . 0.0 114.021 174.395 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.9 m -51.04 132.96 27.85 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.341 1.457 . . . . 0.0 114.241 -170.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.3 t -53.58 147.28 11.43 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.441 1.497 . . . . 0.0 113.973 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.41 -15.21 60.15 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 167.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -140.2 -40.54 0.43 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -172.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.9 m -75.54 -15.9 60.33 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -177.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.87 32.39 74.76 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.238 0.923 . . . . 0.0 114.339 -175.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -123.28 114.78 28.97 Favored Pre-proline 0 N--CA 1.475 0.806 0 C-N-CA 125.804 1.642 . . . . 0.0 110.948 -167.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 99.6 Cg_exo -51.29 -34.18 48.48 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 125.239 3.96 . . . . 0.0 117.112 -175.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.0 31.47 1.31 Allowed Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.623 1.582 . . . . 0.0 115.509 -175.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -98.46 156.3 16.83 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 122.514 1.149 . . . . 0.0 113.504 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.2 mt -153.86 172.3 17.59 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 128.757 2.823 . . . . 0.0 108.735 -173.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.2 m -54.45 -12.58 0.72 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.623 1.969 . . . . 0.0 116.042 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.0 m -120.27 2.27 10.83 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.841 1.657 . . . . 0.0 113.377 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -93.28 -42.43 9.33 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.282 1.033 . . . . 0.0 110.803 174.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.1 m -142.06 178.13 7.74 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.568 2.347 . . . . 0.0 109.997 164.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -36.72 63.58 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.579 1.152 . . . . 0.0 113.465 178.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.73 160.49 25.4 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 124.587 1.155 . . . . 0.0 113.303 173.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -71.89 169.48 21.14 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 122.959 2.44 . . . . 0.0 111.186 158.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -59.49 -4.75 0.66 Allowed 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 116.693 2.108 . . . . 0.0 116.693 -177.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.4 t -56.52 -34.6 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.317 1.447 . . . . 0.0 111.999 163.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 t -148.83 -155.55 0.64 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.878 1.671 . . . . 0.0 111.018 -170.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -135.58 -19.82 1.61 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.563 1.945 . . . . 0.0 112.992 168.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -157.16 -55.45 0.08 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.52 -30.37 61.76 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -170.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.2 pttm 42.74 26.63 0.07 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 118.468 2.766 . . . . 0.0 118.468 166.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -67.73 152.09 96.61 Favored Pre-proline 0 CA--C 1.552 1.038 0 O-C-N 121.149 -0.969 . . . . 0.0 112.449 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -51.75 -20.71 10.03 Favored 'Trans proline' 0 C--N 1.356 0.936 1 C-N-CA 125.493 4.129 . . . . 0.0 119.901 -167.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.25 4.09 0.33 Allowed Glycine 0 N--CA 1.478 1.448 0 N-CA-C 116.299 1.28 . . . . 0.0 116.299 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -65.43 -30.13 70.9 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.767 1.284 . . . . 0.0 113.951 -177.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -61.82 -39.29 91.26 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.026 1.33 . . . . 0.0 113.103 -164.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.2 m -62.93 -5.53 2.99 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.188 1.395 . . . . 0.0 114.725 176.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -126.6 3.67 6.82 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.221 1.809 . . . . 0.0 113.434 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -150.47 -63.56 0.2 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.657 0.783 . . . . 0.0 112.94 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 66.6 m -91.62 -17.54 25.4 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -165.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.99 15.58 1.91 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.077 1.751 . . . . 0.0 113.292 -171.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--O 1.253 1.24 0 C-N-CA 127.537 2.335 . . . . 0.0 114.32 -179.865 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 . . . . . 0 N--CA 1.485 1.317 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 m -51.31 135.32 26.87 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.077 1.351 . . . . 0.0 113.921 -171.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.9 t -55.53 151.28 10.72 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.872 1.669 . . . . 0.0 114.065 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -65.57 -15.8 63.07 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 165.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -136.07 -49.75 0.69 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.895 1.278 . . . . 0.0 113.145 -168.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.3 m -81.16 -19.28 43.76 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -166.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.12 5.75 54.53 Favored Glycine 0 CA--C 1.541 1.668 0 C-N-CA 125.026 1.298 . . . . 0.0 115.866 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.31 123.6 74.83 Favored Pre-proline 0 N--CA 1.479 1.024 0 CA-C-N 119.196 1.498 . . . . 0.0 110.682 176.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -53.9 -31.78 64.47 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 124.725 3.617 . . . . 0.0 115.874 174.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.45 32.68 1.6 Allowed Glycine 0 CA--C 1.535 1.341 0 C-N-CA 125.775 1.655 . . . . 0.0 115.313 -175.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -96.9 156.25 16.43 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 122.538 1.161 . . . . 0.0 113.41 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.7 mt -153.12 170.5 20.36 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 128.797 2.839 . . . . 0.0 108.624 -173.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.2 m -55.71 -12.99 1.44 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.206 1.802 . . . . 0.0 115.689 173.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.7 p -111.48 -8.95 14.24 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.434 1.894 . . . . 0.0 113.769 177.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -86.74 -41.55 14.04 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.413 1.085 . . . . 0.0 110.861 176.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.9 m -144.3 175.29 10.2 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.849 2.459 . . . . 0.0 110.108 168.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -55.88 -33.68 64.8 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.099 1.36 . . . . 0.0 113.941 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.71 161.02 25.36 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 124.365 1.066 . . . . 0.0 113.325 172.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -73.16 174.2 12.43 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 123.247 2.632 . . . . 0.0 111.647 158.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -55.62 -10.42 0.68 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 127.134 2.173 . . . . 0.0 115.802 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.8 t -56.67 -36.06 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.686 1.594 . . . . 0.0 112.344 166.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.2 t -149.31 -152.8 0.46 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.511 1.524 . . . . 0.0 111.051 -169.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -137.91 -22.06 1.08 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.744 2.017 . . . . 0.0 112.852 169.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -157.27 -53.9 0.08 Allowed 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.09 -31.45 62.83 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -170.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 pttm 42.84 25.89 0.06 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 118.509 2.781 . . . . 0.0 118.509 166.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -67.22 152.56 95.98 Favored Pre-proline 0 CA--C 1.551 1.017 0 O-C-N 121.17 -0.956 . . . . 0.0 112.45 177.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -52.23 -19.13 8.67 Favored 'Trans proline' 0 CA--C 1.544 0.993 1 C-N-CA 125.578 4.185 . . . . 0.0 120.009 -167.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.64 -0.01 0.24 Allowed Glycine 0 CA--C 1.538 1.492 0 N-CA-C 116.28 1.272 . . . . 0.0 116.28 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -62.77 -29.2 70.52 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.691 1.246 . . . . 0.0 114.082 -177.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -61.53 -41.75 97.81 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.042 1.337 . . . . 0.0 112.494 -167.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.5 m -62.02 -5.74 2.41 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.229 1.412 . . . . 0.0 114.725 175.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -128.1 2.2 5.85 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.69 1.996 . . . . 0.0 113.444 -176.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -151.29 -56.2 0.15 Allowed 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 82.0 m -101.3 -18.65 16.0 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -165.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -139.4 4.3 2.18 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.702 2.001 . . . . 0.0 112.963 -176.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.2 p . . . . . 0 C--O 1.254 1.327 0 C-N-CA 127.29 2.236 . . . . 0.0 113.935 174.462 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 91.0 m -125.29 142.87 51.25 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.007 1.723 . . . . 0.0 109.722 -176.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 t -63.65 149.25 46.94 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 -172.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -67.42 -22.3 65.53 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 166.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -139.71 -39.75 0.46 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -167.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.4 m -69.52 -22.37 63.59 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.079 0.952 . . . . 0.0 113.056 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.5 2.27 20.16 Favored Glycine 0 CA--C 1.542 1.72 0 C-N-CA 125.267 1.413 . . . . 0.0 114.864 -170.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -83.67 146.22 49.28 Favored Pre-proline 0 N--CA 1.472 0.651 0 C-N-CA 125.63 1.572 . . . . 0.0 112.345 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -70.23 -171.1 0.47 Allowed 'Trans proline' 0 CA--C 1.545 1.047 0 C-N-CA 123.739 2.959 . . . . 0.0 111.015 161.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.07 29.77 73.69 Favored Glycine 0 CA--C 1.535 1.283 0 O-C-N 120.848 -1.157 . . . . 0.0 113.538 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -113.81 146.16 40.37 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 125.256 1.423 . . . . 0.0 112.145 -173.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.1 mt -155.56 173.38 16.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 128.429 2.691 . . . . 0.0 108.932 -171.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.8 m -54.95 -20.27 8.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.45 1.5 . . . . 0.0 114.624 168.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.7 p -92.74 -5.4 51.32 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.412 1.885 . . . . 0.0 114.126 175.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -107.36 -41.55 5.06 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.252 1.421 . . . . 0.0 111.294 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.7 m -143.8 171.32 14.38 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.452 2.301 . . . . 0.0 110.674 174.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -55.03 -32.21 61.67 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.949 1.299 . . . . 0.0 113.879 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.72 160.0 29.44 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 124.779 1.232 . . . . 0.0 111.956 167.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -72.38 173.85 12.48 Favored 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 122.794 2.329 . . . . 0.0 111.233 158.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -55.35 -12.07 0.96 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 127.112 2.165 . . . . 0.0 115.918 -176.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.1 t -55.31 -36.2 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.826 1.65 . . . . 0.0 112.703 167.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.5 t -150.26 -153.97 0.52 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.376 1.47 . . . . 0.0 111.271 -169.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -138.49 -19.2 1.08 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.853 2.061 . . . . 0.0 112.975 169.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -155.38 -59.01 0.1 Allowed 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -176.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.9 p -79.29 -28.74 42.27 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -169.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.4 pttm 42.87 28.56 0.14 Allowed 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 118.126 2.639 . . . . 0.0 118.126 164.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -67.93 152.18 96.59 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 123.949 0.9 . . . . 0.0 112.385 177.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -51.99 -21.8 13.07 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 125.289 3.993 . . . . 0.0 119.696 -167.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.71 8.59 0.45 Allowed Glycine 0 N--CA 1.477 1.367 0 N-CA-C 116.024 1.17 . . . . 0.0 116.024 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -67.66 -30.77 70.41 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.707 1.253 . . . . 0.0 113.658 -178.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -62.62 -40.64 97.61 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.873 1.269 . . . . 0.0 113.34 -161.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.7 m -63.31 -5.25 3.24 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 176.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -128.03 7.79 6.1 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.273 1.829 . . . . 0.0 113.282 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -150.2 -62.86 0.21 Allowed 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.155 0.889 . . . . 0.0 113.197 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 85.0 m -95.35 -15.87 22.78 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 -165.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.0 15.49 1.91 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.127 1.771 . . . . 0.0 113.259 -172.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.255 1.385 0 C-N-CA 127.632 2.373 . . . . 0.0 114.382 -179.575 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.713 0.292 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 93.8 m -123.4 145.55 48.69 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.652 1.981 . . . . 0.0 109.427 -175.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 t -64.74 150.67 46.9 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -175.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -70.35 -18.14 63.07 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 165.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -140.7 -43.63 0.4 Allowed 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -166.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.0 m -69.2 -21.49 63.95 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.134 0.973 . . . . 0.0 113.474 -177.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.87 23.7 71.09 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 124.225 0.917 . . . . 0.0 113.953 -172.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -111.73 146.83 35.53 Favored Pre-proline 0 N--CA 1.475 0.812 0 C-N-CA 125.829 1.652 . . . . 0.0 111.936 -174.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -72.28 -168.98 0.42 Allowed 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 123.968 3.112 . . . . 0.0 110.638 163.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 61.47 29.33 71.39 Favored Glycine 0 CA--C 1.535 1.285 0 O-C-N 120.925 -1.11 . . . . 0.0 113.136 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -115.65 150.94 35.93 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.358 1.463 . . . . 0.0 111.681 -173.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.3 mt -153.78 171.2 19.27 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.921 2.488 . . . . 0.0 108.844 -173.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 m -57.01 -3.46 0.12 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.303 2.241 . . . . 0.0 115.886 171.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.0 p -122.25 -13.22 8.15 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.009 2.124 . . . . 0.0 113.662 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -78.13 -39.46 41.15 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.02 0.928 . . . . 0.0 110.644 170.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.9 m -139.88 174.37 10.58 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.629 2.372 . . . . 0.0 110.263 173.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -34.07 57.22 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.539 1.135 . . . . 0.0 113.236 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.94 160.02 30.11 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.661 1.584 . . . . 0.0 111.075 167.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.18 175.71 9.53 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 122.61 2.207 . . . . 0.0 111.287 159.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -53.1 -14.45 0.64 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 127.483 2.313 . . . . 0.0 115.602 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.9 t -54.13 -37.12 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.14 1.776 . . . . 0.0 112.955 167.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.6 t -149.61 -152.28 0.43 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.436 1.494 . . . . 0.0 111.083 -169.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -141.51 -23.35 0.73 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.85 2.06 . . . . 0.0 112.972 170.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -155.28 -54.69 0.09 Allowed 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.201 1.185 . . . . 0.0 114.201 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.1 p -76.86 -30.02 56.1 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -170.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.0 pttm 43.6 26.75 0.13 Allowed 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 118.359 2.725 . . . . 0.0 118.359 164.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -68.42 152.71 96.42 Favored Pre-proline 0 CA--C 1.552 1.033 0 O-C-N 121.151 -0.968 . . . . 0.0 112.576 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -52.48 -19.57 10.23 Favored 'Trans proline' 0 CA--C 1.544 1.0 1 C-N-CA 125.553 4.168 . . . . 0.0 119.901 -167.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.66 1.63 0.28 Allowed Glycine 0 N--CA 1.478 1.442 0 N-CA-C 116.317 1.287 . . . . 0.0 116.317 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -63.51 -28.52 70.01 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.611 1.206 . . . . 0.0 114.213 -177.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -61.4 -42.74 99.21 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.85 1.26 . . . . 0.0 112.596 -170.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.5 m -64.47 -6.09 6.65 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -129.98 7.07 5.08 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.959 1.704 . . . . 0.0 113.795 176.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -147.18 -88.18 0.09 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.655 1.182 . . . . 0.0 110.871 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.1 m -69.41 -18.49 63.76 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -166.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.89 13.74 2.68 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.959 1.704 . . . . 0.0 113.158 -174.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--O 1.254 1.338 0 C-N-CA 126.791 2.037 . . . . 0.0 112.832 178.137 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.6 m -51.63 134.08 30.18 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.244 1.418 . . . . 0.0 114.102 -171.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.0 t -54.51 151.53 7.75 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.996 1.718 . . . . 0.0 114.104 178.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -61.7 -23.68 66.27 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 166.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -131.57 -47.06 0.97 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.094 1.358 . . . . 0.0 113.272 -168.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.3 m -77.59 -10.1 59.31 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -167.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.98 33.15 72.69 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.64 1.114 . . . . 0.0 114.179 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -126.25 112.64 23.7 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 125.761 1.624 . . . . 0.0 110.579 -166.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -51.99 -32.88 50.05 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 124.867 3.711 . . . . 0.0 116.632 -176.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.64 32.59 1.2 Allowed Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.747 1.642 . . . . 0.0 115.472 -176.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -100.25 158.22 16.03 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.698 1.237 . . . . 0.0 113.366 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -152.1 169.71 21.73 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 129.686 3.194 . . . . 0.0 107.58 -177.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 m -57.71 -11.84 2.48 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 172.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.2 p -102.8 -10.97 18.66 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.64 1.976 . . . . 0.0 113.966 175.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -90.57 -43.91 9.9 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.936 1.294 . . . . 0.0 110.856 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 55.7 m -140.73 168.72 19.13 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.221 2.609 . . . . 0.0 108.297 162.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -27.8 52.42 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -177.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.33 153.06 19.19 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 124.563 1.145 . . . . 0.0 112.784 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.0 173.18 14.92 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 123.752 2.968 . . . . 0.0 111.674 163.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -57.02 -15.06 4.31 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 -176.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.2 t -52.38 -32.46 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 125.652 1.581 . . . . 0.0 112.451 168.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.1 t -146.64 -159.99 1.1 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.248 1.819 . . . . 0.0 110.79 -173.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -137.24 -7.13 1.78 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.215 2.206 . . . . 0.0 113.074 168.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -162.98 -61.45 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.087 1.355 . . . . 0.0 113.267 -178.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.75 -33.91 66.67 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.391 1.876 . . . . 0.0 114.981 -167.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.8 pttm 44.05 22.84 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 128.499 2.72 . . . . 0.0 118.209 169.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -67.82 151.99 96.72 Favored Pre-proline 0 CA--C 1.552 1.022 0 O-C-N 121.091 -1.005 . . . . 0.0 112.153 177.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -51.45 -23.91 15.33 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 125.246 3.964 . . . . 0.0 119.492 -166.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.49 5.94 0.55 Allowed Glycine 0 N--CA 1.476 1.347 0 N-CA-C 115.942 1.137 . . . . 0.0 115.942 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -64.05 -30.64 71.7 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.602 1.201 . . . . 0.0 113.827 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -61.02 -41.99 97.6 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.685 1.194 . . . . 0.0 112.619 -167.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.5 m -60.72 -5.96 1.51 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 175.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.12 6.61 5.95 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.815 2.046 . . . . 0.0 113.134 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -151.21 -55.46 0.15 Allowed 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 60.3 m -100.82 -4.47 27.89 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.246 1.418 . . . . 0.0 113.769 -168.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -152.09 18.96 0.67 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.017 2.127 . . . . 0.0 113.139 -175.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.3 m . . . . . 0 C--O 1.254 1.313 0 C-N-CA 126.868 2.067 . . . . 0.0 114.116 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 m -52.37 135.31 33.32 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.014 1.325 . . . . 0.0 113.96 -170.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.9 t -56.24 147.09 21.66 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.177 1.391 . . . . 0.0 113.814 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -13.88 56.2 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 166.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -134.79 -50.24 0.77 Allowed 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.975 1.31 . . . . 0.0 113.015 -171.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.0 m -80.98 -20.0 42.83 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -167.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.35 5.78 55.81 Favored Glycine 0 CA--C 1.542 1.743 0 C-N-CA 125.062 1.315 . . . . 0.0 116.025 -177.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.13 121.67 77.22 Favored Pre-proline 0 N--CA 1.481 1.083 0 CA-C-N 119.2 1.5 . . . . 0.0 110.77 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -54.25 -32.71 72.31 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 124.481 3.454 . . . . 0.0 115.946 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.01 20.32 3.07 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.571 1.558 . . . . 0.0 115.573 -176.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -79.74 161.94 25.45 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 122.536 1.16 . . . . 0.0 113.42 173.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -150.34 171.25 17.28 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 128.266 2.626 . . . . 0.0 109.054 -174.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.1 t -55.07 -15.4 2.1 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.029 1.731 . . . . 0.0 115.159 174.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.0 p -117.47 -8.04 11.05 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.601 1.961 . . . . 0.0 114.334 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -77.56 -40.12 43.52 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.016 0.826 . . . . 0.0 111.149 176.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.1 m -140.04 178.56 7.18 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.988 2.515 . . . . 0.0 109.39 164.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.96 -38.83 62.47 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.268 1.027 . . . . 0.0 113.26 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.53 160.18 29.54 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 124.998 1.319 . . . . 0.0 112.529 173.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -71.56 170.63 18.08 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 122.933 2.422 . . . . 0.0 111.119 159.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -58.57 -6.08 0.66 Allowed 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 116.668 2.099 . . . . 0.0 116.668 -177.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.4 t -56.91 -35.07 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.306 1.443 . . . . 0.0 112.129 164.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.0 t -147.88 -154.46 0.55 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.787 1.635 . . . . 0.0 110.862 -172.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -139.84 -19.72 0.91 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.904 2.082 . . . . 0.0 112.831 169.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -158.0 -55.34 0.07 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.555 1.142 . . . . 0.0 113.711 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -33.12 68.68 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.25 1.42 . . . . 0.0 114.739 -170.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.3 pttt 42.89 26.25 0.07 Allowed 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 128.588 2.755 . . . . 0.0 118.375 167.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -70.16 152.62 95.69 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 124.105 0.962 . . . . 0.0 112.324 176.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.01 -19.44 11.54 Favored 'Trans proline' 0 C--N 1.356 0.949 1 C-N-CA 125.332 4.021 . . . . 0.0 119.786 -168.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.86 0.78 0.24 Allowed Glycine 0 N--CA 1.478 1.453 0 N-CA-C 116.352 1.301 . . . . 0.0 116.352 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -63.29 -28.51 70.07 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.631 1.216 . . . . 0.0 114.276 -177.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -62.55 -40.85 98.14 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.88 1.272 . . . . 0.0 112.894 -167.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.9 m -63.47 -4.45 2.78 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.04 1.336 . . . . 0.0 114.602 175.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -129.71 3.83 4.99 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.546 1.938 . . . . 0.0 112.955 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -152.08 -63.11 0.17 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.178 0.991 . . . . 0.0 112.883 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 62.9 m -91.91 -17.89 24.55 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -164.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -144.16 14.29 1.65 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.066 1.746 . . . . 0.0 113.197 -170.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.254 1.31 0 C-N-CA 127.684 2.394 . . . . 0.0 114.464 -178.854 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.5 m -51.01 136.99 22.19 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.895 1.278 . . . . 0.0 113.519 -174.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.64 150.69 22.57 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.346 1.458 . . . . 0.0 114.013 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -66.25 -15.66 63.38 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 165.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -135.0 -48.39 0.73 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.957 1.303 . . . . 0.0 113.015 -168.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 54.9 m -82.05 -9.84 59.42 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -168.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.59 33.67 73.07 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.74 1.162 . . . . 0.0 114.567 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 tpmt? -126.2 115.43 23.7 Favored Pre-proline 0 N--CA 1.475 0.798 0 C-N-CA 125.237 1.415 . . . . 0.0 111.125 -169.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -51.81 -32.77 47.74 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 125.042 3.828 . . . . 0.0 117.125 -176.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.1 24.5 1.66 Allowed Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.44 1.495 . . . . 0.0 115.562 -176.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -89.32 161.32 16.42 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.581 1.181 . . . . 0.0 113.622 177.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -151.12 169.6 21.46 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 128.746 2.818 . . . . 0.0 108.728 -174.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.1 p -58.33 -11.82 3.15 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 169.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.8 p -108.28 -10.56 15.35 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.52 1.928 . . . . 0.0 113.865 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -86.79 -38.68 16.64 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.406 1.082 . . . . 0.0 111.36 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.2 m -142.47 176.08 9.29 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.334 2.253 . . . . 0.0 110.721 167.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -35.27 59.2 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.75 1.22 . . . . 0.0 113.425 177.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.23 160.2 26.49 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 124.711 1.204 . . . . 0.0 112.547 171.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -71.75 172.75 13.83 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 122.85 2.367 . . . . 0.0 111.322 158.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -55.32 -13.8 1.54 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 127.462 2.305 . . . . 0.0 115.537 -178.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.03 -34.64 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 126.005 1.722 . . . . 0.0 112.603 166.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.4 t -149.27 -152.71 0.45 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.517 1.527 . . . . 0.0 111.051 -170.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -140.2 -22.14 0.84 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.793 2.037 . . . . 0.0 112.903 170.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -156.74 -53.97 0.08 Allowed 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.58 -31.36 62.04 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -171.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.9 pttm 43.31 25.76 0.08 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 118.434 2.753 . . . . 0.0 118.434 165.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -68.08 152.3 96.56 Favored Pre-proline 0 CA--C 1.554 1.108 0 O-C-N 121.104 -0.998 . . . . 0.0 112.407 177.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -52.57 -19.42 10.19 Favored 'Trans proline' 0 CA--C 1.543 0.973 1 C-N-CA 125.467 4.112 . . . . 0.0 119.963 -167.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.03 1.33 0.25 Allowed Glycine 0 N--CA 1.478 1.435 0 N-CA-C 116.327 1.291 . . . . 0.0 116.327 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -63.61 -28.55 70.0 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 118.63 1.215 . . . . 0.0 114.148 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -63.4 -40.3 96.83 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.37 1.068 . . . . 0.0 113.066 -164.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.7 m -62.83 -7.35 4.89 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -134.08 15.41 3.86 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.179 1.792 . . . . 0.0 113.676 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -148.86 -46.35 0.15 Allowed 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 176.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 85.2 m -114.97 -24.17 8.73 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -165.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -126.01 12.07 7.74 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 127.695 2.398 . . . . 0.0 112.137 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.253 1.281 0 C-N-CA 127.61 2.364 . . . . 0.0 114.474 -177.629 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.5 m -50.49 135.01 23.22 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.903 1.281 . . . . 0.0 113.568 -173.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.7 t -57.05 150.48 17.03 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.594 1.558 . . . . 0.0 114.416 -178.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -67.14 -14.55 63.01 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 166.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -135.13 -48.37 0.73 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.949 1.299 . . . . 0.0 113.044 -170.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 44.3 m -83.3 -11.77 57.37 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.63 1.172 . . . . 0.0 114.089 -167.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.56 23.89 63.36 Favored Glycine 0 CA--C 1.539 1.593 0 C-N-CA 124.87 1.224 . . . . 0.0 115.442 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -115.65 122.88 32.09 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 125.33 1.452 . . . . 0.0 110.979 -172.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -52.49 -34.17 60.77 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 124.932 3.755 . . . . 0.0 116.549 -176.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.37 35.69 1.34 Allowed Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.937 1.732 . . . . 0.0 115.388 -174.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -103.61 155.77 18.3 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.722 1.209 . . . . 0.0 113.104 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.9 mt -155.14 172.46 18.11 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 129.094 2.958 . . . . 0.0 108.406 -174.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m -54.85 -18.54 4.98 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.649 1.58 . . . . 0.0 114.882 170.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.6 p -98.5 -6.49 30.18 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.481 1.912 . . . . 0.0 114.039 176.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -101.64 -42.23 6.29 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.969 1.308 . . . . 0.0 111.373 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.8 m -142.85 174.47 10.63 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 127.241 2.216 . . . . 0.0 110.706 168.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -36.07 63.34 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.541 1.136 . . . . 0.0 113.423 178.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.75 160.14 27.54 Favored Pre-proline 0 CA--C 1.549 0.922 0 C-N-CA 124.74 1.216 . . . . 0.0 112.885 174.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.99 173.72 13.14 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 123.073 2.515 . . . . 0.0 111.412 159.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -53.98 -13.94 0.91 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 127.599 2.36 . . . . 0.0 115.704 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.1 t -54.82 -36.61 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 126.097 1.759 . . . . 0.0 112.785 167.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.1 t -149.44 -156.1 0.69 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.368 1.467 . . . . 0.0 111.173 -168.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -136.82 -17.88 1.41 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.814 2.045 . . . . 0.0 113.011 169.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -157.22 -58.25 0.08 Allowed 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.58 -29.83 59.45 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -169.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 pttm 43.12 26.9 0.1 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 128.405 2.682 . . . . 0.0 118.22 166.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -69.03 153.06 96.48 Favored Pre-proline 0 CA--C 1.552 1.056 0 O-C-N 121.233 -0.917 . . . . 0.0 112.463 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -53.16 -17.8 8.95 Favored 'Trans proline' 0 CA--C 1.544 1.001 1 C-N-CA 125.387 4.058 . . . . 0.0 120.047 -168.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.21 -1.63 0.18 Allowed Glycine 0 N--CA 1.478 1.487 0 N-CA-C 116.621 1.408 . . . . 0.0 116.621 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -61.95 -28.67 69.71 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -62.83 -40.57 97.82 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.952 1.301 . . . . 0.0 112.84 -168.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.7 m -62.87 -8.06 6.3 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -130.26 8.84 5.14 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.103 1.761 . . . . 0.0 113.894 177.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -147.35 -81.25 0.14 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.094 0.958 . . . . 0.0 111.158 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 62.7 m -76.53 -17.68 59.12 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -166.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.29 13.45 2.81 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.294 1.838 . . . . 0.0 112.986 -175.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.961 2.104 . . . . 0.0 112.915 177.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.2 m -50.5 136.16 21.36 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.822 1.249 . . . . 0.0 113.498 -174.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.7 t -56.81 151.62 14.0 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.523 1.529 . . . . 0.0 114.215 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -66.68 -15.22 63.35 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 165.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -136.01 -47.16 0.65 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.891 1.276 . . . . 0.0 113.215 -169.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.0 m -82.92 -8.67 59.55 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -166.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.98 33.96 76.55 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.43 1.014 . . . . 0.0 114.452 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -128.17 111.69 19.88 Favored Pre-proline 0 N--CA 1.474 0.745 0 C-N-CA 125.872 1.669 . . . . 0.0 110.705 -166.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -51.06 -32.72 40.16 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 125.25 3.967 . . . . 0.0 116.877 -177.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.9 34.66 1.24 Allowed Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.769 1.652 . . . . 0.0 115.328 -177.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -103.43 158.69 16.17 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.843 1.257 . . . . 0.0 113.279 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.3 mt -153.66 171.27 19.08 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 129.236 3.014 . . . . 0.0 108.183 -175.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.9 p -58.23 -16.85 15.39 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 168.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.6 p -94.56 -9.05 36.43 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.08 1.752 . . . . 0.0 113.967 173.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -99.04 -42.36 7.14 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.813 1.245 . . . . 0.0 111.343 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.2 m -142.79 172.97 11.97 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.384 2.274 . . . . 0.0 110.459 168.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.409 ' H ' ' HD2' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -54.47 -34.11 60.94 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.194 1.398 . . . . 0.0 113.772 -178.692 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.08 159.97 29.02 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.195 1.398 . . . . 0.0 112.127 170.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -72.52 174.65 11.31 Favored 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 123.078 2.519 . . . . 0.0 111.249 159.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -54.81 -12.39 0.78 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 127.547 2.339 . . . . 0.0 115.726 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -55.77 -36.64 43.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.889 1.676 . . . . 0.0 112.713 167.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.2 t -149.36 -153.64 0.51 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.499 1.52 . . . . 0.0 111.014 -169.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -139.59 -19.64 0.94 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.746 2.018 . . . . 0.0 113.002 170.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -156.77 -56.73 0.08 Allowed 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -178.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.6 p -77.31 -29.18 53.55 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -169.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.2 pttm 43.52 26.64 0.12 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 118.17 2.656 . . . . 0.0 118.17 164.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -68.18 153.17 95.85 Favored Pre-proline 0 CA--C 1.553 1.063 0 O-C-N 121.044 -1.035 . . . . 0.0 112.55 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_exo -52.55 -19.56 10.4 Favored 'Trans proline' 0 CA--C 1.544 1.012 1 C-N-CA 125.534 4.156 . . . . 0.0 119.941 -167.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.7 0.42 0.24 Allowed Glycine 0 N--CA 1.478 1.442 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -63.03 -28.0 69.79 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -177.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -62.19 -41.44 98.34 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.623 1.169 . . . . 0.0 112.577 -168.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.5 m -63.52 -4.21 2.69 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -135.46 10.85 3.47 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.014 1.726 . . . . 0.0 114.246 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -150.42 -55.87 0.16 Allowed 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 77.4 m -105.34 -17.71 14.36 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -165.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -139.3 3.91 2.18 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.225 1.81 . . . . 0.0 113.286 -177.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.1 p . . . . . 0 C--O 1.254 1.308 0 C-N-CA 127.215 2.206 . . . . 0.0 113.932 173.802 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.2 m -51.17 136.78 23.51 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.181 1.392 . . . . 0.0 113.948 -171.683 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.4 t -57.64 151.28 17.52 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.455 1.502 . . . . 0.0 113.798 178.14 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -66.1 -16.1 63.66 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 166.397 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -141.21 -42.45 0.38 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -171.33 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.2 m -74.84 -24.16 58.55 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -175.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.71 6.82 56.98 Favored Glycine 0 CA--C 1.542 1.726 0 C-N-CA 124.869 1.223 . . . . 0.0 115.852 -174.488 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.71 123.28 76.39 Favored Pre-proline 0 N--CA 1.48 1.056 0 CA-C-N 119.183 1.491 . . . . 0.0 110.891 177.275 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -54.37 -32.35 71.95 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 124.688 3.592 . . . . 0.0 116.045 175.644 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.91 28.08 1.92 Allowed Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.491 1.519 . . . . 0.0 115.329 -175.265 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -89.97 159.84 16.69 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 122.544 1.164 . . . . 0.0 113.591 177.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.6 mt -150.39 169.48 21.32 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 128.546 2.738 . . . . 0.0 108.842 -173.436 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.9 p -57.71 -12.58 3.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.838 1.655 . . . . 0.0 115.298 171.323 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.0 p -110.13 -10.53 14.66 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.567 1.947 . . . . 0.0 113.871 175.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -83.77 -39.83 19.55 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.276 1.03 . . . . 0.0 111.306 178.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.5 m -143.75 175.84 9.69 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.984 2.514 . . . . 0.0 110.087 168.599 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -53.99 -32.89 55.49 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.271 1.428 . . . . 0.0 113.986 177.028 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.77 160.29 25.31 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 124.506 1.122 . . . . 0.0 113.007 169.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -71.12 170.0 19.21 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 122.83 2.353 . . . . 0.0 111.172 156.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -55.44 -16.63 3.9 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.741 2.016 . . . . 0.0 115.783 -175.603 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.4 t -53.85 -31.45 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 126.011 1.724 . . . . 0.0 112.559 169.413 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.0 t -147.41 -156.78 0.75 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.267 1.827 . . . . 0.0 110.543 -173.598 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -137.23 -20.77 1.21 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.157 2.183 . . . . 0.0 113.167 170.056 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -156.87 -54.84 0.08 Allowed 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -177.64 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.35 -30.95 62.24 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -171.555 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.7 pttm 43.73 24.11 0.06 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 118.632 2.827 . . . . 0.0 118.632 165.588 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -67.98 151.51 97.14 Favored Pre-proline 0 CA--C 1.553 1.074 0 O-C-N 121.089 -1.007 . . . . 0.0 112.217 178.009 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -51.58 -24.4 17.07 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 125.158 3.905 . . . . 0.0 119.29 -167.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.83 11.36 0.71 Allowed Glycine 0 N--CA 1.476 1.307 0 N-CA-C 115.812 1.085 . . . . 0.0 115.812 -178.059 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -68.44 -30.26 69.09 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.652 1.226 . . . . 0.0 113.701 -179.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -60.69 -41.33 94.91 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.399 1.079 . . . . 0.0 112.823 -164.677 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.8 m -60.48 -5.09 1.05 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 175.704 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -127.33 6.29 6.37 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.633 1.973 . . . . 0.0 113.425 178.19 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -152.65 -48.6 0.1 Allowed 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 69.2 m -110.64 -4.99 15.14 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.131 1.372 . . . . 0.0 113.544 -167.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 tpp85 -149.31 3.38 0.58 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 127.265 2.226 . . . . 0.0 113.618 179.512 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.252 1.206 0 C-N-CA 126.879 2.072 . . . . 0.0 113.865 173.657 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.0 m -49.73 136.99 16.68 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.133 1.373 . . . . 0.0 114.096 -173.071 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.3 t -56.06 153.19 9.32 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.821 1.648 . . . . 0.0 114.144 178.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -66.49 -15.16 63.15 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 165.204 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -138.18 -48.67 0.54 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.928 1.291 . . . . 0.0 113.5 -169.496 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.8 m -80.75 -9.93 59.77 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 -165.404 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.58 28.57 69.96 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.388 0.994 . . . . 0.0 114.967 -179.559 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -118.17 113.61 37.24 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 125.891 1.676 . . . . 0.0 111.218 -172.613 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -51.1 -32.57 39.97 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 125.118 3.878 . . . . 0.0 116.292 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.79 26.5 1.4 Allowed Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.629 1.585 . . . . 0.0 115.43 -177.86 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -90.9 156.95 17.62 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 122.604 1.193 . . . . 0.0 113.645 177.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.9 mt -154.61 171.95 18.65 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 129.253 3.021 . . . . 0.0 108.267 -175.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.1 m -55.71 -18.01 7.19 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.204 1.402 . . . . 0.0 114.761 169.101 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.1 p -97.92 -4.62 36.06 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.506 1.923 . . . . 0.0 114.026 175.787 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -104.52 -40.57 6.0 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.02 1.328 . . . . 0.0 111.377 -178.365 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.0 m -142.68 172.91 12.05 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.503 1.921 . . . . 0.0 111.069 164.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.429 ' H ' ' NE ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -48.39 -37.38 16.76 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.908 2.083 . . . . 0.0 113.619 175.148 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.77 159.93 27.52 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.749 1.219 . . . . 0.0 112.72 169.354 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -71.99 174.52 11.15 Favored 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 123.158 2.572 . . . . 0.0 111.394 158.611 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -55.07 -13.56 1.22 Allowed 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 127.135 2.174 . . . . 0.0 115.672 -178.12 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.9 t -54.58 -34.5 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.77 1.628 . . . . 0.0 112.676 167.388 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.3 t -150.44 -152.14 0.42 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.257 1.423 . . . . 0.0 111.144 -169.905 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -138.77 -22.18 0.97 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.015 2.126 . . . . 0.0 112.792 169.41 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -157.08 -54.83 0.08 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -179.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -73.91 -32.21 63.44 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -170.175 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.9 pttm 42.56 26.14 0.06 Allowed 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 118.531 2.789 . . . . 0.0 118.531 166.408 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -67.22 152.39 96.16 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 124.108 0.963 . . . . 0.0 112.395 177.671 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -51.84 -19.84 8.8 Favored 'Trans proline' 0 CA--C 1.542 0.891 1 C-N-CA 125.554 4.169 . . . . 0.0 120.001 -167.175 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.6 1.53 0.28 Allowed Glycine 0 N--CA 1.477 1.398 0 N-CA-C 116.302 1.281 . . . . 0.0 116.302 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -63.64 -29.85 71.04 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.644 1.222 . . . . 0.0 113.889 -177.378 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -62.19 -40.71 96.97 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.902 1.281 . . . . 0.0 112.805 -164.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.4 m -61.83 -7.0 3.1 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.269 1.428 . . . . 0.0 114.597 176.466 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -127.16 4.54 6.41 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.816 2.046 . . . . 0.0 113.164 -177.2 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -150.38 -45.11 0.13 Allowed 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -176.214 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 84.2 m -115.08 -27.88 7.17 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.064 0.946 . . . . 0.0 113.473 -164.832 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -122.13 -1.08 9.31 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.93 2.492 . . . . 0.0 112.368 177.686 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.8 p . . . . . 0 C--O 1.252 1.234 0 C-N-CA 127.119 2.168 . . . . 0.0 114.092 175.507 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 97.9 m -120.48 142.22 49.48 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.872 1.669 . . . . 0.0 110.006 -178.574 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.9 t -63.68 150.15 44.98 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -172.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -71.82 -16.24 62.16 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 165.509 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -138.16 -47.91 0.53 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.333 1.053 . . . . 0.0 113.433 -166.14 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.1 m -73.96 -16.65 61.08 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.56 1.144 . . . . 0.0 113.669 -171.352 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.23 45.91 95.22 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.054 0.835 . . . . 0.0 112.77 -174.598 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.52 144.12 35.42 Favored Pre-proline 0 N--CA 1.476 0.855 0 C-N-CA 125.645 1.578 . . . . 0.0 111.732 -171.86 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -70.67 -170.11 0.43 Allowed 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 123.902 3.068 . . . . 0.0 111.135 164.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.7 28.19 72.97 Favored Glycine 0 CA--C 1.535 1.307 0 O-C-N 121.064 -1.023 . . . . 0.0 113.486 179.542 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -113.69 146.05 40.42 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.064 1.345 . . . . 0.0 112.119 -173.804 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.9 mt -156.06 173.22 17.13 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 128.578 2.751 . . . . 0.0 108.712 -172.698 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.2 m -54.83 -20.41 8.59 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.277 1.431 . . . . 0.0 114.523 168.355 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.6 p -92.4 -6.18 50.56 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.345 1.858 . . . . 0.0 114.204 175.614 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -105.99 -42.5 5.1 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.241 1.416 . . . . 0.0 111.321 179.763 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.4 m -143.39 170.15 16.32 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.222 2.209 . . . . 0.0 110.748 176.44 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -56.68 -31.52 64.52 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.791 1.236 . . . . 0.0 113.876 179.195 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.14 160.55 28.75 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 124.795 1.238 . . . . 0.0 112.19 168.294 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -72.37 171.72 16.43 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 122.662 2.242 . . . . 0.0 111.275 158.7 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -51.91 -19.67 1.9 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 127.084 2.154 . . . . 0.0 116.032 -176.093 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.9 t -53.06 -33.1 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 126.275 1.83 . . . . 0.0 112.874 170.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 t -149.12 -157.53 0.83 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.08 1.752 . . . . 0.0 110.844 -171.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -136.88 -16.88 1.45 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.325 2.25 . . . . 0.0 113.074 169.458 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -156.45 -62.03 0.1 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.652 1.181 . . . . 0.0 113.402 -174.174 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.24 -32.51 61.15 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.257 1.423 . . . . 0.0 114.548 -168.322 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.3 pttm 42.97 25.61 0.06 Allowed 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 118.371 2.73 . . . . 0.0 118.371 166.584 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -68.48 152.9 96.34 Favored Pre-proline 0 CA--C 1.552 1.034 0 O-C-N 121.209 -0.932 . . . . 0.0 112.151 177.09 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -52.15 -21.49 12.98 Favored 'Trans proline' 0 CA--C 1.543 0.941 1 C-N-CA 125.331 4.02 . . . . 0.0 119.455 -168.124 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.21 3.03 0.45 Allowed Glycine 0 N--CA 1.476 1.33 0 N-CA-C 116.264 1.266 . . . . 0.0 116.264 -179.399 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -63.04 -29.38 70.77 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.691 1.245 . . . . 0.0 113.936 -177.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -61.77 -40.3 94.68 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 124.183 0.993 . . . . 0.0 112.16 -169.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.7 m -59.38 -7.71 1.45 Allowed 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 115.243 1.572 . . . . 0.0 115.243 176.657 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -134.78 13.84 3.67 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.022 1.729 . . . . 0.0 114.054 177.293 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -149.86 -53.26 0.16 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 176.08 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.4 m -106.17 -3.81 20.98 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.909 1.284 . . . . 0.0 113.59 -168.653 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 tpp85 -152.65 19.9 0.61 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.146 2.179 . . . . 0.0 113.062 -176.567 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 C--O 1.253 1.242 0 C-N-CA 127.082 2.153 . . . . 0.0 114.112 -179.53 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.6 m -51.24 136.25 24.85 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.106 1.363 . . . . 0.0 113.923 -172.746 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.2 t -58.13 151.66 18.49 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.94 1.696 . . . . 0.0 114.396 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -67.6 -14.97 63.4 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 165.744 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -135.43 -47.17 0.69 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.84 1.256 . . . . 0.0 113.094 -169.652 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 55.7 m -83.7 -10.06 58.42 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -167.469 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.48 30.68 68.76 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.71 1.148 . . . . 0.0 114.823 -179.582 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -124.45 116.69 26.73 Favored Pre-proline 0 N--CA 1.476 0.832 0 C-N-CA 125.693 1.597 . . . . 0.0 110.758 -168.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -51.71 -31.9 43.16 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 125.093 3.862 . . . . 0.0 116.966 -177.135 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.1 34.69 1.28 Allowed Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.792 1.663 . . . . 0.0 115.464 -176.124 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -104.17 157.18 17.3 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.784 1.234 . . . . 0.0 113.345 -179.642 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.6 mt -154.14 170.57 20.88 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 128.91 2.884 . . . . 0.0 108.52 -173.732 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.5 m -56.68 -11.81 1.54 Allowed 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 171.737 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.6 m -113.43 0.4 14.73 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.881 1.673 . . . . 0.0 113.306 176.792 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -96.91 -41.06 8.6 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.875 1.27 . . . . 0.0 110.69 174.23 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.8 m -143.56 173.88 11.26 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.758 2.423 . . . . 0.0 110.406 169.241 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -55.57 -32.58 63.15 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.26 1.424 . . . . 0.0 114.13 177.903 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.2 159.7 26.6 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 124.425 1.09 . . . . 0.0 112.966 171.667 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -71.38 170.72 17.71 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 122.847 2.365 . . . . 0.0 111.282 158.127 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -52.68 -20.41 3.08 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 127.013 2.125 . . . . 0.0 115.655 -176.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.5 t -52.0 -32.63 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 126.151 1.78 . . . . 0.0 112.879 171.014 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 t -148.89 -156.23 0.7 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.134 1.774 . . . . 0.0 110.844 -172.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -137.87 -17.94 1.22 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.338 2.255 . . . . 0.0 113.175 169.618 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -155.53 -59.98 0.11 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -176.101 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 p -77.28 -30.41 54.26 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -169.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.5 pttm 43.26 26.14 0.08 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 118.458 2.762 . . . . 0.0 118.458 165.019 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -67.69 151.8 96.85 Favored Pre-proline 0 CA--C 1.552 1.041 0 O-C-N 121.09 -1.006 . . . . 0.0 112.349 177.819 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -51.96 -23.3 16.31 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 125.202 3.935 . . . . 0.0 119.335 -167.803 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.06 9.29 0.71 Allowed Glycine 0 N--CA 1.478 1.487 0 CA-C-N 119.631 1.105 . . . . 0.0 115.844 -178.251 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -67.99 -29.98 69.13 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.499 1.149 . . . . 0.0 113.703 -179.51 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -62.42 -42.51 99.49 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.055 0.942 . . . . 0.0 112.601 -163.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.6 m -59.08 -6.39 0.85 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 175.135 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -128.82 4.48 5.43 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 127.067 2.147 . . . . 0.0 113.134 -176.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -151.92 -52.3 0.12 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 75.1 m -106.6 -3.13 21.05 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.266 1.427 . . . . 0.0 113.515 -168.173 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -152.29 19.2 0.65 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.094 2.158 . . . . 0.0 113.108 -177.095 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.4 m . . . . . 0 C--O 1.255 1.367 0 C-N-CA 127.039 2.136 . . . . 0.0 114.24 -179.75 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.3 m -125.01 142.13 51.69 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.907 1.683 . . . . 0.0 109.855 -173.89 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.2 t -64.7 148.16 51.62 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -172.48 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -68.83 -17.8 64.06 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 165.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -141.11 -42.99 0.38 Allowed 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -167.193 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.1 m -71.22 -17.29 62.52 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -174.618 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.33 36.3 93.22 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 123.819 0.723 . . . . 0.0 113.074 -173.02 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -130.03 142.58 45.9 Favored Pre-proline 0 N--CA 1.475 0.787 0 C-N-CA 125.99 1.716 . . . . 0.0 112.036 -168.432 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.62 -170.28 0.58 Allowed 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.938 3.092 . . . . 0.0 110.739 163.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.33 29.67 75.24 Favored Glycine 0 CA--C 1.533 1.216 0 O-C-N 121.16 -0.962 . . . . 0.0 113.258 179.349 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -116.67 146.45 42.74 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.193 1.397 . . . . 0.0 112.393 -170.784 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.7 mt -155.95 174.38 15.42 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 128.655 2.782 . . . . 0.0 108.787 -173.037 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 56.4 p -56.53 -18.15 10.72 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 165.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.3 p -92.71 -1.46 56.82 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.235 1.814 . . . . 0.0 114.06 174.111 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -114.29 -38.74 4.03 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.282 1.433 . . . . 0.0 111.623 -179.278 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 m -143.1 172.36 12.82 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.002 2.121 . . . . 0.0 110.896 172.305 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.6 -32.72 52.27 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.134 1.374 . . . . 0.0 113.773 177.449 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.19 159.72 28.85 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 125.16 1.384 . . . . 0.0 111.746 167.167 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -71.27 168.94 21.96 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 122.55 2.167 . . . . 0.0 110.85 157.301 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -53.56 -18.5 2.91 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 127.031 2.132 . . . . 0.0 115.915 -174.659 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.4 t -51.64 -32.65 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 126.114 1.766 . . . . 0.0 112.656 169.346 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.8 t -148.53 -159.28 1.01 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.327 1.851 . . . . 0.0 110.611 -175.403 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -138.91 -14.15 1.2 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.406 2.282 . . . . 0.0 112.847 170.491 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -155.85 -63.25 0.11 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.902 1.281 . . . . 0.0 112.915 -171.589 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.17 -36.11 66.54 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.951 1.7 . . . . 0.0 114.038 -168.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.1 pttm 43.58 23.49 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 128.636 2.774 . . . . 0.0 118.313 169.194 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -68.91 151.76 97.11 Favored Pre-proline 0 CA--C 1.55 0.969 0 O-C-N 121.171 -0.956 . . . . 0.0 112.072 176.553 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_exo -52.17 -21.99 14.19 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 125.216 3.944 . . . . 0.0 119.32 -168.404 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.0 2.18 0.51 Allowed Glycine 0 CA--C 1.536 1.392 0 N-CA-C 116.29 1.276 . . . . 0.0 116.29 -178.579 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -62.34 -30.57 71.26 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.693 1.246 . . . . 0.0 114.005 -177.166 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -60.25 -40.49 90.48 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.69 1.196 . . . . 0.0 112.565 -169.202 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.9 m -58.89 -10.53 2.51 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 176.059 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -127.25 6.07 6.4 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.695 1.998 . . . . 0.0 113.16 -178.198 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -150.66 -59.2 0.18 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 179.047 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 61.7 m -96.64 -4.84 40.3 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.917 1.287 . . . . 0.0 113.96 -168.435 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -152.51 19.14 0.63 Allowed 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.721 2.009 . . . . 0.0 113.278 -175.433 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m . . . . . 0 C--O 1.252 1.201 0 C-N-CA 126.928 2.091 . . . . 0.0 114.244 -179.788 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 . . . . . 0 N--CA 1.485 1.295 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 m -49.46 138.64 13.16 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.459 1.504 . . . . 0.0 114.062 -173.391 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.38 153.16 16.18 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.817 1.647 . . . . 0.0 113.957 178.741 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -66.98 -15.68 63.87 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 164.865 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -135.94 -48.1 0.67 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.911 1.284 . . . . 0.0 113.304 -168.771 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.8 m -81.98 -9.49 59.55 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -166.735 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.22 32.54 72.05 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 124.534 1.064 . . . . 0.0 114.56 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -125.86 113.39 24.6 Favored Pre-proline 0 N--CA 1.475 0.822 0 C-N-CA 125.62 1.568 . . . . 0.0 110.827 -168.136 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -51.53 -32.03 41.99 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 125.064 3.843 . . . . 0.0 116.999 -176.031 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.07 26.55 1.19 Allowed Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.616 1.579 . . . . 0.0 115.628 -176.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -92.86 162.57 14.04 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 122.584 1.183 . . . . 0.0 113.434 177.745 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.6 mt -152.01 171.92 17.08 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 128.19 2.596 . . . . 0.0 109.091 -172.259 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.7 t -55.13 -13.97 1.44 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.938 1.695 . . . . 0.0 114.932 170.896 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.3 p -120.58 -11.08 9.12 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.518 1.927 . . . . 0.0 114.587 -179.668 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -74.85 -38.35 61.99 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.26 0.936 . . . . 0.0 111.15 175.234 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.5 m -139.17 179.27 6.61 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.126 2.571 . . . . 0.0 109.364 165.913 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.17 -38.95 63.23 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.31 1.044 . . . . 0.0 112.893 178.208 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.61 159.23 30.77 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 125.108 1.363 . . . . 0.0 112.314 174.285 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -72.68 175.67 9.92 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 123.146 2.564 . . . . 0.0 111.496 161.248 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -53.48 -13.94 0.71 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 127.618 2.367 . . . . 0.0 115.777 -178.204 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -56.5 -36.75 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 126.253 1.821 . . . . 0.0 112.87 168.632 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.6 t -148.76 -153.73 0.51 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.257 1.423 . . . . 0.0 111.141 -169.667 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -141.08 -20.55 0.79 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.901 2.081 . . . . 0.0 112.921 169.837 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -158.42 -54.53 0.07 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.657 1.183 . . . . 0.0 113.596 -177.249 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -36.5 76.52 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.377 1.471 . . . . 0.0 114.502 -170.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.9 pttt 42.23 27.25 0.07 Allowed 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 128.674 2.79 . . . . 0.0 117.871 170.189 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -69.61 151.28 96.63 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 124.101 0.96 . . . . 0.0 112.187 176.378 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -51.9 -22.48 14.15 Favored 'Trans proline' 0 CA--C 1.542 0.888 1 C-N-CA 125.396 4.064 . . . . 0.0 119.536 -167.343 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.1 16.91 0.45 Allowed Glycine 0 N--CA 1.476 1.303 0 CA-C-N 119.574 1.079 . . . . 0.0 115.74 -177.779 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -76.05 -29.76 58.15 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 118.513 1.157 . . . . 0.0 113.879 -178.761 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -61.25 -41.52 97.04 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.361 1.465 . . . . 0.0 113.698 -163.037 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.8 m -63.82 -4.45 3.21 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 178.232 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -127.84 5.26 6.03 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.83 2.052 . . . . 0.0 112.855 -177.502 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -149.81 -64.56 0.21 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.856 0.862 . . . . 0.0 112.686 177.282 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.3 m -90.01 -19.31 24.57 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -166.085 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.26 15.18 2.04 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.994 1.718 . . . . 0.0 113.235 -169.879 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 C--O 1.254 1.325 0 C-N-CA 127.589 2.356 . . . . 0.0 114.346 -179.928 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 . . . . . 0 N--CA 1.486 1.326 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.7 m -50.2 136.44 19.58 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.002 1.321 . . . . 0.0 113.575 -173.317 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.1 t -55.07 150.23 10.85 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.442 1.497 . . . . 0.0 113.873 -179.777 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -19.06 63.35 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 166.513 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -133.99 -48.2 0.8 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.251 1.42 . . . . 0.0 113.455 -170.319 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.2 m -79.62 -10.33 59.78 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -166.111 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.92 30.47 73.26 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 124.394 0.997 . . . . 0.0 114.78 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -122.78 115.49 29.42 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 125.869 1.668 . . . . 0.0 110.61 -170.003 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -52.13 -32.65 50.48 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 124.975 3.783 . . . . 0.0 116.98 -175.682 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.47 29.38 1.22 Allowed Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.723 1.63 . . . . 0.0 115.554 -176.171 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -98.96 165.35 11.79 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.826 1.25 . . . . 0.0 113.08 178.253 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.7 mt -152.23 170.9 18.88 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 128.515 2.726 . . . . 0.0 108.549 -176.363 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 64.8 m -57.53 -3.7 0.2 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.296 1.838 . . . . 0.0 115.735 170.309 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.1 p -126.48 -11.25 6.26 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.854 2.062 . . . . 0.0 114.132 177.666 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -74.84 -39.03 61.84 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.166 0.894 . . . . 0.0 110.874 173.796 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.2 m -137.07 -177.14 4.63 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 128.103 2.561 . . . . 0.0 109.437 167.298 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -37.39 61.9 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.632 1.173 . . . . 0.0 112.637 179.451 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.37 162.13 24.18 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 125.842 1.657 . . . . 0.0 111.779 171.299 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -71.65 168.78 22.72 Favored 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 122.791 2.327 . . . . 0.0 110.853 156.305 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -56.4 -15.79 4.68 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.249 1.82 . . . . 0.0 115.748 -174.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.3 t -50.64 -33.47 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 126.136 1.775 . . . . 0.0 112.483 167.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.5 t -148.88 -159.59 1.06 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.193 1.797 . . . . 0.0 110.876 -174.478 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -138.97 -16.12 1.11 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.399 2.28 . . . . 0.0 113.052 170.066 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -156.79 -60.4 0.09 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.344 1.057 . . . . 0.0 113.808 -175.365 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.13 -32.68 69.27 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.295 1.438 . . . . 0.0 114.528 -171.345 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.9 pttt 42.35 24.8 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 129.255 3.022 . . . . 0.0 118.84 165.148 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -69.39 152.89 96.29 Favored Pre-proline 0 CA--C 1.551 1.018 0 O-C-N 121.206 -0.934 . . . . 0.0 112.087 175.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -52.31 -22.35 15.56 Favored 'Trans proline' 0 CA--C 1.542 0.9 0 C-N-CA 125.199 3.933 . . . . 0.0 119.305 -169.608 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -149.59 1.97 0.54 Allowed Glycine 0 CA--C 1.538 1.473 0 N-CA-C 116.245 1.258 . . . . 0.0 116.245 -177.749 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -62.34 -29.62 70.58 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.743 1.271 . . . . 0.0 114.154 -177.276 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -60.05 -40.77 90.58 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.618 1.167 . . . . 0.0 112.553 -169.639 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.8 m -59.51 -9.69 2.74 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 175.415 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -125.99 4.2 7.26 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.755 2.022 . . . . 0.0 113.043 -178.003 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -150.83 -64.16 0.19 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.801 0.84 . . . . 0.0 113.059 178.553 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.4 m -89.04 -6.19 57.34 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -168.649 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -152.32 18.64 0.65 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.329 1.852 . . . . 0.0 113.417 -174.187 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.7 m . . . . . 0 C--O 1.253 1.244 0 C-N-CA 126.802 2.041 . . . . 0.0 114.2 -179.815 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.4 m -48.89 133.2 18.07 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.219 1.407 . . . . 0.0 114.15 -173.157 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.9 t -54.36 150.18 9.13 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.08 1.752 . . . . 0.0 114.355 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -61.68 -21.27 64.31 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 166.18 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -132.84 -47.51 0.87 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.101 1.36 . . . . 0.0 113.278 -168.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.5 m -80.92 -9.96 59.77 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -166.588 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.81 32.83 75.72 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.489 1.042 . . . . 0.0 114.805 179.366 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -127.45 118.9 21.62 Favored Pre-proline 0 N--CA 1.475 0.807 0 C-N-CA 125.371 1.468 . . . . 0.0 110.882 -170.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -51.8 -31.85 43.81 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 125.025 3.817 . . . . 0.0 117.057 -177.063 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.38 36.87 1.35 Allowed Glycine 0 CA--C 1.534 1.268 0 C-N-CA 125.809 1.671 . . . . 0.0 115.358 -175.169 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -108.46 155.53 20.49 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.929 1.292 . . . . 0.0 113.331 -179.054 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.2 mt -155.0 172.16 18.55 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 129.117 2.967 . . . . 0.0 108.356 -173.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.6 m -55.45 -19.84 10.63 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.216 1.406 . . . . 0.0 114.49 169.109 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.1 p -94.17 -5.0 48.08 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.476 1.91 . . . . 0.0 114.055 175.881 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -106.23 -43.77 4.72 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.158 1.383 . . . . 0.0 111.292 -177.78 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.1 m -143.17 176.18 9.32 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.371 2.268 . . . . 0.0 110.682 170.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -37.32 65.52 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.858 1.263 . . . . 0.0 113.03 179.765 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.84 161.2 24.8 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.015 1.326 . . . . 0.0 112.47 174.439 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -71.97 168.89 22.7 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 122.97 2.447 . . . . 0.0 111.196 157.569 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -56.91 -15.58 5.13 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.992 1.849 . . . . 0.0 115.992 -173.739 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.8 t -51.92 -32.28 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.775 1.63 . . . . 0.0 112.421 168.17 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.0 t -146.64 -158.82 0.94 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.5 1.92 . . . . 0.0 110.419 -176.311 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -136.84 -11.54 1.76 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.42 2.288 . . . . 0.0 112.775 168.662 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -159.02 -63.1 0.08 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.026 1.33 . . . . 0.0 112.794 -172.433 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -38.11 70.3 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.096 1.758 . . . . 0.0 113.973 -167.294 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.5 pttm 43.49 23.58 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 128.531 2.732 . . . . 0.0 118.062 171.158 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -69.92 151.29 96.26 Favored Pre-proline 0 CA--C 1.551 1.018 0 O-C-N 121.157 -0.964 . . . . 0.0 112.244 176.741 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -52.33 -21.16 12.84 Favored 'Trans proline' 0 CA--C 1.543 0.934 1 C-N-CA 125.509 4.139 . . . . 0.0 119.569 -168.493 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.15 11.11 0.67 Allowed Glycine 0 N--CA 1.478 1.436 0 CA-C-N 119.689 1.132 . . . . 0.0 115.766 -178.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -71.61 -28.98 64.17 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.409 1.104 . . . . 0.0 113.189 179.537 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -64.0 -44.25 93.19 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.838 0.855 . . . . 0.0 112.097 -168.889 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.1 m -59.76 -6.31 1.18 Allowed 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 176.243 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -135.7 13.83 3.42 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.387 1.875 . . . . 0.0 113.825 179.422 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -151.49 -53.29 0.13 Allowed 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 175.126 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.1 m -106.05 -3.71 21.27 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.028 1.331 . . . . 0.0 113.615 -168.156 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.4 tpp85 -152.47 19.4 0.63 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 127.16 2.184 . . . . 0.0 112.989 -176.696 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.9 m . . . . . 0 C--O 1.253 1.263 0 C-N-CA 127.045 2.138 . . . . 0.0 114.161 -179.729 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.0 m -126.57 138.13 53.42 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.846 1.658 . . . . 0.0 109.786 -173.25 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.7 t -60.9 147.35 43.39 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -173.185 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -67.05 -21.73 65.89 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 166.825 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -136.03 -41.04 0.67 Allowed 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -167.765 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 63.1 m -71.1 -17.62 62.57 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -177.709 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.19 28.51 69.23 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.222 0.915 . . . . 0.0 113.745 -172.615 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.44 147.5 38.16 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 125.961 1.705 . . . . 0.0 111.785 -174.527 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -71.71 -169.43 0.43 Allowed 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 123.872 3.048 . . . . 0.0 110.625 161.446 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.59 29.41 73.57 Favored Glycine 0 CA--C 1.533 1.179 0 O-C-N 121.02 -1.05 . . . . 0.0 113.404 179.103 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -117.89 146.66 43.77 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.141 1.376 . . . . 0.0 112.272 -170.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.2 mt -156.18 172.42 18.47 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.922 2.489 . . . . 0.0 109.325 -171.071 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.6 m -52.29 -18.71 1.68 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.622 1.969 . . . . 0.0 115.085 168.663 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.2 p -101.9 -11.08 19.27 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.591 1.957 . . . . 0.0 113.93 178.512 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -92.59 -42.48 9.64 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.528 1.131 . . . . 0.0 111.23 177.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.5 m -143.13 173.19 11.79 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.112 2.165 . . . . 0.0 111.184 176.766 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -50.96 -35.22 32.4 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.902 1.681 . . . . 0.0 114.046 177.103 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -161.4 160.43 23.63 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 124.978 1.311 . . . . 0.0 112.195 166.25 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -72.29 167.4 27.0 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 C-N-CA 122.614 2.209 . . . . 0.0 111.053 156.316 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -53.07 -19.62 2.94 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.838 2.055 . . . . 0.0 115.421 -176.195 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -50.0 -32.27 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 126.073 1.749 . . . . 0.0 112.772 169.212 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.3 t -148.37 -157.42 0.81 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.382 1.873 . . . . 0.0 110.805 -175.72 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -137.89 -19.55 1.16 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.34 2.256 . . . . 0.0 113.073 170.127 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -155.72 -56.81 0.09 Allowed 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -176.315 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -73.71 -34.27 64.74 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -172.038 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.2 pttm 43.29 25.49 0.07 Allowed 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 118.476 2.769 . . . . 0.0 118.476 166.189 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -69.59 152.11 96.37 Favored Pre-proline 0 CA--C 1.552 1.036 0 O-C-N 121.183 -0.948 . . . . 0.0 112.714 177.855 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -52.24 -21.26 12.76 Favored 'Trans proline' 0 CA--C 1.542 0.899 1 C-N-CA 125.521 4.147 . . . . 0.0 119.599 -169.107 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.0 11.34 0.69 Allowed Glycine 0 N--CA 1.476 1.334 0 CA-C-N 119.68 1.127 . . . . 0.0 115.664 -178.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -71.73 -28.05 63.41 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.314 1.057 . . . . 0.0 113.416 179.663 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -63.56 -44.78 93.14 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.789 0.836 . . . . 0.0 112.084 -168.259 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.9 m -59.81 -5.59 0.99 Allowed 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.232 1.568 . . . . 0.0 115.232 175.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -136.58 14.29 3.18 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.489 1.916 . . . . 0.0 113.766 179.339 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -151.21 -56.75 0.15 Allowed 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 174.123 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.0 m -102.09 -4.15 26.39 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.003 1.321 . . . . 0.0 113.83 -168.861 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 tpp85 -152.88 19.73 0.59 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.031 2.132 . . . . 0.0 112.987 -175.536 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 C--O 1.254 1.292 0 C-N-CA 127.044 2.137 . . . . 0.0 114.193 -179.544 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.4 m -122.81 146.42 47.55 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.219 1.808 . . . . 0.0 109.637 -176.302 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.6 t -66.33 149.14 50.82 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -175.096 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -68.98 -18.13 64.02 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 165.74 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -138.45 -47.16 0.51 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -167.29 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.7 m -69.9 -24.37 63.38 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.378 1.071 . . . . 0.0 112.894 -177.612 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.43 0.62 24.33 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 125.44 1.495 . . . . 0.0 114.984 -171.166 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.07 150.38 71.51 Favored Pre-proline 0 N--CA 1.474 0.741 0 C-N-CA 125.199 1.4 . . . . 0.0 112.021 179.729 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -72.07 -168.38 0.37 Allowed 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 124.155 3.237 . . . . 0.0 110.801 162.053 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 61.7 28.68 70.33 Favored Glycine 0 CA--C 1.535 1.298 0 O-C-N 120.965 -1.084 . . . . 0.0 113.414 179.113 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -114.98 148.83 38.27 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.292 1.437 . . . . 0.0 111.976 -171.891 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.1 mt -154.74 173.09 16.91 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.711 2.404 . . . . 0.0 109.27 -172.275 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 m -55.14 -6.81 0.16 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 127.653 2.381 . . . . 0.0 115.939 171.643 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.2 p -120.91 -14.23 8.51 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.967 2.107 . . . . 0.0 113.761 178.528 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -79.61 -36.89 37.29 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.044 0.937 . . . . 0.0 111.032 172.035 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.3 m -142.0 176.31 9.05 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.42 2.288 . . . . 0.0 110.692 173.622 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -32.62 55.92 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.39 1.076 . . . . 0.0 113.212 177.614 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.37 159.85 28.41 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 125.638 1.575 . . . . 0.0 111.291 167.608 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.91 170.18 19.46 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 122.34 2.027 . . . . 0.0 110.902 157.893 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -51.6 -20.28 1.91 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.387 2.275 . . . . 0.0 115.792 -175.624 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.4 t -52.22 -32.8 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 126.123 1.769 . . . . 0.0 112.906 170.676 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.7 t -148.91 -157.8 0.85 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.033 1.733 . . . . 0.0 110.805 -174.574 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -141.0 -18.01 0.83 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.308 2.243 . . . . 0.0 113.289 171.922 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -154.49 -58.85 0.11 Allowed 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -174.145 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 p -80.21 -30.54 38.68 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -170.621 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.9 pttm 43.79 26.94 0.15 Allowed 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 118.4 2.741 . . . . 0.0 118.4 163.578 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -68.76 153.34 96.03 Favored Pre-proline 0 CA--C 1.553 1.063 0 O-C-N 121.193 -0.942 . . . . 0.0 112.323 177.207 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -52.02 -24.38 19.38 Favored 'Trans proline' 0 CA--C 1.543 0.975 0 C-N-CA 125.054 3.836 . . . . 0.0 119.177 -168.386 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.97 3.9 0.7 Allowed Glycine 0 N--CA 1.477 1.401 0 N-CA-C 116.166 1.227 . . . . 0.0 116.166 -177.681 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -63.77 -27.19 69.02 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -177.572 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -60.94 -41.68 96.72 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.782 0.833 . . . . 0.0 112.34 -168.322 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.3 m -59.42 -8.72 1.91 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 176.76 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -130.37 10.54 5.29 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.085 1.754 . . . . 0.0 114.056 178.138 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -152.02 -49.24 0.11 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 179.726 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 78.5 m -111.75 -4.76 14.56 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.768 1.227 . . . . 0.0 113.493 -167.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.8 tpp85 -151.22 10.41 0.59 Allowed 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 127.201 2.201 . . . . 0.0 113.324 -179.798 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.342 1.857 . . . . 0.0 114.133 174.633 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A 1059 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A 1060 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_