data_2k2z_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 2k2z _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 ' 46' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 121.098 0.475 . . . . 20.0 110.999 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.4 m -80.87 130.81 35.24 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.434 1.494 . . . . 20.0 110.879 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -133.96 160.97 66.5 Favored Pre-proline 0 CA--C 1.54 0.58 0 C-N-CA 126.924 2.089 . . . . 20.0 110.495 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.14 157.56 59.1 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.782 2.322 . . . . 20.0 111.031 172.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.4 mt -66.4 -38.65 87.98 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.193 1.397 . . . . 20.0 110.961 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -84.6 63.35 7.86 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.104 1.362 . . . . 20.0 110.646 173.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -132.32 152.3 51.47 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 125.49 1.516 . . . . 20.0 110.68 176.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -87.44 73.69 9.5 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.067 0.947 . . . . 20.0 110.166 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.8 p -158.12 172.95 17.47 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.034 1.334 . . . . 20.0 110.878 168.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.87 169.21 0.78 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.636 1.974 . . . . 20.0 112.321 -174.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -152.59 149.79 28.85 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.61 0.764 . . . . 20.0 111.055 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.9 mt -134.03 175.02 9.86 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 126.496 1.918 . . . . 20.0 109.853 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -119.05 -33.49 4.15 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.958 1.303 . . . . 20.0 111.826 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.13 -30.84 39.1 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.384 1.074 . . . . 20.0 112.569 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -105.81 -12.35 15.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.148 0.979 . . . . 20.0 113.015 -176.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.2 p -65.49 -22.87 66.78 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.284 0.947 . . . . 20.0 112.121 170.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.87 -20.75 64.28 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.858 1.663 . . . . 20.0 113.35 173.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.8 t -67.33 -39.92 85.89 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.354 1.061 . . . . 20.0 110.597 173.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 61.2 m -74.27 -20.64 60.08 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.147 1.379 . . . . 20.0 112.856 171.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.43 -136.05 12.6 Favored Glycine 0 C--N 1.341 0.816 0 C-N-CA 125.854 1.692 . . . . 20.0 111.18 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -112.03 111.12 21.82 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.146 1.778 . . . . 20.0 108.68 -178.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.33 -1.98 11.42 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.917 1.246 . . . . 20.0 114.509 176.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -140.07 169.49 17.61 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.296 1.438 . . . . 20.0 111.14 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.73 167.1 22.89 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.185 1.394 . . . . 20.0 111.651 178.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 34.8 t -85.75 144.09 27.96 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.197 0.999 . . . . 20.0 110.033 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.6 m . . . . . 0 CA--C 1.534 0.35 0 C-N-CA 124.855 1.262 . . . . 20.0 112.185 178.507 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 CA--C 1.536 0.435 0 CA-C-O 120.601 0.238 . . . . 20.0 110.905 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 87.1 m -131.67 112.12 12.29 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.543 1.137 . . . . 20.0 108.832 170.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -133.85 157.83 76.87 Favored Pre-proline 0 CA--C 1.537 0.463 0 C-N-CA 126.527 1.931 . . . . 20.0 109.736 -173.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.47 157.81 60.29 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.462 2.108 . . . . 20.0 111.201 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.59 -27.09 69.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.796 1.638 . . . . 20.0 111.451 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -59.07 -25.11 63.47 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.937 2.095 . . . . 20.0 114.215 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -72.21 149.58 44.47 Favored 'General case' 0 C--N 1.344 0.338 0 C-N-CA 123.791 0.837 . . . . 20.0 110.338 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -80.19 99.78 7.97 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 108.951 -0.759 . . . . 20.0 108.951 167.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.6 m -151.36 165.93 32.57 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 126.209 1.804 . . . . 20.0 110.094 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -65.21 144.5 57.14 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.664 1.186 . . . . 20.0 109.052 169.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -127.33 99.42 5.64 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 124.161 0.985 . . . . 20.0 109.49 -176.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.52 168.03 17.14 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.598 1.559 . . . . 20.0 111.433 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -110.82 -29.2 8.07 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.892 1.071 . . . . 20.0 113.892 -173.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.91 7.19 10.38 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.948 1.699 . . . . 20.0 111.795 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -126.66 -17.57 4.99 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.55 1.54 . . . . 20.0 112.153 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.6 t -64.89 -39.7 93.95 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.925 0.89 . . . . 20.0 110.786 168.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.66 -18.22 65.25 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.154 1.382 . . . . 20.0 113.774 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.0 m -65.28 -28.74 69.54 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.124 0.969 . . . . 20.0 112.217 177.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 89.4 m -77.86 -51.63 10.15 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.722 1.209 . . . . 20.0 111.104 172.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 139.26 176.8 14.97 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 125.315 1.436 . . . . 20.0 111.652 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.88 133.83 51.75 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.559 0.744 . . . . 20.0 110.491 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.11 -0.3 87.41 Favored Glycine 0 CA--C 1.536 1.365 0 CA-C-O 118.557 -1.135 . . . . 20.0 114.586 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -126.02 165.29 19.07 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.9 1.35 . . . . 20.0 110.3 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -139.63 177.28 8.05 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.837 1.655 . . . . 20.0 110.946 174.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.3 t -120.37 108.76 14.52 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 124.291 1.036 . . . . 20.0 110.584 -176.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.4 t . . . . . 0 CA--C 1.537 0.466 0 C-N-CA 125.28 1.432 . . . . 20.0 111.182 -178.242 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 CA--C 1.534 0.333 0 CA-C-O 121.147 0.499 . . . . 20.0 109.929 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.1 m -121.3 66.13 0.88 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.126 1.37 . . . . 20.0 109.717 -171.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -72.73 156.22 90.17 Favored Pre-proline 0 CA--C 1.539 0.556 0 C-N-CA 124.866 1.266 . . . . 20.0 111.09 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.38 157.12 53.81 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 123.301 2.668 . . . . 20.0 110.507 173.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.3 mt -61.72 -34.51 75.93 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.738 1.215 . . . . 20.0 112.168 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -62.78 -13.73 36.67 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.15 1.38 . . . . 20.0 114.073 177.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.8 tpt85 -66.56 134.51 52.52 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 124.302 1.041 . . . . 20.0 110.201 173.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -72.88 86.53 1.28 Allowed 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.096 0.958 . . . . 20.0 109.598 169.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.7 t -158.29 173.82 16.09 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.828 1.651 . . . . 20.0 110.109 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -70.94 174.53 6.05 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.87 1.268 . . . . 20.0 111.16 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -139.91 152.83 46.71 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.066 1.746 . . . . 20.0 109.773 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt -127.38 -174.72 3.24 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.315 1.846 . . . . 20.0 109.754 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -129.4 -36.18 1.7 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.81 1.244 . . . . 20.0 112.478 177.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.15 -46.72 27.24 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.062 0.945 . . . . 20.0 110.805 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -83.32 -25.77 31.2 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.31 0.644 . . . . 20.0 111.803 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.3 t -76.03 -1.31 25.2 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.476 1.111 . . . . 20.0 112.509 172.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.27 14.14 32.77 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.984 1.714 . . . . 20.0 111.97 172.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 t -128.49 13.36 6.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.748 1.619 . . . . 20.0 113.763 -171.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.6 m -128.81 -16.28 4.21 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 115.117 1.525 . . . . 20.0 115.117 -170.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 124.74 -125.55 5.75 Favored Glycine 0 C--N 1.345 1.029 0 C-N-CA 124.978 1.275 . . . . 20.0 112.274 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -135.07 149.08 50.03 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.871 1.669 . . . . 20.0 109.971 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.47 19.42 76.2 Favored Glycine 0 CA--C 1.537 1.409 0 CA-C-O 118.919 -0.934 . . . . 20.0 114.131 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -122.79 174.21 7.27 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.195 1.798 . . . . 20.0 112.222 -170.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.37 169.06 25.46 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.034 1.734 . . . . 20.0 110.327 161.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 11.5 t -93.62 110.42 22.03 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 122.832 0.453 . . . . 20.0 110.022 173.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 36.1 t . . . . . 0 CA--C 1.534 0.337 0 C-N-CA 124.36 1.064 . . . . 20.0 110.347 177.767 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 . . . . . 0 C--O 1.234 0.241 0 CA-C-O 121.418 0.628 . . . . 20.0 111.743 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.8 m -85.49 91.58 8.27 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 126.068 1.747 . . . . 20.0 109.348 174.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -96.81 161.6 25.93 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 126.062 1.745 . . . . 20.0 109.653 177.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -64.91 164.21 25.47 Favored 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 122.42 2.08 . . . . 20.0 112.138 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -62.08 -31.13 71.53 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.749 1.22 . . . . 20.0 111.05 173.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -60.6 -17.85 49.21 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.474 2.31 . . . . 20.0 114.279 173.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.76 137.12 57.6 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 124.744 1.218 . . . . 20.0 110.396 177.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -82.19 80.18 8.48 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.022 -0.733 . . . . 20.0 109.022 167.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.6 p -149.85 173.99 13.15 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.953 1.301 . . . . 20.0 111.127 174.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -68.67 165.26 19.77 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.26 1.024 . . . . 20.0 111.316 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -137.67 155.88 48.64 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.749 1.22 . . . . 20.0 110.254 -174.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.4 mt -126.01 -175.69 3.43 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.434 1.894 . . . . 20.0 110.296 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -125.39 -39.51 2.18 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 124.827 1.251 . . . . 20.0 112.15 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.84 -46.92 27.79 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.336 1.055 . . . . 20.0 110.785 172.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -87.46 -29.23 21.56 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 123.481 0.712 . . . . 20.0 112.651 -173.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.4 t -65.91 -34.25 77.7 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.434 0.694 . . . . 20.0 110.842 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.86 -34.28 77.45 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.754 1.222 . . . . 20.0 112.361 171.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.3 m -71.26 -29.0 64.56 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.266 1.026 . . . . 20.0 113.021 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 40.3 m -71.43 -12.44 61.41 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.247 1.203 . . . . 20.0 114.247 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.48 157.72 33.95 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 125.098 1.332 . . . . 20.0 112.073 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.07 101.64 3.96 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.57 1.148 . . . . 20.0 110.047 -171.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 132.84 -8.84 5.2 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 126.414 1.959 . . . . 20.0 113.161 -173.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.8 mp0 -134.6 161.05 36.18 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.465 1.506 . . . . 20.0 110.902 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -139.49 165.52 27.01 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.843 2.457 . . . . 20.0 110.208 178.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 11.5 t -98.0 112.37 24.33 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.126 0.57 . . . . 20.0 110.425 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 70.4 m . . . . . 0 CA--C 1.535 0.383 0 C-N-CA 123.73 0.812 . . . . 20.0 110.558 170.342 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 . . . . . 0 CA--C 1.531 0.241 0 CA-C-O 121.136 0.493 . . . . 20.0 109.987 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.7 m -80.96 89.26 5.89 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.675 1.19 . . . . 20.0 109.471 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -84.77 155.69 61.6 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 124.851 1.26 . . . . 20.0 110.725 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.21 155.73 63.77 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.575 2.183 . . . . 20.0 110.528 176.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.09 -33.64 76.23 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.259 1.024 . . . . 20.0 111.914 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -64.23 -16.31 61.78 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.616 1.567 . . . . 20.0 114.031 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 -66.14 160.42 24.1 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.144 0.978 . . . . 20.0 110.233 171.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -105.75 108.28 19.71 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.869 1.267 . . . . 20.0 108.81 172.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.1 -175.14 4.7 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.699 1.199 . . . . 20.0 111.465 178.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -55.32 -52.41 63.56 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.793 1.637 . . . . 20.0 111.706 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 60.46 98.1 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 128.159 2.584 . . . . 20.0 112.783 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.1 mt -72.29 172.04 11.03 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.389 1.076 . . . . 20.0 111.111 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -117.2 -41.95 2.95 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 124.539 1.135 . . . . 20.0 112.382 -176.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.64 -17.81 32.91 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.814 0.845 . . . . 20.0 112.177 173.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -116.86 -6.48 11.49 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.466 1.106 . . . . 20.0 112.539 -168.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.5 p -63.57 -33.26 75.2 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.405 0.682 . . . . 20.0 111.682 162.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.67 -9.69 57.68 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.701 1.601 . . . . 20.0 114.027 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.3 t -65.13 -45.09 86.5 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.026 0.93 . . . . 20.0 110.938 172.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 36.5 m -70.8 -12.85 61.8 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.77 1.228 . . . . 20.0 113.166 171.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.43 179.3 38.14 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 125.559 1.552 . . . . 20.0 112.961 176.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -61.48 118.06 6.52 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.698 1.599 . . . . 20.0 110.595 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.49 -2.0 39.7 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.962 1.267 . . . . 20.0 114.969 174.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -128.64 170.32 13.39 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.238 1.415 . . . . 20.0 110.16 178.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -139.42 168.18 20.41 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.738 0.815 . . . . 20.0 113.062 176.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.3 t -92.23 134.1 35.2 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 125.278 1.431 . . . . 20.0 109.563 175.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 67.6 m . . . . . 0 CA--C 1.54 0.562 0 C-N-CA 126.018 1.727 . . . . 20.0 109.771 177.486 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 . . . . . 0 CA--C 1.535 0.38 0 CA-C-O 120.781 0.324 . . . . 20.0 110.837 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.2 m -114.94 118.68 34.14 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.751 1.621 . . . . 20.0 109.376 175.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -144.05 160.98 47.58 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 126.445 1.898 . . . . 20.0 109.711 -168.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -69.01 162.19 42.7 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.343 2.029 . . . . 20.0 111.605 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.3 mt -61.2 -33.94 74.27 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.444 1.498 . . . . 20.0 111.837 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -58.66 -23.1 58.61 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.493 1.917 . . . . 20.0 114.048 176.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -63.38 151.15 41.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.311 1.044 . . . . 20.0 111.191 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -91.2 83.94 5.6 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.503 1.121 . . . . 20.0 110.002 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.0 t -160.91 178.67 9.17 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.793 1.237 . . . . 20.0 111.554 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -61.83 159.02 14.61 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.987 1.715 . . . . 20.0 110.782 173.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -136.77 107.01 6.38 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.936 1.694 . . . . 20.0 109.393 -178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.1 mt -79.2 -176.86 5.37 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.06 1.344 . . . . 20.0 111.489 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -124.76 -41.21 2.14 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.459 1.104 . . . . 20.0 111.995 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.79 -38.14 33.71 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.714 0.806 . . . . 20.0 112.009 176.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -100.02 -13.04 19.23 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.787 0.835 . . . . 20.0 112.781 -176.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.7 t -65.78 -44.53 85.52 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.55 0.74 . . . . 20.0 110.758 172.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.59 -23.88 64.52 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.215 1.006 . . . . 20.0 112.861 173.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.4 t -70.11 -30.46 67.67 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.038 0.935 . . . . 20.0 112.112 177.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 93.8 m -68.15 -61.06 2.03 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 123.846 0.858 . . . . 20.0 109.987 167.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.89 -179.74 29.1 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 123.873 0.749 . . . . 20.0 112.476 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -63.83 141.82 58.63 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.087 0.955 . . . . 20.0 110.367 170.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.78 10.56 58.64 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.308 0.956 . . . . 20.0 113.939 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -128.37 166.51 18.55 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 125.307 1.443 . . . . 20.0 110.418 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -145.72 174.95 10.76 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.612 1.565 . . . . 20.0 110.374 173.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 14.8 t -109.46 127.39 54.38 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 123.891 0.876 . . . . 20.0 110.335 173.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 40.9 t . . . . . 0 CA--C 1.537 0.471 0 C-N-CA 125.839 1.656 . . . . 20.0 110.676 175.506 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 . . . . . 0 CA--C 1.538 0.518 0 CA-C-O 121.365 0.602 . . . . 20.0 111.542 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.8 m -77.9 92.95 4.32 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.087 1.355 . . . . 20.0 109.084 171.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -98.5 164.54 16.88 Favored Pre-proline 0 CA--C 1.538 0.507 0 C-N-CA 126.835 2.054 . . . . 20.0 109.883 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -66.18 160.51 44.54 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.386 2.057 . . . . 20.0 111.143 176.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.1 mt -63.0 -32.83 74.28 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.2 1.4 . . . . 20.0 111.752 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -68.48 -9.32 48.08 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.946 1.699 . . . . 20.0 114.539 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -66.92 148.19 52.27 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.138 0.881 . . . . 20.0 112.131 -173.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -78.69 75.79 5.2 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.185 1.394 . . . . 20.0 109.756 173.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -161.26 179.77 8.07 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.934 1.694 . . . . 20.0 109.949 175.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -65.98 167.78 9.22 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.477 1.111 . . . . 20.0 111.62 172.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -135.53 151.97 50.85 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 127.094 2.157 . . . . 20.0 109.084 176.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.9 mt -128.17 179.78 5.42 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.508 1.123 . . . . 20.0 109.176 177.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -119.84 -45.5 2.48 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.64 1.176 . . . . 20.0 111.371 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.56 -39.47 45.7 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.887 0.475 . . . . 20.0 111.35 175.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -86.56 -21.63 26.77 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 122.551 0.341 . . . . 20.0 111.626 -176.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.9 t -69.67 -38.29 77.0 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.344 0.658 . . . . 20.0 110.758 171.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.66 66.32 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.515 0.726 . . . . 20.0 112.543 170.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t -69.83 -34.38 73.57 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.742 0.701 . . . . 20.0 111.776 173.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 57.0 m -69.41 -8.74 49.32 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.24 1.016 . . . . 20.0 113.504 169.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 100.77 -113.39 4.68 Favored Glycine 0 C--N 1.341 0.824 0 C-N-CA 125.431 1.491 . . . . 20.0 110.865 174.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -133.5 145.38 50.12 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 126.315 1.846 . . . . 20.0 110.071 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.02 1.66 56.62 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 124.917 1.246 . . . . 20.0 114.919 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -131.82 159.87 37.29 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 125.093 1.357 . . . . 20.0 110.415 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -137.93 169.27 18.08 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.351 1.86 . . . . 20.0 111.501 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 47.3 t -114.62 119.97 38.56 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.039 1.335 . . . . 20.0 108.639 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 17.4 t . . . . . 0 CA--C 1.535 0.382 0 C-N-CA 122.63 0.372 . . . . 20.0 110.424 171.348 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 . . . . . 0 CA--C 1.535 0.372 0 CA-C-O 121.344 0.592 . . . . 20.0 111.058 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.4 m -68.95 116.32 9.28 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.86 1.264 . . . . 20.0 109.638 167.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -115.1 158.53 40.74 Favored Pre-proline 0 CA--C 1.539 0.541 0 C-N-CA 125.648 1.579 . . . . 20.0 110.279 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.72 149.14 66.78 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.88 2.387 . . . . 20.0 109.985 174.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.42 -30.07 70.96 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.337 1.455 . . . . 20.0 112.162 -175.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -60.72 -19.59 59.18 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.714 1.606 . . . . 20.0 114.161 172.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.05 126.53 30.18 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 119.206 0.912 . . . . 20.0 109.355 173.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -83.51 97.04 8.8 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 108.265 -1.013 . . . . 20.0 108.265 166.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.7 t -140.25 -83.73 0.23 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.357 1.463 . . . . 20.0 108.571 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -150.77 167.19 28.16 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.446 1.499 . . . . 20.0 109.156 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -154.63 145.44 22.48 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.604 1.161 . . . . 20.0 109.341 171.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.0 mt -132.09 -179.59 5.51 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.972 1.709 . . . . 20.0 109.953 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -116.4 -35.53 4.26 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.835 1.254 . . . . 20.0 111.994 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.07 -27.41 28.3 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.354 1.062 . . . . 20.0 112.454 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -109.5 -15.47 14.2 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.658 0.783 . . . . 20.0 112.951 -170.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 84.9 p -67.42 -29.13 68.54 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.481 0.582 . . . . 20.0 111.687 167.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.94 -21.34 65.11 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.51 1.524 . . . . 20.0 112.879 175.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.9 t -67.64 -38.52 83.97 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 123.931 0.892 . . . . 20.0 111.053 173.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 83.3 m -77.88 -16.66 58.08 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.909 1.284 . . . . 20.0 112.977 173.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.94 -125.35 8.44 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.635 1.588 . . . . 20.0 111.319 175.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -123.46 107.92 12.11 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.622 1.569 . . . . 20.0 109.536 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 125.86 -8.82 7.64 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 125.373 1.463 . . . . 20.0 114.134 176.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -139.87 166.34 24.88 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.552 1.541 . . . . 20.0 110.222 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.88 169.84 16.82 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.84 1.256 . . . . 20.0 112.278 -174.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 24.5 t -79.43 138.29 37.55 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.499 1.12 . . . . 20.0 109.72 175.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.7 t . . . . . 0 CA--C 1.533 0.313 0 C-N-CA 125.693 1.597 . . . . 20.0 109.365 -178.459 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 C--O 1.234 0.242 0 CA-C-O 121.298 0.571 . . . . 20.0 111.004 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.3 m -71.28 139.13 49.87 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.427 1.091 . . . . 20.0 109.878 167.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -143.34 163.55 36.45 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 127.586 2.354 . . . . 20.0 109.615 -177.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.44 162.45 41.86 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.329 2.019 . . . . 20.0 111.324 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -61.16 -34.73 75.48 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.893 1.277 . . . . 20.0 110.74 173.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -80.1 54.32 1.91 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.769 2.428 . . . . 20.0 111.508 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -135.21 157.6 46.51 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 124.553 1.141 . . . . 20.0 112.227 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -84.31 8.88 14.58 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.848 1.659 . . . . 20.0 114.591 175.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 25.5 m -69.59 160.36 31.68 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.117 0.967 . . . . 20.0 111.904 171.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -83.39 100.89 10.98 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.868 1.667 . . . . 20.0 108.84 174.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -66.12 119.22 11.05 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.778 1.631 . . . . 20.0 111.036 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 86.6 mt -76.15 179.69 5.53 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.531 1.532 . . . . 20.0 111.625 173.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -116.91 -40.6 3.12 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.263 1.025 . . . . 20.0 112.236 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.51 -40.4 21.08 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.421 1.088 . . . . 20.0 111.409 177.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -96.23 -14.69 22.5 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.978 0.733 . . . . 20.0 112.978 -168.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.3 m -67.96 -40.75 83.13 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.551 0.74 . . . . 20.0 111.129 173.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.99 -16.58 64.11 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.023 0.929 . . . . 20.0 113.151 173.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.3 t -69.0 -36.17 77.51 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.924 0.89 . . . . 20.0 112.425 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 73.8 m -66.01 -40.06 90.78 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 124.254 1.022 . . . . 20.0 111.724 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.16 -174.64 19.51 Favored Glycine 0 C--O 1.224 -0.528 0 C-N-CA 125.814 1.673 . . . . 20.0 112.961 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -66.49 127.67 33.21 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.878 1.671 . . . . 20.0 110.357 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.35 5.55 87.02 Favored Glycine 0 CA--C 1.534 1.279 0 CA-C-O 118.462 -1.188 . . . . 20.0 115.09 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -137.96 156.04 48.27 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.828 1.651 . . . . 20.0 110.363 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.54 179.91 6.54 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.542 1.537 . . . . 20.0 111.17 -174.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.5 t -112.92 168.91 9.3 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.201 1.0 . . . . 20.0 112.246 -174.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 35.8 t . . . . . 0 CA--C 1.533 0.305 0 C-N-CA 125.741 1.616 . . . . 20.0 110.695 -176.437 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 . . . . . 0 C--O 1.235 0.297 0 CA-C-O 121.458 0.647 . . . . 20.0 110.295 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 98.5 m -85.07 81.77 8.73 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.245 1.418 . . . . 20.0 109.304 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -75.16 158.25 84.28 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 125.556 1.543 . . . . 20.0 110.04 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -68.6 160.32 49.86 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.359 2.039 . . . . 20.0 110.941 177.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.29 -32.53 73.27 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.789 1.236 . . . . 20.0 111.584 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.1 -17.56 63.54 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.445 1.898 . . . . 20.0 113.755 175.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -68.46 123.86 21.97 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 124.427 1.091 . . . . 20.0 111.429 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -78.64 81.22 4.97 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.615 1.166 . . . . 20.0 110.361 173.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.0 p -150.18 -175.48 5.08 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.281 2.232 . . . . 20.0 109.096 167.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -59.49 155.05 15.89 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.872 0.869 . . . . 20.0 110.878 176.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -144.31 112.52 6.41 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.696 1.598 . . . . 20.0 109.131 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -72.61 174.4 7.59 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.981 1.712 . . . . 20.0 109.981 172.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -118.94 -48.3 2.46 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.026 0.93 . . . . 20.0 111.785 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.62 -38.2 26.37 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.466 0.706 . . . . 20.0 111.158 175.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -79.44 -23.81 42.87 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.628 0.771 . . . . 20.0 112.447 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.5 t -65.38 -30.94 71.81 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.749 1.22 . . . . 20.0 112.131 174.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.64 -15.6 63.57 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.245 0.832 . . . . 20.0 113.245 175.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.2 m -66.63 -31.84 72.78 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.75 0.82 . . . . 20.0 111.427 173.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 97.6 m -76.06 -9.89 58.98 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.46 1.504 . . . . 20.0 113.598 173.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.36 -115.52 4.73 Favored Glycine 0 C--N 1.339 0.73 0 C-N-CA 125.467 1.508 . . . . 20.0 110.523 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -131.47 158.37 41.03 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.865 1.666 . . . . 20.0 111.369 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.14 -16.98 6.54 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.587 1.565 . . . . 20.0 114.695 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -129.18 164.26 23.79 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.384 1.874 . . . . 20.0 109.405 177.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.66 165.22 29.38 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.521 1.529 . . . . 20.0 111.508 -178.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 36.8 t -74.08 145.46 44.4 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.544 0.738 . . . . 20.0 110.393 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 52.7 t . . . . . 0 CA--C 1.535 0.392 0 C-N-CA 125.353 1.461 . . . . 20.0 110.135 -177.517 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 C--O 1.234 0.283 0 CA-C-O 121.653 0.74 . . . . 20.0 111.799 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.03 144.28 36.77 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.214 -1.357 . . . . 20.0 109.367 164.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -144.43 165.11 24.79 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 126.574 1.95 . . . . 20.0 109.841 -175.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.91 165.14 33.23 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 122.488 2.125 . . . . 20.0 110.708 171.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.5 mt -64.54 -32.36 73.98 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.711 1.205 . . . . 20.0 111.101 172.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -66.44 -12.77 58.95 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.131 1.772 . . . . 20.0 113.958 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.1 tpt85 -65.94 132.72 49.29 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.594 1.158 . . . . 20.0 110.055 175.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -73.29 79.37 1.33 Allowed 'General case' 0 C--N 1.344 0.329 0 C-N-CA 124.902 1.281 . . . . 20.0 109.819 170.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.9 t -159.8 174.94 13.73 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.255 1.422 . . . . 20.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -67.22 176.67 2.11 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.435 1.894 . . . . 20.0 112.153 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -140.1 157.79 45.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.277 1.831 . . . . 20.0 109.76 176.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.6 mt -133.21 -179.7 5.66 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.306 1.842 . . . . 20.0 110.141 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -120.3 -37.59 3.03 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.84 1.256 . . . . 20.0 112.292 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.63 -44.54 23.64 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.014 0.926 . . . . 20.0 111.062 173.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -88.69 -15.86 33.77 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.82 0.674 . . . . 20.0 112.82 -174.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.0 p -71.4 -23.99 61.97 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.771 0.714 . . . . 20.0 111.893 171.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.7 -24.75 58.81 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.252 1.021 . . . . 20.0 111.894 171.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.5 m -71.04 -28.75 64.61 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 124.19 0.996 . . . . 20.0 111.846 174.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.7 m -65.85 -60.17 3.13 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.692 0.797 . . . . 20.0 109.346 161.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.92 -98.68 0.33 Allowed Glycine 0 C--N 1.344 0.974 0 C-N-CA 125.797 1.665 . . . . 20.0 110.024 -176.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.8 158.2 43.85 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 127.61 2.364 . . . . 20.0 111.325 -176.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.34 10.37 47.77 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.806 1.193 . . . . 20.0 114.217 -176.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -145.83 172.84 12.73 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.003 1.721 . . . . 20.0 110.741 -166.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -154.29 159.53 41.29 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.07 1.748 . . . . 20.0 110.628 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.0 t -75.18 166.76 23.14 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 122.194 -0.316 . . . . 20.0 110.33 169.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 38.7 t . . . . . 0 CA--C 1.532 0.269 0 C-N-CA 124.952 1.301 . . . . 20.0 110.095 176.804 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 CA--C 1.536 0.442 0 CA-C-O 120.87 0.367 . . . . 20.0 110.432 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.7 m -62.54 105.85 0.69 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.187 0.995 . . . . 20.0 109.576 165.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -129.31 158.9 71.7 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 126.237 1.815 . . . . 20.0 109.985 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -70.88 156.93 59.52 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 122.569 2.18 . . . . 20.0 111.668 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.3 -32.87 72.72 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.928 1.691 . . . . 20.0 112.202 172.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -81.3 50.36 1.43 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.964 1.706 . . . . 20.0 111.843 174.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.9 tpp85 -131.38 151.68 51.31 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.336 1.454 . . . . 20.0 110.909 174.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -74.24 68.89 1.52 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.749 2.02 . . . . 20.0 112.853 176.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.4 t -154.72 171.72 19.09 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.423 -0.798 . . . . 20.0 112.44 173.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -70.54 165.98 21.55 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.002 1.721 . . . . 20.0 112.264 -177.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -134.96 114.41 12.47 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.586 1.954 . . . . 20.0 110.283 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.1 mt -80.0 177.64 8.79 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.424 1.489 . . . . 20.0 111.412 166.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -111.95 -46.95 3.17 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.553 1.541 . . . . 20.0 111.561 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.83 -43.45 71.96 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.906 0.883 . . . . 20.0 111.074 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -84.66 -6.95 59.39 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.829 0.852 . . . . 20.0 113.271 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.1 t -59.38 -32.09 69.82 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.402 1.001 . . . . 20.0 112.067 174.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.77 -10.67 57.95 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.168 1.387 . . . . 20.0 114.217 176.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.6 t -62.41 -50.54 71.11 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 125.171 1.388 . . . . 20.0 112.818 -170.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.3 -4.67 45.15 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.986 0.736 . . . . 20.0 112.986 174.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.15 -119.74 3.04 Favored Glycine 0 C--N 1.34 0.785 0 C-N-CA 125.482 1.515 . . . . 20.0 112.363 169.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -131.64 29.13 4.54 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.874 2.07 . . . . 20.0 112.256 -171.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -150.09 15.16 1.01 Allowed Glycine 0 CA--C 1.536 1.347 0 C-N-CA 127.266 2.365 . . . . 20.0 112.767 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.86 -177.77 4.24 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.414 1.486 . . . . 20.0 112.657 -175.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -153.98 145.72 23.37 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.663 1.185 . . . . 20.0 110.161 169.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.1 t -86.23 101.31 12.92 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.202 0.601 . . . . 20.0 110.422 -178.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 50.5 t . . . . . 0 CA--C 1.536 0.434 0 C-N-CA 125.53 1.532 . . . . 20.0 111.144 177.17 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 . . . . . 0 C--O 1.232 0.155 0 N-CA-C 109.74 -0.467 . . . . 20.0 109.74 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.8 m -81.47 110.72 17.14 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.173 0.989 . . . . 20.0 108.962 171.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -102.16 156.7 34.91 Favored Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 125.366 1.466 . . . . 20.0 110.042 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -72.36 148.99 49.96 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.907 2.405 . . . . 20.0 110.006 173.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.59 -28.84 70.16 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.347 1.459 . . . . 20.0 111.932 -177.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -56.93 -27.21 60.69 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.439 1.496 . . . . 20.0 113.348 172.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -75.37 128.7 35.96 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.985 1.314 . . . . 20.0 110.674 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -83.44 105.52 14.45 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.483 1.113 . . . . 20.0 110.31 174.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.9 p -145.62 178.08 8.41 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.036 1.335 . . . . 20.0 110.698 169.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -72.18 92.54 1.36 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.417 1.087 . . . . 20.0 109.597 172.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -69.83 129.26 39.07 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.153 0.981 . . . . 20.0 110.718 178.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -72.3 -179.72 3.02 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.826 2.05 . . . . 20.0 110.762 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -119.42 -37.7 3.12 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.003 0.742 . . . . 20.0 113.003 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -103.79 -30.64 10.26 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.531 1.133 . . . . 20.0 111.546 176.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -88.96 -17.12 30.13 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.501 1.12 . . . . 20.0 111.917 177.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.6 t -67.55 -38.97 84.94 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.458 0.703 . . . . 20.0 110.81 169.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.01 -11.3 60.7 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.804 1.241 . . . . 20.0 113.671 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t -64.76 -48.13 75.66 Favored 'General case' 0 C--N 1.345 0.403 0 C-N-CA 124.88 1.272 . . . . 20.0 113.187 -171.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.76 -8.47 56.92 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.872 1.064 . . . . 20.0 113.872 -177.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.91 171.51 43.45 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 125.24 1.4 . . . . 20.0 112.224 -176.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -62.62 120.46 11.22 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.198 1.399 . . . . 20.0 109.968 -176.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.0 -12.97 8.55 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.655 1.598 . . . . 20.0 113.717 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -139.49 170.84 15.19 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.372 1.469 . . . . 20.0 110.414 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.58 174.28 13.15 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.519 1.528 . . . . 20.0 111.057 177.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.8 t -103.29 164.33 11.7 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.677 0.791 . . . . 20.0 110.533 172.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 93.9 m . . . . . 0 CA--C 1.535 0.383 0 C-N-CA 126.518 1.927 . . . . 20.0 110.305 175.579 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 . . . . . 0 CA--C 1.536 0.42 0 CA-C-O 121.341 0.591 . . . . 20.0 111.837 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.8 m -78.22 78.42 4.69 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.824 1.65 . . . . 20.0 110.113 172.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -77.26 158.05 79.97 Favored Pre-proline 0 CA--C 1.538 0.513 0 C-N-CA 125.256 1.422 . . . . 20.0 111.381 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.71 154.15 71.85 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 122.937 2.425 . . . . 20.0 110.561 176.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.5 mt -63.62 -33.06 74.78 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 125.353 1.461 . . . . 20.0 112.283 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -62.16 -16.05 50.21 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.629 1.971 . . . . 20.0 113.495 175.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.1 tpt85 -68.66 129.42 39.88 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 124.676 1.19 . . . . 20.0 109.083 170.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -73.5 94.85 2.17 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 108.735 -0.839 . . . . 20.0 108.735 171.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.4 t -160.5 176.26 11.82 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.325 1.45 . . . . 20.0 110.234 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.48 160.97 12.61 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.213 1.405 . . . . 20.0 110.807 174.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -138.48 111.16 7.62 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 125.552 1.541 . . . . 20.0 108.646 171.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.16 174.62 6.12 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.157 1.783 . . . . 20.0 109.56 170.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -117.21 -25.17 7.19 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.827 1.047 . . . . 20.0 113.827 -176.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.94 -20.24 7.58 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.896 1.278 . . . . 20.0 112.764 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -91.34 -20.49 21.8 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.114 0.966 . . . . 20.0 111.347 171.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.4 m -76.52 -24.47 53.69 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.556 0.742 . . . . 20.0 111.632 167.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.97 -26.25 63.07 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.841 0.856 . . . . 20.0 111.723 173.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.0 t -68.72 -30.71 69.4 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.802 1.241 . . . . 20.0 111.756 173.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.0 m -76.06 -9.7 58.83 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.988 1.315 . . . . 20.0 113.562 172.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.28 -114.15 4.8 Favored Glycine 0 C--N 1.339 0.706 0 C-N-CA 125.586 1.565 . . . . 20.0 110.343 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -137.56 153.09 50.02 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.647 1.979 . . . . 20.0 111.06 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.64 -3.47 63.71 Favored Glycine 0 CA--C 1.536 1.39 0 CA-C-O 118.675 -1.069 . . . . 20.0 114.621 -177.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -133.15 172.03 13.21 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.773 1.629 . . . . 20.0 110.22 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.13 165.13 30.9 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.33 1.452 . . . . 20.0 111.292 176.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 45.0 t -77.83 135.28 37.92 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.495 -0.928 . . . . 20.0 108.495 165.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 11.6 t . . . . . 0 CA--C 1.533 0.316 0 C-N-CA 125.373 1.469 . . . . 20.0 109.488 178.007 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 . . . . . 0 CA--C 1.531 0.238 0 CA-C-O 121.145 0.498 . . . . 20.0 110.718 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.4 t -80.73 112.26 17.94 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.338 1.055 . . . . 20.0 109.802 -176.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.09 161.12 34.37 Favored Pre-proline 0 CA--C 1.54 0.583 0 C-N-CA 125.861 1.665 . . . . 20.0 110.13 -175.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -69.45 156.22 64.77 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 122.603 2.202 . . . . 20.0 111.041 170.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.2 mt -63.46 -28.59 70.07 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.169 1.388 . . . . 20.0 111.926 178.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -56.38 -30.86 63.23 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.791 1.637 . . . . 20.0 112.888 175.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -76.72 134.12 39.3 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 124.924 1.289 . . . . 20.0 110.292 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -101.15 105.62 16.79 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.935 1.294 . . . . 20.0 110.896 -178.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.9 t -146.08 -76.94 0.19 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.502 1.521 . . . . 20.0 109.3 173.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -151.84 162.55 40.86 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.273 1.829 . . . . 20.0 108.358 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -141.96 96.68 3.01 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.56 1.144 . . . . 20.0 108.946 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.86 172.4 2.28 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.922 1.689 . . . . 20.0 111.101 175.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -106.1 -45.44 4.33 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.41 1.084 . . . . 20.0 112.013 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.26 -36.44 17.92 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.642 0.777 . . . . 20.0 111.561 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -84.43 -27.67 27.41 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.259 0.624 . . . . 20.0 112.096 -174.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.6 m -73.41 -27.24 61.34 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 118.536 0.607 . . . . 20.0 111.383 169.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.47 -26.18 58.0 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.769 0.828 . . . . 20.0 112.276 172.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -71.69 -35.5 70.28 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.439 1.096 . . . . 20.0 110.985 170.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.4 m -67.41 -18.68 65.2 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.364 1.466 . . . . 20.0 112.616 166.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.24 167.35 41.37 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.829 1.681 . . . . 20.0 113.032 -177.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.6 ptmm? -66.5 112.07 3.91 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.862 1.265 . . . . 20.0 111.139 176.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.28 -13.01 7.07 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.234 1.397 . . . . 20.0 113.403 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -134.77 170.81 15.28 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.08 1.752 . . . . 20.0 109.611 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.48 -179.85 7.15 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.497 1.519 . . . . 20.0 111.376 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.8 t -122.39 142.62 50.33 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.903 0.881 . . . . 20.0 110.554 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 28.4 t . . . . . 0 N--CA 1.467 0.424 0 C-N-CA 126.049 1.74 . . . . 20.0 110.219 175.204 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 . . . . . 0 C--O 1.234 0.253 0 CA-C-O 121.663 0.744 . . . . 20.0 111.625 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.2 m -76.0 94.18 3.37 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.936 1.695 . . . . 20.0 109.74 172.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -85.12 158.09 58.78 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 124.911 1.284 . . . . 20.0 110.3 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.1 153.26 67.53 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.773 2.316 . . . . 20.0 110.027 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.9 mt -65.94 -32.05 73.32 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.99 0.916 . . . . 20.0 112.021 -178.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -62.5 -14.61 43.46 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.747 1.619 . . . . 20.0 114.13 173.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -65.96 134.5 53.08 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 124.338 1.055 . . . . 20.0 110.413 175.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -75.84 71.89 2.7 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.281 1.433 . . . . 20.0 109.981 171.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.5 t -149.17 174.98 11.77 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.468 1.507 . . . . 20.0 110.376 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -66.25 159.04 27.4 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.894 1.278 . . . . 20.0 111.413 -176.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -140.08 112.26 7.68 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 126.074 1.75 . . . . 20.0 108.917 175.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.85 -170.69 0.93 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.472 1.909 . . . . 20.0 111.012 175.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -123.94 -27.78 3.87 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 114.336 1.236 . . . . 20.0 114.336 -174.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.74 -25.58 5.88 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.129 1.371 . . . . 20.0 111.525 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -89.31 -24.86 21.92 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.81 1.244 . . . . 20.0 111.491 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.1 p -67.04 -37.6 84.38 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.229 0.612 . . . . 20.0 111.182 167.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.96 -19.99 63.34 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.794 1.238 . . . . 20.0 112.961 177.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.6 t -63.45 -34.68 78.29 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.215 1.006 . . . . 20.0 111.558 174.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 69.9 m -76.75 -12.07 59.93 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.417 1.487 . . . . 20.0 114.169 174.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.26 173.53 46.19 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.451 1.5 . . . . 20.0 112.335 -177.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.04 102.43 6.48 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.709 1.204 . . . . 20.0 109.22 -177.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 140.29 -9.53 2.97 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.424 1.488 . . . . 20.0 113.549 -178.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -141.82 171.25 14.32 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.98 1.712 . . . . 20.0 110.294 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.0 170.6 16.78 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.216 1.406 . . . . 20.0 111.334 177.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.9 t -91.75 116.47 28.92 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 109.976 -0.379 . . . . 20.0 109.976 172.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 38.2 t . . . . . 0 CA--C 1.536 0.413 0 C-N-CA 124.374 1.07 . . . . 20.0 109.931 168.572 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 . . . . . 0 N--CA 1.463 0.178 0 CA-C-O 120.888 0.375 . . . . 20.0 110.667 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.5 m -111.84 105.43 13.89 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.7 1.2 . . . . 20.0 109.101 -177.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -131.68 157.28 78.61 Favored Pre-proline 0 CA--C 1.538 0.515 0 C-N-CA 126.934 2.094 . . . . 20.0 109.412 -174.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.34 157.33 62.27 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.376 2.05 . . . . 20.0 111.32 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -61.65 -33.29 73.71 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.162 1.385 . . . . 20.0 111.78 178.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -62.03 -17.2 56.54 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.868 1.667 . . . . 20.0 114.081 177.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -62.84 129.35 40.07 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.297 1.039 . . . . 20.0 110.299 178.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -88.26 79.43 7.82 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.211 1.004 . . . . 20.0 110.544 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.5 p -155.57 -178.61 7.41 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.842 1.657 . . . . 20.0 111.252 174.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -68.61 163.82 22.83 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.345 1.458 . . . . 20.0 110.719 177.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -154.76 -177.4 6.48 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.958 0.903 . . . . 20.0 112.063 177.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.9 mt -131.44 -176.68 4.11 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.386 1.874 . . . . 20.0 110.46 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -113.25 -40.32 3.94 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.671 1.188 . . . . 20.0 111.682 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.81 -40.59 32.51 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.798 0.839 . . . . 20.0 111.735 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -85.14 -21.39 29.27 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.032 0.933 . . . . 20.0 112.214 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.3 t -61.12 -43.48 98.82 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.38 0.672 . . . . 20.0 110.868 169.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.4 -20.77 64.7 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.558 1.143 . . . . 20.0 113.356 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.4 m -67.99 -34.27 76.21 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 123.683 0.793 . . . . 20.0 111.731 177.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 10.8 m -79.91 -8.11 59.13 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.963 1.305 . . . . 20.0 114.367 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.8 179.46 36.1 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 124.224 0.916 . . . . 20.0 113.342 175.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -62.03 114.6 3.49 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.878 2.071 . . . . 20.0 111.072 -173.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.15 7.53 60.84 Favored Glycine 0 CA--C 1.534 1.244 0 CA-C-O 118.764 -1.02 . . . . 20.0 114.739 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -116.29 165.99 12.55 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.449 1.5 . . . . 20.0 110.285 176.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -146.33 178.05 8.54 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.189 1.395 . . . . 20.0 111.454 176.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.9 t -84.89 164.51 18.34 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 122.415 0.286 . . . . 20.0 111.053 172.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.341 0.211 0 C-N-CA 125.582 1.553 . . . . 20.0 109.929 172.944 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 C--O 1.233 0.213 0 CA-C-O 121.425 0.631 . . . . 20.0 109.699 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 79.3 m -87.05 87.41 7.45 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.604 1.562 . . . . 20.0 110.357 -168.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -87.88 162.02 42.55 Favored Pre-proline 0 CA--C 1.541 0.609 0 C-N-CA 126.202 1.801 . . . . 20.0 110.356 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.47 155.24 69.77 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.53 2.153 . . . . 20.0 110.289 169.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.3 mt -62.68 -38.78 91.72 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.564 1.146 . . . . 20.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -79.93 64.34 4.75 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.615 1.566 . . . . 20.0 110.865 175.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -132.91 149.62 52.23 Favored 'General case' 0 C--N 1.341 0.239 0 C-N-CA 124.888 1.275 . . . . 20.0 111.396 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -72.69 20.69 0.07 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.462 2.305 . . . . 20.0 114.765 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.4 t -109.65 175.06 5.59 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.692 1.597 . . . . 20.0 111.659 -178.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -65.56 160.14 23.07 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.149 1.779 . . . . 20.0 110.606 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -140.2 113.96 8.79 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.885 1.674 . . . . 20.0 109.293 172.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.14 175.74 6.48 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.507 1.523 . . . . 20.0 111.064 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -116.84 -21.55 8.95 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.445 1.098 . . . . 20.0 113.936 -175.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.22 -15.6 12.7 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.3 1.44 . . . . 20.0 112.968 176.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -118.98 -6.07 10.51 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 125.353 1.461 . . . . 20.0 112.922 -174.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.8 p -65.95 -45.1 83.01 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.372 0.669 . . . . 20.0 110.691 166.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.51 -14.06 62.0 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.165 1.386 . . . . 20.0 113.69 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t -68.4 -32.74 73.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.972 0.909 . . . . 20.0 111.79 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 35.2 m -69.62 -35.88 75.66 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.213 1.005 . . . . 20.0 112.303 170.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 131.56 174.88 13.78 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 125.15 1.357 . . . . 20.0 112.166 177.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -71.63 107.26 4.39 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.032 1.333 . . . . 20.0 109.056 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.44 2.16 21.44 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.95 1.262 . . . . 20.0 114.387 -178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -134.13 169.67 16.82 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.962 1.381 . . . . 20.0 110.446 178.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.29 157.97 43.23 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.347 1.059 . . . . 20.0 112.148 175.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.1 t -75.53 151.94 37.87 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.36 1.064 . . . . 20.0 109.869 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 10.3 t . . . . . 0 CA--C 1.534 0.341 0 C-N-CA 125.401 1.48 . . . . 20.0 110.592 -176.871 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 121.137 0.494 . . . . 20.0 110.787 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.6 t -84.14 105.05 14.7 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.512 1.525 . . . . 20.0 109.103 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -131.12 161.68 60.25 Favored Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 125.067 1.347 . . . . 20.0 111.356 -177.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.41 167.68 19.94 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.925 2.417 . . . . 20.0 112.036 173.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.4 -34.51 76.88 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.594 1.557 . . . . 20.0 111.235 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -82.21 63.17 6.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.561 1.544 . . . . 20.0 111.17 172.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -140.86 159.43 42.23 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.666 1.186 . . . . 20.0 111.768 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -81.44 52.63 1.9 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.898 1.679 . . . . 20.0 112.89 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.6 m -135.04 167.3 21.2 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.564 1.546 . . . . 20.0 110.244 167.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.69 173.56 2.76 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.473 1.909 . . . . 20.0 110.5 169.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -124.65 101.64 7.21 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.15 1.78 . . . . 20.0 108.593 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -64.96 -176.53 0.28 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.979 2.512 . . . . 20.0 111.633 174.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -123.02 -44.59 2.17 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.674 1.189 . . . . 20.0 111.868 174.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.48 -31.85 32.74 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.599 0.76 . . . . 20.0 113.015 -175.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -101.26 -25.32 14.03 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.253 1.421 . . . . 20.0 111.576 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.9 t -72.49 12.56 0.45 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.457 1.903 . . . . 20.0 112.543 167.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -118.68 1.84 11.65 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.434 1.894 . . . . 20.0 112.407 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.3 m -114.3 -18.41 11.59 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.797 1.239 . . . . 20.0 113.702 -169.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 9.6 m -77.71 -17.38 57.68 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.721 1.209 . . . . 20.0 113.987 177.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.17 -123.97 5.84 Favored Glycine 0 C--N 1.344 1.024 0 C-N-CA 124.723 1.154 . . . . 20.0 110.928 -174.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -130.46 155.02 47.15 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.718 1.607 . . . . 20.0 110.254 176.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.67 27.9 68.35 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.454 1.026 . . . . 20.0 113.51 -176.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -136.06 167.32 21.46 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.985 1.714 . . . . 20.0 112.657 -163.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -156.84 179.27 9.44 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.768 1.627 . . . . 20.0 110.613 164.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.1 t -135.18 159.24 42.15 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.495 1.118 . . . . 20.0 111.013 173.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 59.8 m . . . . . 0 CA--C 1.546 0.821 0 C-N-CA 125.974 1.71 . . . . 20.0 112.007 -179.163 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 C--O 1.234 0.26 0 CA-C-O 122.215 1.007 . . . . 20.0 111.893 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.1 m -105.38 131.97 52.15 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.907 1.683 . . . . 20.0 110.012 -174.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -136.17 163.7 48.28 Favored Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 126.226 1.81 . . . . 20.0 109.946 -169.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.55 161.43 43.55 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.473 2.115 . . . . 20.0 110.952 175.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.1 mt -63.8 -32.64 74.21 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.336 1.054 . . . . 20.0 111.113 175.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -62.46 -15.7 51.18 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.891 1.676 . . . . 20.0 114.164 175.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -70.28 144.48 51.76 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.091 0.859 . . . . 20.0 110.553 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -82.56 18.66 1.45 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.077 0.951 . . . . 20.0 113.234 172.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 m -64.03 168.73 4.98 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.547 -0.721 . . . . 20.0 110.945 160.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -66.95 172.47 4.43 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.438 1.095 . . . . 20.0 111.179 171.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -137.38 99.32 3.93 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.854 1.662 . . . . 20.0 108.96 176.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.55 178.19 1.71 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.073 1.749 . . . . 20.0 111.042 176.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -112.11 -19.59 12.24 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.859 1.059 . . . . 20.0 113.859 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -123.06 -17.76 6.59 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.901 1.28 . . . . 20.0 113.244 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -101.63 -16.66 16.65 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.66 1.184 . . . . 20.0 112.153 173.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.6 t -66.61 -50.7 62.15 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.97 0.805 . . . . 20.0 111.117 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.86 -20.39 64.27 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.773 0.829 . . . . 20.0 113.146 174.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 t -68.15 -27.34 66.35 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.29 1.036 . . . . 20.0 112.083 175.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 57.5 m -74.74 -11.55 60.19 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 114.11 1.152 . . . . 20.0 114.11 175.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.72 174.68 20.33 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 125.155 1.359 . . . . 20.0 112.82 174.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -66.39 112.46 4.05 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.865 1.666 . . . . 20.0 109.811 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.44 13.09 56.36 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-O 118.534 -1.148 . . . . 20.0 114.453 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -130.02 171.19 13.06 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.171 1.389 . . . . 20.0 111.446 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -147.39 166.95 25.64 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.139 1.776 . . . . 20.0 111.093 176.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 49.3 t -103.16 141.36 35.99 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.061 1.345 . . . . 20.0 110.067 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 73.5 m . . . . . 0 CA--C 1.545 0.782 0 C-N-CA 124.475 1.11 . . . . 20.0 111.261 171.169 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.3 tp . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 119.164 -0.446 . . . . 20.0 110.777 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.1 m -103.95 139.16 39.49 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.115 1.366 . . . . 20.0 109.279 -173.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.46 -1.45 64.22 Favored Glycine 0 CA--C 1.537 1.431 0 CA-C-O 118.672 -1.071 . . . . 20.0 114.037 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.2 m -136.72 -178.41 5.17 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.958 2.103 . . . . 20.0 110.244 174.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -95.09 -66.87 0.88 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.44 1.496 . . . . 20.0 110.645 176.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.15 -72.06 0.03 OUTLIER Glycine 0 C--N 1.343 0.971 0 CA-C-N 118.729 0.695 . . . . 20.0 112.843 -176.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -63.0 -23.51 67.48 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.457 1.103 . . . . 20.0 112.265 175.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 162.0 -7.8 0.09 OUTLIER Glycine 0 CA--C 1.533 1.164 0 CA-C-O 118.352 -1.249 . . . . 20.0 114.634 172.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.46 -131.45 19.49 Favored Glycine 0 CA--C 1.53 0.996 0 CA-C-N 119.818 1.809 . . . . 20.0 110.216 -172.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -135.02 132.84 38.76 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.991 1.316 . . . . 20.0 110.999 176.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.4 m -80.87 130.81 35.24 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.434 1.494 . . . . 20.0 110.879 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -133.96 160.97 66.5 Favored Pre-proline 0 CA--C 1.54 0.58 0 C-N-CA 126.924 2.089 . . . . 20.0 110.495 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.14 157.56 59.1 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.782 2.322 . . . . 20.0 111.031 172.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.4 mt -66.4 -38.65 87.98 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.193 1.397 . . . . 20.0 110.961 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -84.6 63.35 7.86 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.104 1.362 . . . . 20.0 110.646 173.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -132.32 152.3 51.47 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 125.49 1.516 . . . . 20.0 110.68 176.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -87.44 73.69 9.5 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.067 0.947 . . . . 20.0 110.166 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.8 p -158.12 172.95 17.47 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.034 1.334 . . . . 20.0 110.878 168.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.87 169.21 0.78 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.636 1.974 . . . . 20.0 112.321 -174.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -152.59 149.79 28.85 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.61 0.764 . . . . 20.0 111.055 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.9 mt -134.03 175.02 9.86 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 126.496 1.918 . . . . 20.0 109.853 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -119.05 -33.49 4.15 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.958 1.303 . . . . 20.0 111.826 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.13 -30.84 39.1 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.384 1.074 . . . . 20.0 112.569 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -105.81 -12.35 15.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.148 0.979 . . . . 20.0 113.015 -176.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.2 p -65.49 -22.87 66.78 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.284 0.947 . . . . 20.0 112.121 170.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.87 -20.75 64.28 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.858 1.663 . . . . 20.0 113.35 173.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.8 t -67.33 -39.92 85.89 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.354 1.061 . . . . 20.0 110.597 173.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 61.2 m -74.27 -20.64 60.08 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.147 1.379 . . . . 20.0 112.856 171.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.43 -136.05 12.6 Favored Glycine 0 C--N 1.341 0.816 0 C-N-CA 125.854 1.692 . . . . 20.0 111.18 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -112.03 111.12 21.82 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.146 1.778 . . . . 20.0 108.68 -178.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.33 -1.98 11.42 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.917 1.246 . . . . 20.0 114.509 176.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -140.07 169.49 17.61 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.296 1.438 . . . . 20.0 111.14 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.73 167.1 22.89 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.185 1.394 . . . . 20.0 111.651 178.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 34.8 t -85.75 144.09 27.96 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.197 0.999 . . . . 20.0 110.033 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.6 m -136.4 171.25 14.76 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.855 1.262 . . . . 20.0 112.185 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.7 m -121.94 -176.76 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 127.019 2.128 . . . . 20.0 110.62 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 2.1 p90 -135.14 -20.1 1.69 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.156 1.783 . . . . 20.0 112.834 -175.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -75.07 172.45 12.33 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.421 1.088 . . . . 20.0 112.136 176.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 . . . . . 0 C--O 1.251 1.163 0 CA-C-O 116.939 -1.505 . . . . 20.0 111.218 -174.888 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 54.1 tp . . . . . 0 N--CA 1.474 0.732 0 CA-C-O 120.376 0.131 . . . . 20.0 110.713 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.6 m -111.95 -64.31 1.31 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.283 1.433 . . . . 20.0 109.115 175.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -159.28 -152.24 6.4 Favored Glycine 0 C--N 1.339 0.731 0 C-N-CA 125.306 1.432 . . . . 20.0 111.901 -174.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.9 m -74.18 -179.84 4.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.426 1.89 . . . . 20.0 112.404 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -113.85 -10.1 13.01 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.82 1.648 . . . . 20.0 113.695 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.54 -45.65 1.26 Allowed Glycine 0 C--N 1.346 1.113 0 C-N-CA 124.988 1.28 . . . . 20.0 112.092 174.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.84 -30.1 7.42 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.896 1.278 . . . . 20.0 110.925 173.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.97 6.73 55.12 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 125.247 1.403 . . . . 20.0 114.4 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.8 159.6 13.65 Favored Glycine 0 C--N 1.342 0.91 0 C-N-CA 124.801 1.191 . . . . 20.0 112.456 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -83.13 164.34 20.3 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.154 1.382 . . . . 20.0 110.905 176.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 87.1 m -131.67 112.12 12.29 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.543 1.137 . . . . 20.0 108.832 170.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -133.85 157.83 76.87 Favored Pre-proline 0 CA--C 1.537 0.463 0 C-N-CA 126.527 1.931 . . . . 20.0 109.736 -173.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.47 157.81 60.29 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.462 2.108 . . . . 20.0 111.201 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.59 -27.09 69.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.796 1.638 . . . . 20.0 111.451 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -59.07 -25.11 63.47 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.937 2.095 . . . . 20.0 114.215 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -72.21 149.58 44.47 Favored 'General case' 0 C--N 1.344 0.338 0 C-N-CA 123.791 0.837 . . . . 20.0 110.338 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -80.19 99.78 7.97 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 108.951 -0.759 . . . . 20.0 108.951 167.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.6 m -151.36 165.93 32.57 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 126.209 1.804 . . . . 20.0 110.094 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -65.21 144.5 57.14 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.664 1.186 . . . . 20.0 109.052 169.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -127.33 99.42 5.64 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 124.161 0.985 . . . . 20.0 109.49 -176.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.52 168.03 17.14 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.598 1.559 . . . . 20.0 111.433 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -110.82 -29.2 8.07 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.892 1.071 . . . . 20.0 113.892 -173.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.91 7.19 10.38 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.948 1.699 . . . . 20.0 111.795 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -126.66 -17.57 4.99 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.55 1.54 . . . . 20.0 112.153 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.6 t -64.89 -39.7 93.95 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.925 0.89 . . . . 20.0 110.786 168.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.66 -18.22 65.25 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.154 1.382 . . . . 20.0 113.774 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.0 m -65.28 -28.74 69.54 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.124 0.969 . . . . 20.0 112.217 177.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 89.4 m -77.86 -51.63 10.15 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.722 1.209 . . . . 20.0 111.104 172.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 139.26 176.8 14.97 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 125.315 1.436 . . . . 20.0 111.652 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.88 133.83 51.75 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.559 0.744 . . . . 20.0 110.491 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.11 -0.3 87.41 Favored Glycine 0 CA--C 1.536 1.365 0 CA-C-O 118.557 -1.135 . . . . 20.0 114.586 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -126.02 165.29 19.07 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.9 1.35 . . . . 20.0 110.3 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -139.63 177.28 8.05 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.837 1.655 . . . . 20.0 110.946 174.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.3 t -120.37 108.76 14.52 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 124.291 1.036 . . . . 20.0 110.584 -176.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.4 t -78.98 167.5 21.03 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.28 1.432 . . . . 20.0 111.182 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.3 m -130.37 146.57 33.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 125.302 1.441 . . . . 20.0 109.522 170.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 3.6 p90 -75.17 -14.73 60.57 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.04 1.336 . . . . 20.0 112.793 173.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 41.75 72.1 0.18 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 128.384 2.674 . . . . 20.0 111.771 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.098 0 CA-C-O 116.463 -1.732 . . . . 20.0 112.927 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 118.756 -0.64 . . . . 20.0 112.686 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.9 t -113.22 167.74 10.3 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.74 1.616 . . . . 20.0 110.58 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.26 108.47 0.24 Allowed Glycine 0 C--N 1.343 0.927 0 CA-C-O 120.038 -0.312 . . . . 20.0 113.158 -175.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.4 t -53.53 -46.22 70.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.549 1.94 . . . . 20.0 112.906 174.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.04 -32.84 1.38 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.412 1.085 . . . . 20.0 113.405 174.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 148.38 0.24 0.53 Allowed Glycine 0 CA--C 1.536 1.387 0 CA-C-O 117.977 -1.457 . . . . 20.0 116.024 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -123.21 -54.47 1.8 Allowed 'General case' 0 C--N 1.345 0.396 0 CA-C-N 119.685 1.742 . . . . 20.0 110.301 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.97 -49.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 C-N-CA 125.325 1.441 . . . . 20.0 110.733 172.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 127.17 -172.46 18.61 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 125.871 1.701 . . . . 20.0 111.562 -178.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -135.62 167.55 20.9 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.447 1.099 . . . . 20.0 109.929 169.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.1 m -121.3 66.13 0.88 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.126 1.37 . . . . 20.0 109.717 -171.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -72.73 156.22 90.17 Favored Pre-proline 0 CA--C 1.539 0.556 0 C-N-CA 124.866 1.266 . . . . 20.0 111.09 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.38 157.12 53.81 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 123.301 2.668 . . . . 20.0 110.507 173.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.3 mt -61.72 -34.51 75.93 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.738 1.215 . . . . 20.0 112.168 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -62.78 -13.73 36.67 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.15 1.38 . . . . 20.0 114.073 177.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.8 tpt85 -66.56 134.51 52.52 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 124.302 1.041 . . . . 20.0 110.201 173.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -72.88 86.53 1.28 Allowed 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.096 0.958 . . . . 20.0 109.598 169.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.7 t -158.29 173.82 16.09 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.828 1.651 . . . . 20.0 110.109 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -70.94 174.53 6.05 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.87 1.268 . . . . 20.0 111.16 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -139.91 152.83 46.71 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.066 1.746 . . . . 20.0 109.773 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt -127.38 -174.72 3.24 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.315 1.846 . . . . 20.0 109.754 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -129.4 -36.18 1.7 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.81 1.244 . . . . 20.0 112.478 177.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.15 -46.72 27.24 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.062 0.945 . . . . 20.0 110.805 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -83.32 -25.77 31.2 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.31 0.644 . . . . 20.0 111.803 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.3 t -76.03 -1.31 25.2 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.476 1.111 . . . . 20.0 112.509 172.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.27 14.14 32.77 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.984 1.714 . . . . 20.0 111.97 172.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 t -128.49 13.36 6.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.748 1.619 . . . . 20.0 113.763 -171.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.6 m -128.81 -16.28 4.21 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 115.117 1.525 . . . . 20.0 115.117 -170.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 124.74 -125.55 5.75 Favored Glycine 0 C--N 1.345 1.029 0 C-N-CA 124.978 1.275 . . . . 20.0 112.274 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -135.07 149.08 50.03 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.871 1.669 . . . . 20.0 109.971 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.47 19.42 76.2 Favored Glycine 0 CA--C 1.537 1.409 0 CA-C-O 118.919 -0.934 . . . . 20.0 114.131 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -122.79 174.21 7.27 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.195 1.798 . . . . 20.0 112.222 -170.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.37 169.06 25.46 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.034 1.734 . . . . 20.0 110.327 161.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 11.5 t -93.62 110.42 22.03 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 122.832 0.453 . . . . 20.0 110.022 173.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 36.1 t -80.73 134.48 35.84 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.36 1.064 . . . . 20.0 110.347 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.0 m -118.08 141.99 34.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 126.562 1.945 . . . . 20.0 108.804 174.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -69.87 -33.52 72.36 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.772 0.829 . . . . 20.0 112.268 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 pp -79.67 170.08 17.06 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.738 1.615 . . . . 20.0 111.487 176.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 64.5 t60 . . . . . 0 C--O 1.251 1.151 0 CA-C-O 117.04 -1.457 . . . . 20.0 111.119 176.933 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.2 tp . . . . . 0 N--CA 1.474 0.736 0 CA-C-O 119.35 -0.357 . . . . 20.0 110.76 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.1 m -112.32 -25.86 9.04 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.521 1.128 . . . . 20.0 111.865 -174.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.34 -30.28 0.24 Allowed Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.394 0.997 . . . . 20.0 114.162 168.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 55.4 m -143.77 174.55 10.71 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.33 1.452 . . . . 20.0 111.195 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -134.16 -11.79 2.52 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.585 1.554 . . . . 20.0 112.938 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.5 -23.42 31.56 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 126.243 1.877 . . . . 20.0 113.559 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -135.44 -20.41 1.61 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.977 1.311 . . . . 20.0 112.943 175.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.04 -5.82 71.83 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.686 1.136 . . . . 20.0 113.893 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.37 -173.77 13.26 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 127.175 2.321 . . . . 20.0 110.485 176.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -129.59 143.0 50.63 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.809 0.844 . . . . 20.0 111.743 -170.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.8 m -85.49 91.58 8.27 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 126.068 1.747 . . . . 20.0 109.348 174.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -96.81 161.6 25.93 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 126.062 1.745 . . . . 20.0 109.653 177.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -64.91 164.21 25.47 Favored 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 122.42 2.08 . . . . 20.0 112.138 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -62.08 -31.13 71.53 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.749 1.22 . . . . 20.0 111.05 173.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -60.6 -17.85 49.21 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.474 2.31 . . . . 20.0 114.279 173.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.76 137.12 57.6 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 124.744 1.218 . . . . 20.0 110.396 177.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -82.19 80.18 8.48 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.022 -0.733 . . . . 20.0 109.022 167.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.6 p -149.85 173.99 13.15 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.953 1.301 . . . . 20.0 111.127 174.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -68.67 165.26 19.77 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.26 1.024 . . . . 20.0 111.316 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -137.67 155.88 48.64 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.749 1.22 . . . . 20.0 110.254 -174.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.4 mt -126.01 -175.69 3.43 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.434 1.894 . . . . 20.0 110.296 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -125.39 -39.51 2.18 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 124.827 1.251 . . . . 20.0 112.15 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.84 -46.92 27.79 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.336 1.055 . . . . 20.0 110.785 172.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -87.46 -29.23 21.56 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 123.481 0.712 . . . . 20.0 112.651 -173.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.4 t -65.91 -34.25 77.7 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.434 0.694 . . . . 20.0 110.842 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.86 -34.28 77.45 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.754 1.222 . . . . 20.0 112.361 171.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.3 m -71.26 -29.0 64.56 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.266 1.026 . . . . 20.0 113.021 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 40.3 m -71.43 -12.44 61.41 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.247 1.203 . . . . 20.0 114.247 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.48 157.72 33.95 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 125.098 1.332 . . . . 20.0 112.073 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.07 101.64 3.96 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.57 1.148 . . . . 20.0 110.047 -171.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 132.84 -8.84 5.2 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 126.414 1.959 . . . . 20.0 113.161 -173.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.8 mp0 -134.6 161.05 36.18 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.465 1.506 . . . . 20.0 110.902 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -139.49 165.52 27.01 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.843 2.457 . . . . 20.0 110.208 178.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 11.5 t -98.0 112.37 24.33 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.126 0.57 . . . . 20.0 110.425 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 70.4 m -71.75 155.8 40.05 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.73 0.812 . . . . 20.0 110.558 170.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.7 m -66.11 141.5 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 123.219 0.608 . . . . 20.0 109.637 163.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 2.1 p90 -72.03 -18.28 61.97 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.15 0.98 . . . . 20.0 112.273 172.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.26 103.41 1.24 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.263 1.825 . . . . 20.0 109.53 -177.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.3 t60 . . . . . 0 C--O 1.263 1.803 0 C-N-CA 125.08 1.352 . . . . 20.0 111.141 -176.199 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.0 tp . . . . . 0 N--CA 1.467 0.399 0 N-CA-C 110.781 -0.081 . . . . 20.0 110.781 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.8 m -100.56 -32.64 10.67 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.969 1.307 . . . . 20.0 111.283 173.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.93 4.68 1.51 Allowed Glycine 0 CA--C 1.534 1.228 0 N-CA-C 116.113 1.205 . . . . 20.0 116.113 169.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.4 m -152.67 -171.49 3.95 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.317 1.847 . . . . 20.0 108.653 173.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -55.97 -21.85 23.31 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.826 1.25 . . . . 20.0 114.172 176.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.85 -32.38 2.13 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 125.518 1.532 . . . . 20.0 112.538 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -77.86 -15.4 59.07 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.247 1.419 . . . . 20.0 113.094 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.53 -30.6 1.94 Allowed Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.687 1.613 . . . . 20.0 113.956 -178.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.17 -141.46 37.49 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 126.046 1.784 . . . . 20.0 112.067 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -133.67 154.84 50.61 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.657 1.583 . . . . 20.0 109.987 169.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.7 m -80.96 89.26 5.89 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.675 1.19 . . . . 20.0 109.471 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -84.77 155.69 61.6 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 124.851 1.26 . . . . 20.0 110.725 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.21 155.73 63.77 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.575 2.183 . . . . 20.0 110.528 176.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.09 -33.64 76.23 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.259 1.024 . . . . 20.0 111.914 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -64.23 -16.31 61.78 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.616 1.567 . . . . 20.0 114.031 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 -66.14 160.42 24.1 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.144 0.978 . . . . 20.0 110.233 171.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -105.75 108.28 19.71 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.869 1.267 . . . . 20.0 108.81 172.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.1 -175.14 4.7 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.699 1.199 . . . . 20.0 111.465 178.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -55.32 -52.41 63.56 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.793 1.637 . . . . 20.0 111.706 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 60.46 98.1 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 128.159 2.584 . . . . 20.0 112.783 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.1 mt -72.29 172.04 11.03 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.389 1.076 . . . . 20.0 111.111 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -117.2 -41.95 2.95 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 124.539 1.135 . . . . 20.0 112.382 -176.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.64 -17.81 32.91 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.814 0.845 . . . . 20.0 112.177 173.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -116.86 -6.48 11.49 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.466 1.106 . . . . 20.0 112.539 -168.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.5 p -63.57 -33.26 75.2 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.405 0.682 . . . . 20.0 111.682 162.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.67 -9.69 57.68 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.701 1.601 . . . . 20.0 114.027 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.3 t -65.13 -45.09 86.5 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.026 0.93 . . . . 20.0 110.938 172.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 36.5 m -70.8 -12.85 61.8 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.77 1.228 . . . . 20.0 113.166 171.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.43 179.3 38.14 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 125.559 1.552 . . . . 20.0 112.961 176.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -61.48 118.06 6.52 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.698 1.599 . . . . 20.0 110.595 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.49 -2.0 39.7 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.962 1.267 . . . . 20.0 114.969 174.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -128.64 170.32 13.39 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.238 1.415 . . . . 20.0 110.16 178.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -139.42 168.18 20.41 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.738 0.815 . . . . 20.0 113.062 176.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.3 t -92.23 134.1 35.2 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 125.278 1.431 . . . . 20.0 109.563 175.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 67.6 m -138.3 154.73 49.01 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.018 1.727 . . . . 20.0 109.771 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.9 m -137.43 132.78 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 C-N-CA 125.669 1.587 . . . . 20.0 110.145 175.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -61.43 -18.06 57.13 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.502 1.521 . . . . 20.0 114.022 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.1 tt -68.1 -34.61 76.7 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.093 1.357 . . . . 20.0 112.065 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.5 t60 . . . . . 0 C--O 1.247 0.94 0 C-N-CA 124.662 1.185 . . . . 20.0 109.669 -173.598 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.2 tp . . . . . 0 N--CA 1.468 0.472 0 CA-C-O 120.659 0.266 . . . . 20.0 111.381 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.8 t -82.02 171.04 14.86 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.323 1.449 . . . . 20.0 111.295 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.08 104.27 1.47 Allowed Glycine 0 CA--C 1.528 0.9 0 C-N-CA 124.593 1.092 . . . . 20.0 111.119 175.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 32.3 m -63.96 -28.88 70.12 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 125.014 1.326 . . . . 20.0 114.466 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -54.37 -31.3 54.42 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.389 1.476 . . . . 20.0 112.772 175.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.31 -34.19 29.93 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-O 119.141 -0.811 . . . . 20.0 113.426 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -73.45 -40.28 64.3 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.285 1.434 . . . . 20.0 112.242 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 130.16 1.63 5.26 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.472 1.51 . . . . 20.0 113.636 -172.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -88.03 -178.71 47.41 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 125.438 1.494 . . . . 20.0 112.525 174.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -134.45 166.75 22.13 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.384 1.473 . . . . 20.0 110.837 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.2 m -114.94 118.68 34.14 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.751 1.621 . . . . 20.0 109.376 175.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -144.05 160.98 47.58 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 126.445 1.898 . . . . 20.0 109.711 -168.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -69.01 162.19 42.7 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.343 2.029 . . . . 20.0 111.605 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.3 mt -61.2 -33.94 74.27 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.444 1.498 . . . . 20.0 111.837 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -58.66 -23.1 58.61 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.493 1.917 . . . . 20.0 114.048 176.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -63.38 151.15 41.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.311 1.044 . . . . 20.0 111.191 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -91.2 83.94 5.6 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.503 1.121 . . . . 20.0 110.002 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.0 t -160.91 178.67 9.17 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.793 1.237 . . . . 20.0 111.554 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -61.83 159.02 14.61 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.987 1.715 . . . . 20.0 110.782 173.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -136.77 107.01 6.38 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.936 1.694 . . . . 20.0 109.393 -178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.1 mt -79.2 -176.86 5.37 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.06 1.344 . . . . 20.0 111.489 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -124.76 -41.21 2.14 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.459 1.104 . . . . 20.0 111.995 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.79 -38.14 33.71 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.714 0.806 . . . . 20.0 112.009 176.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -100.02 -13.04 19.23 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.787 0.835 . . . . 20.0 112.781 -176.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.7 t -65.78 -44.53 85.52 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.55 0.74 . . . . 20.0 110.758 172.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.59 -23.88 64.52 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.215 1.006 . . . . 20.0 112.861 173.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.4 t -70.11 -30.46 67.67 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.038 0.935 . . . . 20.0 112.112 177.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 93.8 m -68.15 -61.06 2.03 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 123.846 0.858 . . . . 20.0 109.987 167.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.89 -179.74 29.1 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 123.873 0.749 . . . . 20.0 112.476 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -63.83 141.82 58.63 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.087 0.955 . . . . 20.0 110.367 170.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.78 10.56 58.64 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.308 0.956 . . . . 20.0 113.939 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -128.37 166.51 18.55 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 125.307 1.443 . . . . 20.0 110.418 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -145.72 174.95 10.76 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.612 1.565 . . . . 20.0 110.374 173.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 14.8 t -109.46 127.39 54.38 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 123.891 0.876 . . . . 20.0 110.335 173.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 40.9 t -94.5 150.43 20.26 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.839 1.656 . . . . 20.0 110.676 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.7 m -74.07 -179.87 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 125.588 1.555 . . . . 20.0 111.517 170.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -126.93 -58.33 1.3 Allowed 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 125.62 1.568 . . . . 20.0 109.523 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.6 mt 54.79 4.42 0.07 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 128.084 2.553 . . . . 20.0 115.462 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 38.7 t60 . . . . . 0 C--O 1.253 1.252 0 C-N-CA 125.471 1.508 . . . . 20.0 111.74 -167.336 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 pt? . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 113.749 1.018 . . . . 20.0 113.749 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.9 p -99.28 -174.68 2.8 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 126.978 2.111 . . . . 20.0 111.061 174.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -167.13 108.17 0.3 Allowed Glycine 0 C--N 1.342 0.891 0 N-CA-C 108.295 -1.922 . . . . 20.0 108.295 176.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.3 m 54.62 -175.5 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 126.284 1.834 . . . . 20.0 112.352 -173.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -61.01 -50.88 71.56 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.695 1.198 . . . . 20.0 112.42 -178.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.36 15.47 3.92 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 126.522 2.01 . . . . 20.0 112.058 -176.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt 59.79 22.36 11.24 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.39 1.876 . . . . 20.0 115.027 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.13 16.18 5.95 Favored Glycine 0 CA--C 1.542 1.733 0 C-N-CA 125.803 1.668 . . . . 20.0 113.91 169.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.69 -173.01 35.39 Favored Glycine 0 C--N 1.34 0.784 0 C-N-CA 126.189 1.852 . . . . 20.0 110.639 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -129.72 159.78 35.4 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.886 1.275 . . . . 20.0 111.542 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.8 m -77.9 92.95 4.32 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.087 1.355 . . . . 20.0 109.084 171.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -98.5 164.54 16.88 Favored Pre-proline 0 CA--C 1.538 0.507 0 C-N-CA 126.835 2.054 . . . . 20.0 109.883 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -66.18 160.51 44.54 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.386 2.057 . . . . 20.0 111.143 176.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.1 mt -63.0 -32.83 74.28 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.2 1.4 . . . . 20.0 111.752 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -68.48 -9.32 48.08 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.946 1.699 . . . . 20.0 114.539 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -66.92 148.19 52.27 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.138 0.881 . . . . 20.0 112.131 -173.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -78.69 75.79 5.2 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.185 1.394 . . . . 20.0 109.756 173.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -161.26 179.77 8.07 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.934 1.694 . . . . 20.0 109.949 175.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -65.98 167.78 9.22 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.477 1.111 . . . . 20.0 111.62 172.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -135.53 151.97 50.85 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 127.094 2.157 . . . . 20.0 109.084 176.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.9 mt -128.17 179.78 5.42 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.508 1.123 . . . . 20.0 109.176 177.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -119.84 -45.5 2.48 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.64 1.176 . . . . 20.0 111.371 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.56 -39.47 45.7 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.887 0.475 . . . . 20.0 111.35 175.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -86.56 -21.63 26.77 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 122.551 0.341 . . . . 20.0 111.626 -176.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.9 t -69.67 -38.29 77.0 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.344 0.658 . . . . 20.0 110.758 171.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.66 66.32 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.515 0.726 . . . . 20.0 112.543 170.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t -69.83 -34.38 73.57 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.742 0.701 . . . . 20.0 111.776 173.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 57.0 m -69.41 -8.74 49.32 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.24 1.016 . . . . 20.0 113.504 169.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 100.77 -113.39 4.68 Favored Glycine 0 C--N 1.341 0.824 0 C-N-CA 125.431 1.491 . . . . 20.0 110.865 174.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -133.5 145.38 50.12 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 126.315 1.846 . . . . 20.0 110.071 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.02 1.66 56.62 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 124.917 1.246 . . . . 20.0 114.919 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -131.82 159.87 37.29 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 125.093 1.357 . . . . 20.0 110.415 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -137.93 169.27 18.08 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.351 1.86 . . . . 20.0 111.501 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 47.3 t -114.62 119.97 38.56 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.039 1.335 . . . . 20.0 108.639 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 17.4 t -81.02 153.2 27.54 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 122.63 0.372 . . . . 20.0 110.424 171.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.5 m -72.16 154.7 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 123.946 0.899 . . . . 20.0 110.453 173.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -67.6 -35.8 79.64 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.973 1.309 . . . . 20.0 112.22 177.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 tt -162.54 110.65 1.34 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.916 1.687 . . . . 20.0 107.688 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.5 t60 . . . . . 0 C--O 1.252 1.189 0 C-N-CA 124.772 1.229 . . . . 20.0 111.2 -178.649 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 113.24 0.83 . . . . 20.0 113.24 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.8 m -128.86 149.96 50.54 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.802 1.641 . . . . 20.0 109.352 -174.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 166.19 157.33 10.08 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 122.093 0.829 . . . . 20.0 113.323 172.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 25.2 p -116.88 172.32 7.32 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 128.105 2.562 . . . . 20.0 110.431 172.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt 63.9 9.89 4.85 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.743 2.017 . . . . 20.0 115.206 176.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.35 -52.81 0.03 OUTLIER Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.92 1.248 . . . . 20.0 111.505 174.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -73.31 -71.21 0.32 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.417 1.087 . . . . 20.0 111.571 -176.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -160.37 -0.67 0.07 OUTLIER Glycine 0 CA--C 1.532 1.141 0 CA-C-O 118.811 -0.994 . . . . 20.0 115.38 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.11 171.14 29.52 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-N 118.838 1.319 . . . . 20.0 112.396 179.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -143.36 171.04 14.66 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.279 1.432 . . . . 20.0 111.058 176.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.4 m -68.95 116.32 9.28 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.86 1.264 . . . . 20.0 109.638 167.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -115.1 158.53 40.74 Favored Pre-proline 0 CA--C 1.539 0.541 0 C-N-CA 125.648 1.579 . . . . 20.0 110.279 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.72 149.14 66.78 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.88 2.387 . . . . 20.0 109.985 174.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.42 -30.07 70.96 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.337 1.455 . . . . 20.0 112.162 -175.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -60.72 -19.59 59.18 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.714 1.606 . . . . 20.0 114.161 172.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.05 126.53 30.18 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 119.206 0.912 . . . . 20.0 109.355 173.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -83.51 97.04 8.8 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 108.265 -1.013 . . . . 20.0 108.265 166.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.7 t -140.25 -83.73 0.23 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.357 1.463 . . . . 20.0 108.571 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -150.77 167.19 28.16 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.446 1.499 . . . . 20.0 109.156 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -154.63 145.44 22.48 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.604 1.161 . . . . 20.0 109.341 171.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.0 mt -132.09 -179.59 5.51 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.972 1.709 . . . . 20.0 109.953 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -116.4 -35.53 4.26 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.835 1.254 . . . . 20.0 111.994 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.07 -27.41 28.3 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.354 1.062 . . . . 20.0 112.454 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -109.5 -15.47 14.2 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.658 0.783 . . . . 20.0 112.951 -170.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 84.9 p -67.42 -29.13 68.54 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.481 0.582 . . . . 20.0 111.687 167.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.94 -21.34 65.11 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.51 1.524 . . . . 20.0 112.879 175.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.9 t -67.64 -38.52 83.97 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 123.931 0.892 . . . . 20.0 111.053 173.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 83.3 m -77.88 -16.66 58.08 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.909 1.284 . . . . 20.0 112.977 173.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.94 -125.35 8.44 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.635 1.588 . . . . 20.0 111.319 175.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -123.46 107.92 12.11 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.622 1.569 . . . . 20.0 109.536 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 125.86 -8.82 7.64 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 125.373 1.463 . . . . 20.0 114.134 176.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -139.87 166.34 24.88 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.552 1.541 . . . . 20.0 110.222 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.88 169.84 16.82 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.84 1.256 . . . . 20.0 112.278 -174.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 24.5 t -79.43 138.29 37.55 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.499 1.12 . . . . 20.0 109.72 175.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.7 t -132.61 136.67 46.67 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.693 1.597 . . . . 20.0 109.365 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.0 m -70.38 170.81 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 125.611 1.564 . . . . 20.0 112.411 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 63.8 p-90 -114.05 -17.42 11.95 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.205 1.802 . . . . 20.0 112.259 176.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.9 mt -63.06 144.13 57.17 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.19 0.996 . . . . 20.0 110.245 170.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 39.2 m80 . . . . . 0 C--O 1.242 0.692 0 C-N-CA 124.765 1.226 . . . . 20.0 110.525 178.218 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 pp . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 113.407 0.891 . . . . 20.0 113.407 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.9 t -125.5 171.71 10.28 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.135 1.374 . . . . 20.0 111.369 -175.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.0 142.96 13.67 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 126.266 1.889 . . . . 20.0 111.343 -176.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 72.3 m -62.95 -51.14 68.04 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.068 0.947 . . . . 20.0 109.854 171.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -26.51 65.97 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.734 1.214 . . . . 20.0 113.052 175.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.2 -7.58 60.29 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 125.697 1.617 . . . . 20.0 114.389 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -128.06 -38.65 1.8 Allowed 'General case' 0 C--N 1.344 0.331 0 C-N-CA 125.14 1.376 . . . . 20.0 112.141 176.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 142.95 -0.06 1.31 Allowed Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.778 1.18 . . . . 20.0 114.778 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.48 -177.35 48.44 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.965 1.269 . . . . 20.0 111.752 174.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -134.91 146.33 49.07 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 124.091 0.957 . . . . 20.0 111.004 173.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.3 m -71.28 139.13 49.87 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.427 1.091 . . . . 20.0 109.878 167.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -143.34 163.55 36.45 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 127.586 2.354 . . . . 20.0 109.615 -177.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.44 162.45 41.86 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.329 2.019 . . . . 20.0 111.324 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -61.16 -34.73 75.48 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.893 1.277 . . . . 20.0 110.74 173.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -80.1 54.32 1.91 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.769 2.428 . . . . 20.0 111.508 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -135.21 157.6 46.51 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 124.553 1.141 . . . . 20.0 112.227 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -84.31 8.88 14.58 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.848 1.659 . . . . 20.0 114.591 175.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 25.5 m -69.59 160.36 31.68 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.117 0.967 . . . . 20.0 111.904 171.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -83.39 100.89 10.98 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.868 1.667 . . . . 20.0 108.84 174.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -66.12 119.22 11.05 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.778 1.631 . . . . 20.0 111.036 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 86.6 mt -76.15 179.69 5.53 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.531 1.532 . . . . 20.0 111.625 173.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -116.91 -40.6 3.12 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.263 1.025 . . . . 20.0 112.236 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.51 -40.4 21.08 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.421 1.088 . . . . 20.0 111.409 177.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -96.23 -14.69 22.5 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.978 0.733 . . . . 20.0 112.978 -168.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.3 m -67.96 -40.75 83.13 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.551 0.74 . . . . 20.0 111.129 173.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.99 -16.58 64.11 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.023 0.929 . . . . 20.0 113.151 173.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.3 t -69.0 -36.17 77.51 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.924 0.89 . . . . 20.0 112.425 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 73.8 m -66.01 -40.06 90.78 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 124.254 1.022 . . . . 20.0 111.724 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.16 -174.64 19.51 Favored Glycine 0 C--O 1.224 -0.528 0 C-N-CA 125.814 1.673 . . . . 20.0 112.961 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -66.49 127.67 33.21 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.878 1.671 . . . . 20.0 110.357 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.35 5.55 87.02 Favored Glycine 0 CA--C 1.534 1.279 0 CA-C-O 118.462 -1.188 . . . . 20.0 115.09 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -137.96 156.04 48.27 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.828 1.651 . . . . 20.0 110.363 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.54 179.91 6.54 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.542 1.537 . . . . 20.0 111.17 -174.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.5 t -112.92 168.91 9.3 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.201 1.0 . . . . 20.0 112.246 -174.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 35.8 t -137.01 141.36 42.51 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.741 1.616 . . . . 20.0 110.695 -176.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.2 m -70.42 171.79 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 126.078 1.751 . . . . 20.0 112.504 176.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 2.1 p90 -118.77 -17.66 9.13 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.578 1.951 . . . . 20.0 112.573 -178.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.4 mt -72.27 102.61 3.14 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 124.191 0.996 . . . . 20.0 109.892 174.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 55.9 m170 . . . . . 0 C--O 1.259 1.554 0 C-N-CA 125.639 1.576 . . . . 20.0 110.865 175.781 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.0 tp . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 120.828 0.347 . . . . 20.0 110.681 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.4 t -127.1 153.7 45.66 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.395 1.478 . . . . 20.0 109.623 166.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.06 -62.16 0.17 Allowed Glycine 0 CA--C 1.525 0.67 0 CA-C-O 118.927 -0.929 . . . . 20.0 112.255 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.6 t -57.5 -77.1 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.787 1.235 . . . . 20.0 110.86 -174.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -68.93 -15.05 63.39 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.724 1.61 . . . . 20.0 112.607 171.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.93 -11.0 49.29 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.046 1.307 . . . . 20.0 114.322 173.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -126.07 -56.82 1.43 Allowed 'General case' 0 C--N 1.345 0.407 0 C-N-CA 125.138 1.375 . . . . 20.0 111.096 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.33 9.22 0.03 OUTLIER Glycine 0 CA--C 1.533 1.218 0 CA-C-O 118.692 -1.06 . . . . 20.0 115.576 -173.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.34 174.31 41.63 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-N 118.68 1.24 . . . . 20.0 113.026 -177.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -136.94 145.6 44.44 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 125.108 1.363 . . . . 20.0 110.295 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 98.5 m -85.07 81.77 8.73 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.245 1.418 . . . . 20.0 109.304 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -75.16 158.25 84.28 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 125.556 1.543 . . . . 20.0 110.04 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -68.6 160.32 49.86 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.359 2.039 . . . . 20.0 110.941 177.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.29 -32.53 73.27 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.789 1.236 . . . . 20.0 111.584 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.1 -17.56 63.54 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.445 1.898 . . . . 20.0 113.755 175.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -68.46 123.86 21.97 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 124.427 1.091 . . . . 20.0 111.429 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -78.64 81.22 4.97 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.615 1.166 . . . . 20.0 110.361 173.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.0 p -150.18 -175.48 5.08 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.281 2.232 . . . . 20.0 109.096 167.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -59.49 155.05 15.89 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.872 0.869 . . . . 20.0 110.878 176.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -144.31 112.52 6.41 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.696 1.598 . . . . 20.0 109.131 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -72.61 174.4 7.59 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.981 1.712 . . . . 20.0 109.981 172.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -118.94 -48.3 2.46 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.026 0.93 . . . . 20.0 111.785 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.62 -38.2 26.37 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.466 0.706 . . . . 20.0 111.158 175.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -79.44 -23.81 42.87 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.628 0.771 . . . . 20.0 112.447 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.5 t -65.38 -30.94 71.81 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.749 1.22 . . . . 20.0 112.131 174.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.64 -15.6 63.57 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.245 0.832 . . . . 20.0 113.245 175.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.2 m -66.63 -31.84 72.78 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.75 0.82 . . . . 20.0 111.427 173.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 97.6 m -76.06 -9.89 58.98 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.46 1.504 . . . . 20.0 113.598 173.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.36 -115.52 4.73 Favored Glycine 0 C--N 1.339 0.73 0 C-N-CA 125.467 1.508 . . . . 20.0 110.523 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -131.47 158.37 41.03 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.865 1.666 . . . . 20.0 111.369 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.14 -16.98 6.54 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.587 1.565 . . . . 20.0 114.695 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -129.18 164.26 23.79 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.384 1.874 . . . . 20.0 109.405 177.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.66 165.22 29.38 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.521 1.529 . . . . 20.0 111.508 -178.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 36.8 t -74.08 145.46 44.4 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.544 0.738 . . . . 20.0 110.393 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 52.7 t -145.29 152.01 39.24 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.353 1.461 . . . . 20.0 110.135 -177.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.1 m -68.19 174.96 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 126.009 1.724 . . . . 20.0 112.174 177.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -122.91 -23.97 4.89 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.275 1.83 . . . . 20.0 112.44 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -127.91 -69.79 0.72 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.066 1.347 . . . . 20.0 111.237 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 15.5 m170 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 117.316 -1.326 . . . . 20.0 110.902 -172.622 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 112.704 0.631 . . . . 20.0 112.704 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.6 p -81.13 173.97 12.03 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.875 1.27 . . . . 20.0 112.072 -178.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -133.91 -114.88 1.52 Allowed Glycine 0 CA--C 1.532 1.096 0 C-N-CA 125.253 1.406 . . . . 20.0 110.501 177.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 90.4 m -132.29 167.29 20.11 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.181 1.393 . . . . 20.0 110.912 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -127.98 -21.35 3.67 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.717 1.607 . . . . 20.0 112.95 -172.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.19 -20.25 7.16 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.093 1.33 . . . . 20.0 114.885 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -71.2 -47.94 54.47 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 118.654 1.227 . . . . 20.0 111.508 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -141.15 8.44 2.68 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 125.27 1.414 . . . . 20.0 114.269 -174.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.03 174.37 40.62 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 118.259 1.029 . . . . 20.0 112.244 173.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -134.21 139.71 45.99 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.914 0.886 . . . . 20.0 111.799 -175.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.03 144.28 36.77 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.214 -1.357 . . . . 20.0 109.367 164.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -144.43 165.11 24.79 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 126.574 1.95 . . . . 20.0 109.841 -175.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.91 165.14 33.23 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 122.488 2.125 . . . . 20.0 110.708 171.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.5 mt -64.54 -32.36 73.98 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.711 1.205 . . . . 20.0 111.101 172.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -66.44 -12.77 58.95 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.131 1.772 . . . . 20.0 113.958 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.1 tpt85 -65.94 132.72 49.29 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.594 1.158 . . . . 20.0 110.055 175.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -73.29 79.37 1.33 Allowed 'General case' 0 C--N 1.344 0.329 0 C-N-CA 124.902 1.281 . . . . 20.0 109.819 170.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.9 t -159.8 174.94 13.73 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.255 1.422 . . . . 20.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -67.22 176.67 2.11 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.435 1.894 . . . . 20.0 112.153 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -140.1 157.79 45.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.277 1.831 . . . . 20.0 109.76 176.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.6 mt -133.21 -179.7 5.66 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.306 1.842 . . . . 20.0 110.141 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -120.3 -37.59 3.03 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.84 1.256 . . . . 20.0 112.292 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.63 -44.54 23.64 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.014 0.926 . . . . 20.0 111.062 173.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -88.69 -15.86 33.77 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.82 0.674 . . . . 20.0 112.82 -174.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.0 p -71.4 -23.99 61.97 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.771 0.714 . . . . 20.0 111.893 171.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.7 -24.75 58.81 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.252 1.021 . . . . 20.0 111.894 171.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.5 m -71.04 -28.75 64.61 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 124.19 0.996 . . . . 20.0 111.846 174.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.7 m -65.85 -60.17 3.13 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.692 0.797 . . . . 20.0 109.346 161.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.92 -98.68 0.33 Allowed Glycine 0 C--N 1.344 0.974 0 C-N-CA 125.797 1.665 . . . . 20.0 110.024 -176.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.8 158.2 43.85 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 127.61 2.364 . . . . 20.0 111.325 -176.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.34 10.37 47.77 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.806 1.193 . . . . 20.0 114.217 -176.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -145.83 172.84 12.73 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.003 1.721 . . . . 20.0 110.741 -166.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -154.29 159.53 41.29 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.07 1.748 . . . . 20.0 110.628 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.0 t -75.18 166.76 23.14 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 122.194 -0.316 . . . . 20.0 110.33 169.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 38.7 t -140.82 140.44 34.68 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.952 1.301 . . . . 20.0 110.095 176.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.5 m -65.72 158.78 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 125.177 1.391 . . . . 20.0 111.236 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -84.46 -26.11 28.45 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.847 1.259 . . . . 20.0 111.957 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.1 pp -76.43 168.15 20.58 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.764 1.225 . . . . 20.0 111.97 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.9 p80 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 116.904 -1.522 . . . . 20.0 111.905 178.52 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.4 tp . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 119.315 -0.374 . . . . 20.0 110.118 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.1 p -144.71 157.14 44.31 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.333 1.853 . . . . 20.0 110.008 -178.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -119.0 -34.85 1.0 Allowed Glycine 0 CA--C 1.53 1.0 0 C-N-CA 125.198 1.38 . . . . 20.0 112.009 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.9 m -91.77 173.2 7.99 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.962 1.705 . . . . 20.0 110.597 171.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -135.98 -18.08 1.6 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.518 1.927 . . . . 20.0 112.996 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.1 -13.02 67.38 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-O 118.629 -1.095 . . . . 20.0 114.624 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.69 -57.65 2.14 Favored 'General case' 0 C--N 1.344 0.326 0 C-N-CA 125.462 1.505 . . . . 20.0 109.669 175.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.62 0.33 43.78 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.389 0.995 . . . . 20.0 113.956 176.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -138.98 139.67 10.34 Favored Glycine 0 C--N 1.34 0.774 0 C-N-CA 125.783 1.658 . . . . 20.0 111.189 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -139.77 175.36 9.64 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.72 2.008 . . . . 20.0 110.432 174.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.7 m -62.54 105.85 0.69 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.187 0.995 . . . . 20.0 109.576 165.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -129.31 158.9 71.7 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 126.237 1.815 . . . . 20.0 109.985 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -70.88 156.93 59.52 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 122.569 2.18 . . . . 20.0 111.668 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.3 -32.87 72.72 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.928 1.691 . . . . 20.0 112.202 172.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -81.3 50.36 1.43 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.964 1.706 . . . . 20.0 111.843 174.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.9 tpp85 -131.38 151.68 51.31 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.336 1.454 . . . . 20.0 110.909 174.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -74.24 68.89 1.52 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.749 2.02 . . . . 20.0 112.853 176.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.4 t -154.72 171.72 19.09 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.423 -0.798 . . . . 20.0 112.44 173.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -70.54 165.98 21.55 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.002 1.721 . . . . 20.0 112.264 -177.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -134.96 114.41 12.47 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.586 1.954 . . . . 20.0 110.283 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.1 mt -80.0 177.64 8.79 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.424 1.489 . . . . 20.0 111.412 166.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -111.95 -46.95 3.17 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.553 1.541 . . . . 20.0 111.561 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.83 -43.45 71.96 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.906 0.883 . . . . 20.0 111.074 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -84.66 -6.95 59.39 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.829 0.852 . . . . 20.0 113.271 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.1 t -59.38 -32.09 69.82 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.402 1.001 . . . . 20.0 112.067 174.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.77 -10.67 57.95 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.168 1.387 . . . . 20.0 114.217 176.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.6 t -62.41 -50.54 71.11 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 125.171 1.388 . . . . 20.0 112.818 -170.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.3 -4.67 45.15 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.986 0.736 . . . . 20.0 112.986 174.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.15 -119.74 3.04 Favored Glycine 0 C--N 1.34 0.785 0 C-N-CA 125.482 1.515 . . . . 20.0 112.363 169.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -131.64 29.13 4.54 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.874 2.07 . . . . 20.0 112.256 -171.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -150.09 15.16 1.01 Allowed Glycine 0 CA--C 1.536 1.347 0 C-N-CA 127.266 2.365 . . . . 20.0 112.767 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.86 -177.77 4.24 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.414 1.486 . . . . 20.0 112.657 -175.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -153.98 145.72 23.37 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.663 1.185 . . . . 20.0 110.161 169.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.1 t -86.23 101.31 12.92 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.202 0.601 . . . . 20.0 110.422 -178.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 50.5 t -72.27 150.71 43.36 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.53 1.532 . . . . 20.0 111.144 177.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.1 m -126.2 -172.97 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 126.154 1.782 . . . . 20.0 109.691 176.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -56.11 -50.61 70.59 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.533 1.133 . . . . 20.0 112.917 -176.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 mp -117.14 140.76 49.11 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.251 1.82 . . . . 20.0 109.534 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.5 p80 . . . . . 0 C--O 1.254 1.296 0 CA-C-O 116.586 -1.674 . . . . 20.0 113.329 -176.649 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 113.308 0.855 . . . . 20.0 113.308 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.8 t -124.16 163.25 21.92 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.66 1.184 . . . . 20.0 111.37 178.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.15 -83.08 0.07 OUTLIER Glycine 0 C--N 1.34 0.762 0 C-N-CA 124.553 1.073 . . . . 20.0 110.791 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 87.2 m -63.03 -44.94 94.55 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.128 0.971 . . . . 20.0 112.613 -175.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -63.17 -20.92 65.85 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.108 0.963 . . . . 20.0 113.225 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.4 -20.49 67.67 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.309 0.957 . . . . 20.0 113.998 -178.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.02 -0.03 3.41 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.593 1.557 . . . . 20.0 112.408 174.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.99 -44.35 1.47 Allowed Glycine 0 CA--C 1.537 1.433 0 C-N-CA 126.217 1.865 . . . . 20.0 111.969 174.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.65 171.05 29.8 Favored Glycine 0 C--N 1.347 1.161 0 C-N-CA 124.456 1.026 . . . . 20.0 113.46 177.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -140.85 135.11 31.04 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 124.353 1.061 . . . . 20.0 109.74 174.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.8 m -81.47 110.72 17.14 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.173 0.989 . . . . 20.0 108.962 171.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -102.16 156.7 34.91 Favored Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 125.366 1.466 . . . . 20.0 110.042 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -72.36 148.99 49.96 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.907 2.405 . . . . 20.0 110.006 173.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.59 -28.84 70.16 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.347 1.459 . . . . 20.0 111.932 -177.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -56.93 -27.21 60.69 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.439 1.496 . . . . 20.0 113.348 172.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -75.37 128.7 35.96 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.985 1.314 . . . . 20.0 110.674 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -83.44 105.52 14.45 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.483 1.113 . . . . 20.0 110.31 174.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.9 p -145.62 178.08 8.41 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.036 1.335 . . . . 20.0 110.698 169.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -72.18 92.54 1.36 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.417 1.087 . . . . 20.0 109.597 172.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -69.83 129.26 39.07 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.153 0.981 . . . . 20.0 110.718 178.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -72.3 -179.72 3.02 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.826 2.05 . . . . 20.0 110.762 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -119.42 -37.7 3.12 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.003 0.742 . . . . 20.0 113.003 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -103.79 -30.64 10.26 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.531 1.133 . . . . 20.0 111.546 176.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -88.96 -17.12 30.13 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.501 1.12 . . . . 20.0 111.917 177.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.6 t -67.55 -38.97 84.94 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.458 0.703 . . . . 20.0 110.81 169.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.01 -11.3 60.7 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.804 1.241 . . . . 20.0 113.671 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t -64.76 -48.13 75.66 Favored 'General case' 0 C--N 1.345 0.403 0 C-N-CA 124.88 1.272 . . . . 20.0 113.187 -171.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.76 -8.47 56.92 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.872 1.064 . . . . 20.0 113.872 -177.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.91 171.51 43.45 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 125.24 1.4 . . . . 20.0 112.224 -176.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -62.62 120.46 11.22 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.198 1.399 . . . . 20.0 109.968 -176.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.0 -12.97 8.55 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.655 1.598 . . . . 20.0 113.717 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -139.49 170.84 15.19 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.372 1.469 . . . . 20.0 110.414 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.58 174.28 13.15 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.519 1.528 . . . . 20.0 111.057 177.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.8 t -103.29 164.33 11.7 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.677 0.791 . . . . 20.0 110.533 172.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 93.9 m -121.65 -173.81 2.72 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.518 1.927 . . . . 20.0 110.305 175.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.8 m -48.17 133.62 5.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 124.088 0.955 . . . . 20.0 111.476 174.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -67.84 -24.22 65.24 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.923 1.289 . . . . 20.0 112.882 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 pp -71.75 169.37 15.81 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.5 1.52 . . . . 20.0 111.414 173.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 77.2 t60 . . . . . 0 C--O 1.251 1.159 0 C-N-CA 124.616 1.166 . . . . 20.0 110.403 178.88 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 tt . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 121.371 0.605 . . . . 20.0 109.439 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.3 m -76.29 143.04 41.13 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.195 1.398 . . . . 20.0 110.449 -177.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.51 161.01 17.86 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 126.494 1.997 . . . . 20.0 112.519 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 74.1 m -134.32 176.97 8.13 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.644 1.978 . . . . 20.0 110.616 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.7 mtmm -131.74 -19.47 2.64 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.021 1.119 . . . . 20.0 114.021 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.76 0.92 86.2 Favored Glycine 0 CA--C 1.533 1.164 0 CA-C-O 118.385 -1.231 . . . . 20.0 115.359 175.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -103.86 -59.6 1.7 Allowed 'General case' 0 C--N 1.344 0.365 0 C-N-CA 125.229 1.411 . . . . 20.0 109.742 176.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.49 -7.63 83.06 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.678 1.132 . . . . 20.0 114.187 -178.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -141.14 172.41 23.77 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 125.374 1.464 . . . . 20.0 111.641 175.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -139.44 170.0 16.72 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.713 1.205 . . . . 20.0 111.837 -172.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.8 m -78.22 78.42 4.69 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.824 1.65 . . . . 20.0 110.113 172.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -77.26 158.05 79.97 Favored Pre-proline 0 CA--C 1.538 0.513 0 C-N-CA 125.256 1.422 . . . . 20.0 111.381 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.71 154.15 71.85 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 122.937 2.425 . . . . 20.0 110.561 176.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.5 mt -63.62 -33.06 74.78 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 125.353 1.461 . . . . 20.0 112.283 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -62.16 -16.05 50.21 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.629 1.971 . . . . 20.0 113.495 175.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.1 tpt85 -68.66 129.42 39.88 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 124.676 1.19 . . . . 20.0 109.083 170.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -73.5 94.85 2.17 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 108.735 -0.839 . . . . 20.0 108.735 171.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.4 t -160.5 176.26 11.82 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.325 1.45 . . . . 20.0 110.234 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.48 160.97 12.61 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.213 1.405 . . . . 20.0 110.807 174.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -138.48 111.16 7.62 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 125.552 1.541 . . . . 20.0 108.646 171.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.16 174.62 6.12 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.157 1.783 . . . . 20.0 109.56 170.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -117.21 -25.17 7.19 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.827 1.047 . . . . 20.0 113.827 -176.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.94 -20.24 7.58 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.896 1.278 . . . . 20.0 112.764 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -91.34 -20.49 21.8 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.114 0.966 . . . . 20.0 111.347 171.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.4 m -76.52 -24.47 53.69 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.556 0.742 . . . . 20.0 111.632 167.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.97 -26.25 63.07 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.841 0.856 . . . . 20.0 111.723 173.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.0 t -68.72 -30.71 69.4 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.802 1.241 . . . . 20.0 111.756 173.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.0 m -76.06 -9.7 58.83 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.988 1.315 . . . . 20.0 113.562 172.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.28 -114.15 4.8 Favored Glycine 0 C--N 1.339 0.706 0 C-N-CA 125.586 1.565 . . . . 20.0 110.343 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -137.56 153.09 50.02 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.647 1.979 . . . . 20.0 111.06 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.64 -3.47 63.71 Favored Glycine 0 CA--C 1.536 1.39 0 CA-C-O 118.675 -1.069 . . . . 20.0 114.621 -177.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -133.15 172.03 13.21 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.773 1.629 . . . . 20.0 110.22 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.13 165.13 30.9 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.33 1.452 . . . . 20.0 111.292 176.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 45.0 t -77.83 135.28 37.92 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.495 -0.928 . . . . 20.0 108.495 165.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 11.6 t -120.48 132.35 55.16 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.373 1.469 . . . . 20.0 109.488 178.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.0 m -65.07 144.67 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 125.01 1.324 . . . . 20.0 110.953 176.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 3.5 p90 -78.87 -16.78 56.62 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.001 1.32 . . . . 20.0 112.539 171.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.3 mt -74.62 157.29 35.65 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.259 1.024 . . . . 20.0 110.849 174.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 76.1 m80 . . . . . 0 CA--C 1.533 0.32 0 C-N-CA 125.104 1.361 . . . . 20.0 110.94 176.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.3 tp . . . . . 0 N--CA 1.472 0.663 0 CA-C-O 120.952 0.406 . . . . 20.0 110.292 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 t -72.17 159.03 34.8 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.095 1.358 . . . . 20.0 111.525 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.12 2.22 71.36 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.318 1.437 . . . . 20.0 113.786 172.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.0 m -120.08 -179.76 4.03 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.059 1.744 . . . . 20.0 111.216 -171.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -70.44 -29.29 65.84 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.24 1.016 . . . . 20.0 113.092 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.17 -26.77 5.36 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 126.494 1.997 . . . . 20.0 114.151 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -67.48 -30.47 70.18 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.178 1.391 . . . . 20.0 113.45 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -154.46 -28.8 0.03 OUTLIER Glycine 0 CA--C 1.529 0.952 0 CA-C-O 119.053 -0.859 . . . . 20.0 113.659 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.66 139.68 14.7 Favored Glycine 0 CA--C 1.529 0.907 0 N-CA-C 109.842 -1.303 . . . . 20.0 109.842 171.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -137.08 164.35 28.62 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.25 1.42 . . . . 20.0 110.718 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.4 t -80.73 112.26 17.94 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.338 1.055 . . . . 20.0 109.802 -176.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.09 161.12 34.37 Favored Pre-proline 0 CA--C 1.54 0.583 0 C-N-CA 125.861 1.665 . . . . 20.0 110.13 -175.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -69.45 156.22 64.77 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 122.603 2.202 . . . . 20.0 111.041 170.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.2 mt -63.46 -28.59 70.07 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.169 1.388 . . . . 20.0 111.926 178.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -56.38 -30.86 63.23 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.791 1.637 . . . . 20.0 112.888 175.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -76.72 134.12 39.3 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 124.924 1.289 . . . . 20.0 110.292 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -101.15 105.62 16.79 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.935 1.294 . . . . 20.0 110.896 -178.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.9 t -146.08 -76.94 0.19 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.502 1.521 . . . . 20.0 109.3 173.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -151.84 162.55 40.86 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.273 1.829 . . . . 20.0 108.358 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -141.96 96.68 3.01 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.56 1.144 . . . . 20.0 108.946 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.86 172.4 2.28 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.922 1.689 . . . . 20.0 111.101 175.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -106.1 -45.44 4.33 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.41 1.084 . . . . 20.0 112.013 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.26 -36.44 17.92 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.642 0.777 . . . . 20.0 111.561 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -84.43 -27.67 27.41 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.259 0.624 . . . . 20.0 112.096 -174.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.6 m -73.41 -27.24 61.34 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 118.536 0.607 . . . . 20.0 111.383 169.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.47 -26.18 58.0 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.769 0.828 . . . . 20.0 112.276 172.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -71.69 -35.5 70.28 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.439 1.096 . . . . 20.0 110.985 170.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.4 m -67.41 -18.68 65.2 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.364 1.466 . . . . 20.0 112.616 166.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.24 167.35 41.37 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.829 1.681 . . . . 20.0 113.032 -177.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.6 ptmm? -66.5 112.07 3.91 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.862 1.265 . . . . 20.0 111.139 176.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.28 -13.01 7.07 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.234 1.397 . . . . 20.0 113.403 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -134.77 170.81 15.28 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.08 1.752 . . . . 20.0 109.611 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.48 -179.85 7.15 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.497 1.519 . . . . 20.0 111.376 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.8 t -122.39 142.62 50.33 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.903 0.881 . . . . 20.0 110.554 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 28.4 t -100.08 154.36 18.48 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 126.049 1.74 . . . . 20.0 110.219 175.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.7 m -59.34 144.12 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 C-N-CA 124.719 1.208 . . . . 20.0 111.23 172.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 4.6 p90 -73.64 -15.33 61.26 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.713 1.205 . . . . 20.0 112.79 171.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.4 tt -81.52 125.17 30.17 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.246 1.418 . . . . 20.0 109.487 176.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.8 p80 . . . . . 0 C--O 1.253 1.255 0 C-N-CA 125.623 1.569 . . . . 20.0 110.763 174.66 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tt . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 109.607 -0.516 . . . . 20.0 109.607 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.5 p -68.23 109.34 3.54 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 125.175 1.39 . . . . 20.0 110.267 177.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -125.65 -84.69 0.56 Allowed Glycine 0 C--N 1.338 0.687 0 C-N-CA 125.157 1.361 . . . . 20.0 110.902 -175.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.9 m -139.46 -176.51 4.57 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.966 1.306 . . . . 20.0 110.917 -178.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -112.57 -45.49 3.23 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.389 1.476 . . . . 20.0 111.199 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.63 -66.83 0.45 Allowed Glycine 0 C--N 1.341 0.85 0 C-N-CA 124.942 1.258 . . . . 20.0 110.055 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -81.9 -33.87 30.24 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.823 1.249 . . . . 20.0 113.077 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.04 -14.52 61.41 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 124.663 1.125 . . . . 20.0 114.363 -176.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.42 -174.28 13.52 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 126.767 2.127 . . . . 20.0 110.363 173.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -139.06 161.06 38.32 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 123.856 0.863 . . . . 20.0 111.625 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.2 m -76.0 94.18 3.37 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.936 1.695 . . . . 20.0 109.74 172.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -85.12 158.09 58.78 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 124.911 1.284 . . . . 20.0 110.3 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.1 153.26 67.53 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.773 2.316 . . . . 20.0 110.027 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.9 mt -65.94 -32.05 73.32 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.99 0.916 . . . . 20.0 112.021 -178.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -62.5 -14.61 43.46 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.747 1.619 . . . . 20.0 114.13 173.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -65.96 134.5 53.08 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 124.338 1.055 . . . . 20.0 110.413 175.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -75.84 71.89 2.7 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.281 1.433 . . . . 20.0 109.981 171.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.5 t -149.17 174.98 11.77 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.468 1.507 . . . . 20.0 110.376 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -66.25 159.04 27.4 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.894 1.278 . . . . 20.0 111.413 -176.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -140.08 112.26 7.68 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 126.074 1.75 . . . . 20.0 108.917 175.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.85 -170.69 0.93 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.472 1.909 . . . . 20.0 111.012 175.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -123.94 -27.78 3.87 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 114.336 1.236 . . . . 20.0 114.336 -174.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.74 -25.58 5.88 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.129 1.371 . . . . 20.0 111.525 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -89.31 -24.86 21.92 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.81 1.244 . . . . 20.0 111.491 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.1 p -67.04 -37.6 84.38 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.229 0.612 . . . . 20.0 111.182 167.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.96 -19.99 63.34 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.794 1.238 . . . . 20.0 112.961 177.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.6 t -63.45 -34.68 78.29 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.215 1.006 . . . . 20.0 111.558 174.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 69.9 m -76.75 -12.07 59.93 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.417 1.487 . . . . 20.0 114.169 174.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.26 173.53 46.19 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.451 1.5 . . . . 20.0 112.335 -177.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.04 102.43 6.48 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.709 1.204 . . . . 20.0 109.22 -177.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 140.29 -9.53 2.97 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.424 1.488 . . . . 20.0 113.549 -178.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -141.82 171.25 14.32 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.98 1.712 . . . . 20.0 110.294 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.0 170.6 16.78 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.216 1.406 . . . . 20.0 111.334 177.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.9 t -91.75 116.47 28.92 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 109.976 -0.379 . . . . 20.0 109.976 172.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 38.2 t -85.18 141.62 30.04 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.374 1.07 . . . . 20.0 109.931 168.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.8 m -69.93 173.6 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 125.009 1.324 . . . . 20.0 111.819 174.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -123.91 -17.5 6.28 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.463 1.905 . . . . 20.0 112.643 -176.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.6 mt -133.78 109.26 9.0 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.241 1.817 . . . . 20.0 108.366 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.7 t60 . . . . . 0 C--O 1.253 1.275 0 C-N-CA 125.383 1.473 . . . . 20.0 110.678 -175.619 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 113.216 0.821 . . . . 20.0 113.216 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.6 t -146.25 167.04 24.49 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.212 1.405 . . . . 20.0 111.133 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 141.58 107.0 0.64 Allowed Glycine 0 C--N 1.341 0.857 0 C-N-CA 126.005 1.764 . . . . 20.0 110.036 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.9 -22.24 59.12 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.787 1.235 . . . . 20.0 112.865 177.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -57.52 -28.73 63.74 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.053 1.741 . . . . 20.0 114.612 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.94 -7.88 0.08 OUTLIER Glycine 0 CA--C 1.536 1.349 0 CA-C-O 118.658 -1.079 . . . . 20.0 115.548 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -20.57 60.96 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.023 1.411 . . . . 20.0 113.025 174.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.3 -32.2 3.29 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 125.92 1.724 . . . . 20.0 112.818 178.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.62 171.43 36.58 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 125.09 1.329 . . . . 20.0 113.338 -178.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -72.28 154.52 40.93 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 123.808 0.843 . . . . 20.0 110.667 173.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.5 m -111.84 105.43 13.89 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.7 1.2 . . . . 20.0 109.101 -177.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -131.68 157.28 78.61 Favored Pre-proline 0 CA--C 1.538 0.515 0 C-N-CA 126.934 2.094 . . . . 20.0 109.412 -174.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.34 157.33 62.27 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.376 2.05 . . . . 20.0 111.32 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -61.65 -33.29 73.71 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.162 1.385 . . . . 20.0 111.78 178.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -62.03 -17.2 56.54 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.868 1.667 . . . . 20.0 114.081 177.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -62.84 129.35 40.07 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.297 1.039 . . . . 20.0 110.299 178.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -88.26 79.43 7.82 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.211 1.004 . . . . 20.0 110.544 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.5 p -155.57 -178.61 7.41 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.842 1.657 . . . . 20.0 111.252 174.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -68.61 163.82 22.83 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.345 1.458 . . . . 20.0 110.719 177.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -154.76 -177.4 6.48 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.958 0.903 . . . . 20.0 112.063 177.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.9 mt -131.44 -176.68 4.11 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.386 1.874 . . . . 20.0 110.46 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -113.25 -40.32 3.94 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.671 1.188 . . . . 20.0 111.682 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.81 -40.59 32.51 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.798 0.839 . . . . 20.0 111.735 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -85.14 -21.39 29.27 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.032 0.933 . . . . 20.0 112.214 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.3 t -61.12 -43.48 98.82 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.38 0.672 . . . . 20.0 110.868 169.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.4 -20.77 64.7 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.558 1.143 . . . . 20.0 113.356 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.4 m -67.99 -34.27 76.21 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 123.683 0.793 . . . . 20.0 111.731 177.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 10.8 m -79.91 -8.11 59.13 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.963 1.305 . . . . 20.0 114.367 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.8 179.46 36.1 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 124.224 0.916 . . . . 20.0 113.342 175.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -62.03 114.6 3.49 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.878 2.071 . . . . 20.0 111.072 -173.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.15 7.53 60.84 Favored Glycine 0 CA--C 1.534 1.244 0 CA-C-O 118.764 -1.02 . . . . 20.0 114.739 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -116.29 165.99 12.55 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.449 1.5 . . . . 20.0 110.285 176.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -146.33 178.05 8.54 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.189 1.395 . . . . 20.0 111.454 176.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.9 t -84.89 164.51 18.34 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 122.415 0.286 . . . . 20.0 111.053 172.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 38.4 t -159.7 120.55 3.13 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 125.582 1.553 . . . . 20.0 109.929 172.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.3 m -73.95 -178.84 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 124.983 1.313 . . . . 20.0 111.047 175.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -132.32 -36.71 1.12 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.46 1.104 . . . . 20.0 113.275 -174.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -126.99 118.91 25.42 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.026 1.33 . . . . 20.0 109.091 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 61.4 m80 . . . . . 0 C--O 1.251 1.134 0 C-N-CA 127.238 2.215 . . . . 20.0 112.365 -176.188 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 118.812 -0.613 . . . . 20.0 112.653 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.1 m -71.56 -27.42 63.14 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.495 1.518 . . . . 20.0 112.661 -172.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -128.91 -17.53 1.84 Allowed Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.708 1.623 . . . . 20.0 114.936 -178.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.9 m -141.69 155.7 45.66 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.481 1.512 . . . . 20.0 109.904 173.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -72.1 -58.99 2.97 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.9 1.28 . . . . 20.0 111.134 -177.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.51 -20.62 0.23 Allowed Glycine 0 CA--C 1.531 1.05 0 CA-C-O 118.505 -1.164 . . . . 20.0 115.398 172.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -79.06 -13.63 59.64 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.063 1.432 . . . . 20.0 112.969 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 145.07 -14.76 1.91 Allowed Glycine 0 CA--C 1.535 1.332 0 C-N-CA 126.006 1.765 . . . . 20.0 113.641 175.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.47 176.02 35.17 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.299 1.428 . . . . 20.0 112.422 -173.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -74.88 118.64 18.06 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.537 0.735 . . . . 20.0 109.699 173.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 79.3 m -87.05 87.41 7.45 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.604 1.562 . . . . 20.0 110.357 -168.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -87.88 162.02 42.55 Favored Pre-proline 0 CA--C 1.541 0.609 0 C-N-CA 126.202 1.801 . . . . 20.0 110.356 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.47 155.24 69.77 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.53 2.153 . . . . 20.0 110.289 169.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.3 mt -62.68 -38.78 91.72 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.564 1.146 . . . . 20.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -79.93 64.34 4.75 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.615 1.566 . . . . 20.0 110.865 175.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -132.91 149.62 52.23 Favored 'General case' 0 C--N 1.341 0.239 0 C-N-CA 124.888 1.275 . . . . 20.0 111.396 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -72.69 20.69 0.07 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.462 2.305 . . . . 20.0 114.765 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.4 t -109.65 175.06 5.59 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.692 1.597 . . . . 20.0 111.659 -178.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -65.56 160.14 23.07 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.149 1.779 . . . . 20.0 110.606 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -140.2 113.96 8.79 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.885 1.674 . . . . 20.0 109.293 172.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.14 175.74 6.48 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.507 1.523 . . . . 20.0 111.064 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -116.84 -21.55 8.95 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.445 1.098 . . . . 20.0 113.936 -175.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.22 -15.6 12.7 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.3 1.44 . . . . 20.0 112.968 176.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -118.98 -6.07 10.51 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 125.353 1.461 . . . . 20.0 112.922 -174.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.8 p -65.95 -45.1 83.01 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.372 0.669 . . . . 20.0 110.691 166.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.51 -14.06 62.0 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.165 1.386 . . . . 20.0 113.69 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t -68.4 -32.74 73.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.972 0.909 . . . . 20.0 111.79 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 35.2 m -69.62 -35.88 75.66 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.213 1.005 . . . . 20.0 112.303 170.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 131.56 174.88 13.78 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 125.15 1.357 . . . . 20.0 112.166 177.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -71.63 107.26 4.39 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.032 1.333 . . . . 20.0 109.056 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.44 2.16 21.44 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.95 1.262 . . . . 20.0 114.387 -178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -134.13 169.67 16.82 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.962 1.381 . . . . 20.0 110.446 178.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.29 157.97 43.23 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.347 1.059 . . . . 20.0 112.148 175.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.1 t -75.53 151.94 37.87 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.36 1.064 . . . . 20.0 109.869 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 10.3 t -142.65 134.64 27.14 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.401 1.48 . . . . 20.0 110.592 -176.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.66 173.78 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 126.03 1.732 . . . . 20.0 112.263 173.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -120.11 -31.36 4.44 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.283 1.833 . . . . 20.0 111.297 170.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.7 tp -161.57 145.24 12.65 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.982 1.713 . . . . 20.0 108.747 177.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 69.1 t60 . . . . . 0 C--O 1.252 1.189 0 C-N-CA 124.776 1.23 . . . . 20.0 111.959 178.128 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 109.998 -0.371 . . . . 20.0 109.998 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.1 m -121.09 -26.68 5.08 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.354 1.462 . . . . 20.0 112.848 -169.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -66.14 -50.89 48.64 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 124.566 1.079 . . . . 20.0 113.707 -172.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 73.9 m -136.08 -179.91 5.95 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.071 1.748 . . . . 20.0 109.536 173.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -68.41 -19.22 64.59 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.646 -0.659 . . . . 20.0 112.464 174.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.68 -30.38 3.16 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 126.246 1.879 . . . . 20.0 113.289 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -86.37 -66.54 0.89 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.836 1.654 . . . . 20.0 110.001 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.34 -0.66 88.39 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 124.57 1.081 . . . . 20.0 114.365 -177.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.87 161.23 33.99 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-N 118.84 1.32 . . . . 20.0 110.792 175.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -131.91 151.09 51.93 Favored 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 124.638 1.175 . . . . 20.0 110.787 -177.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.6 t -84.14 105.05 14.7 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.512 1.525 . . . . 20.0 109.103 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -131.12 161.68 60.25 Favored Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 125.067 1.347 . . . . 20.0 111.356 -177.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.41 167.68 19.94 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.925 2.417 . . . . 20.0 112.036 173.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.4 -34.51 76.88 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.594 1.557 . . . . 20.0 111.235 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -82.21 63.17 6.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.561 1.544 . . . . 20.0 111.17 172.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -140.86 159.43 42.23 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.666 1.186 . . . . 20.0 111.768 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -81.44 52.63 1.9 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.898 1.679 . . . . 20.0 112.89 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.6 m -135.04 167.3 21.2 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.564 1.546 . . . . 20.0 110.244 167.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.69 173.56 2.76 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.473 1.909 . . . . 20.0 110.5 169.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -124.65 101.64 7.21 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.15 1.78 . . . . 20.0 108.593 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -64.96 -176.53 0.28 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.979 2.512 . . . . 20.0 111.633 174.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -123.02 -44.59 2.17 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.674 1.189 . . . . 20.0 111.868 174.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.48 -31.85 32.74 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.599 0.76 . . . . 20.0 113.015 -175.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -101.26 -25.32 14.03 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.253 1.421 . . . . 20.0 111.576 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.9 t -72.49 12.56 0.45 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.457 1.903 . . . . 20.0 112.543 167.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -118.68 1.84 11.65 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.434 1.894 . . . . 20.0 112.407 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.3 m -114.3 -18.41 11.59 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.797 1.239 . . . . 20.0 113.702 -169.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 9.6 m -77.71 -17.38 57.68 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.721 1.209 . . . . 20.0 113.987 177.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.17 -123.97 5.84 Favored Glycine 0 C--N 1.344 1.024 0 C-N-CA 124.723 1.154 . . . . 20.0 110.928 -174.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -130.46 155.02 47.15 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.718 1.607 . . . . 20.0 110.254 176.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.67 27.9 68.35 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.454 1.026 . . . . 20.0 113.51 -176.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -136.06 167.32 21.46 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.985 1.714 . . . . 20.0 112.657 -163.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -156.84 179.27 9.44 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.768 1.627 . . . . 20.0 110.613 164.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.1 t -135.18 159.24 42.15 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.495 1.118 . . . . 20.0 111.013 173.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 59.8 m -80.41 168.72 18.65 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.974 1.71 . . . . 20.0 112.007 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.7 m -73.78 171.14 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.412 1.085 . . . . 20.0 111.267 170.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -53.3 -54.14 40.71 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.171 1.788 . . . . 20.0 113.293 -174.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.1 mt -80.04 159.72 26.08 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.024 1.33 . . . . 20.0 110.78 175.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 117.437 -1.268 . . . . 20.0 109.861 173.049 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 113.873 1.064 . . . . 20.0 113.873 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.6 t -115.42 159.57 20.97 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.236 1.414 . . . . 20.0 112.601 -171.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.15 149.85 4.34 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.794 1.664 . . . . 20.0 112.343 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 70.7 m -56.06 -30.96 62.73 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.59 1.156 . . . . 20.0 113.069 177.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -54.23 -24.5 18.75 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.795 2.038 . . . . 20.0 114.838 174.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.31 29.25 3.9 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 126.322 1.915 . . . . 20.0 112.467 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.5 tttt 59.86 14.53 4.27 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.719 2.007 . . . . 20.0 114.386 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.36 15.99 2.44 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 126.625 2.059 . . . . 20.0 113.868 172.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.3 -170.63 36.37 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 125.826 1.679 . . . . 20.0 111.828 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -126.93 155.02 43.74 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 124.449 1.1 . . . . 20.0 111.893 175.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.1 m -105.38 131.97 52.15 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.907 1.683 . . . . 20.0 110.012 -174.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -136.17 163.7 48.28 Favored Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 126.226 1.81 . . . . 20.0 109.946 -169.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.55 161.43 43.55 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.473 2.115 . . . . 20.0 110.952 175.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.1 mt -63.8 -32.64 74.21 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.336 1.054 . . . . 20.0 111.113 175.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -62.46 -15.7 51.18 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.891 1.676 . . . . 20.0 114.164 175.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -70.28 144.48 51.76 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.091 0.859 . . . . 20.0 110.553 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -82.56 18.66 1.45 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.077 0.951 . . . . 20.0 113.234 172.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 m -64.03 168.73 4.98 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.547 -0.721 . . . . 20.0 110.945 160.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -66.95 172.47 4.43 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.438 1.095 . . . . 20.0 111.179 171.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -137.38 99.32 3.93 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.854 1.662 . . . . 20.0 108.96 176.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.55 178.19 1.71 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.073 1.749 . . . . 20.0 111.042 176.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -112.11 -19.59 12.24 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.859 1.059 . . . . 20.0 113.859 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -123.06 -17.76 6.59 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.901 1.28 . . . . 20.0 113.244 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -101.63 -16.66 16.65 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.66 1.184 . . . . 20.0 112.153 173.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.6 t -66.61 -50.7 62.15 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.97 0.805 . . . . 20.0 111.117 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.86 -20.39 64.27 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.773 0.829 . . . . 20.0 113.146 174.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 t -68.15 -27.34 66.35 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.29 1.036 . . . . 20.0 112.083 175.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 57.5 m -74.74 -11.55 60.19 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 114.11 1.152 . . . . 20.0 114.11 175.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.72 174.68 20.33 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 125.155 1.359 . . . . 20.0 112.82 174.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -66.39 112.46 4.05 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.865 1.666 . . . . 20.0 109.811 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.44 13.09 56.36 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-O 118.534 -1.148 . . . . 20.0 114.453 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -130.02 171.19 13.06 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.171 1.389 . . . . 20.0 111.446 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -147.39 166.95 25.64 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.139 1.776 . . . . 20.0 111.093 176.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 49.3 t -103.16 141.36 35.99 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.061 1.345 . . . . 20.0 110.067 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 73.5 m -77.99 178.37 7.54 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.475 1.11 . . . . 20.0 111.261 171.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.5 m -61.1 175.98 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 126.663 1.985 . . . . 20.0 113.352 176.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 61.6 p-90 -132.79 -9.78 3.1 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.508 1.523 . . . . 20.0 113.259 -176.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.0 tp -149.02 -37.91 0.16 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.329 0.968 . . . . 20.0 113.399 176.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 59.5 m80 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 117.471 -1.252 . . . . 20.0 110.202 -175.239 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 121.098 0.475 . . . . 20.0 110.999 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.4 m -80.87 130.81 35.24 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.434 1.494 . . . . 20.0 110.879 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -133.96 160.97 66.5 Favored Pre-proline 0 CA--C 1.54 0.58 0 C-N-CA 126.924 2.089 . . . . 20.0 110.495 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.14 157.56 59.1 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.782 2.322 . . . . 20.0 111.031 172.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.4 mt -66.4 -38.65 87.98 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.193 1.397 . . . . 20.0 110.961 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -84.6 63.35 7.86 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.104 1.362 . . . . 20.0 110.646 173.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -132.32 152.3 51.47 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 125.49 1.516 . . . . 20.0 110.68 176.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -87.44 73.69 9.5 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.067 0.947 . . . . 20.0 110.166 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.8 p -158.12 172.95 17.47 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.034 1.334 . . . . 20.0 110.878 168.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.87 169.21 0.78 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.636 1.974 . . . . 20.0 112.321 -174.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -152.59 149.79 28.85 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.61 0.764 . . . . 20.0 111.055 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.9 mt -134.03 175.02 9.86 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 126.496 1.918 . . . . 20.0 109.853 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -119.05 -33.49 4.15 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.958 1.303 . . . . 20.0 111.826 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.13 -30.84 39.1 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.384 1.074 . . . . 20.0 112.569 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -105.81 -12.35 15.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.148 0.979 . . . . 20.0 113.015 -176.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.2 p -65.49 -22.87 66.78 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.284 0.947 . . . . 20.0 112.121 170.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.87 -20.75 64.28 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.858 1.663 . . . . 20.0 113.35 173.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.8 t -67.33 -39.92 85.89 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.354 1.061 . . . . 20.0 110.597 173.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 61.2 m -74.27 -20.64 60.08 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.147 1.379 . . . . 20.0 112.856 171.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.43 -136.05 12.6 Favored Glycine 0 C--N 1.341 0.816 0 C-N-CA 125.854 1.692 . . . . 20.0 111.18 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -112.03 111.12 21.82 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.146 1.778 . . . . 20.0 108.68 -178.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.33 -1.98 11.42 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.917 1.246 . . . . 20.0 114.509 176.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -140.07 169.49 17.61 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.296 1.438 . . . . 20.0 111.14 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.73 167.1 22.89 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.185 1.394 . . . . 20.0 111.651 178.068 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 34.8 t -85.75 144.09 27.96 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.197 0.999 . . . . 20.0 110.033 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.6 m . . . . . 0 CA--C 1.534 0.35 0 C-N-CA 124.855 1.262 . . . . 20.0 112.185 178.507 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 CA--C 1.536 0.435 0 CA-C-O 120.601 0.238 . . . . 20.0 110.905 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 87.1 m -131.67 112.12 12.29 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.543 1.137 . . . . 20.0 108.832 170.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -133.85 157.83 76.87 Favored Pre-proline 0 CA--C 1.537 0.463 0 C-N-CA 126.527 1.931 . . . . 20.0 109.736 -173.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.47 157.81 60.29 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.462 2.108 . . . . 20.0 111.201 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.59 -27.09 69.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.796 1.638 . . . . 20.0 111.451 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -59.07 -25.11 63.47 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.937 2.095 . . . . 20.0 114.215 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -72.21 149.58 44.47 Favored 'General case' 0 C--N 1.344 0.338 0 C-N-CA 123.791 0.837 . . . . 20.0 110.338 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -80.19 99.78 7.97 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 108.951 -0.759 . . . . 20.0 108.951 167.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.6 m -151.36 165.93 32.57 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 126.209 1.804 . . . . 20.0 110.094 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -65.21 144.5 57.14 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.664 1.186 . . . . 20.0 109.052 169.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -127.33 99.42 5.64 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 124.161 0.985 . . . . 20.0 109.49 -176.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.52 168.03 17.14 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.598 1.559 . . . . 20.0 111.433 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -110.82 -29.2 8.07 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.892 1.071 . . . . 20.0 113.892 -173.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.91 7.19 10.38 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.948 1.699 . . . . 20.0 111.795 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -126.66 -17.57 4.99 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.55 1.54 . . . . 20.0 112.153 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.6 t -64.89 -39.7 93.95 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.925 0.89 . . . . 20.0 110.786 168.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.66 -18.22 65.25 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.154 1.382 . . . . 20.0 113.774 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.0 m -65.28 -28.74 69.54 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.124 0.969 . . . . 20.0 112.217 177.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 89.4 m -77.86 -51.63 10.15 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.722 1.209 . . . . 20.0 111.104 172.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 139.26 176.8 14.97 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 125.315 1.436 . . . . 20.0 111.652 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.88 133.83 51.75 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.559 0.744 . . . . 20.0 110.491 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.11 -0.3 87.41 Favored Glycine 0 CA--C 1.536 1.365 0 CA-C-O 118.557 -1.135 . . . . 20.0 114.586 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -126.02 165.29 19.07 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.9 1.35 . . . . 20.0 110.3 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -139.63 177.28 8.05 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.837 1.655 . . . . 20.0 110.946 174.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.3 t -120.37 108.76 14.52 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 124.291 1.036 . . . . 20.0 110.584 -176.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.4 t . . . . . 0 CA--C 1.537 0.466 0 C-N-CA 125.28 1.432 . . . . 20.0 111.182 -178.242 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 CA--C 1.534 0.333 0 CA-C-O 121.147 0.499 . . . . 20.0 109.929 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.1 m -121.3 66.13 0.88 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.126 1.37 . . . . 20.0 109.717 -171.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -72.73 156.22 90.17 Favored Pre-proline 0 CA--C 1.539 0.556 0 C-N-CA 124.866 1.266 . . . . 20.0 111.09 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.38 157.12 53.81 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 123.301 2.668 . . . . 20.0 110.507 173.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.3 mt -61.72 -34.51 75.93 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.738 1.215 . . . . 20.0 112.168 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -62.78 -13.73 36.67 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.15 1.38 . . . . 20.0 114.073 177.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.8 tpt85 -66.56 134.51 52.52 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 124.302 1.041 . . . . 20.0 110.201 173.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -72.88 86.53 1.28 Allowed 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.096 0.958 . . . . 20.0 109.598 169.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.7 t -158.29 173.82 16.09 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.828 1.651 . . . . 20.0 110.109 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -70.94 174.53 6.05 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.87 1.268 . . . . 20.0 111.16 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -139.91 152.83 46.71 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.066 1.746 . . . . 20.0 109.773 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt -127.38 -174.72 3.24 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.315 1.846 . . . . 20.0 109.754 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -129.4 -36.18 1.7 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.81 1.244 . . . . 20.0 112.478 177.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.15 -46.72 27.24 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.062 0.945 . . . . 20.0 110.805 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -83.32 -25.77 31.2 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.31 0.644 . . . . 20.0 111.803 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.3 t -76.03 -1.31 25.2 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.476 1.111 . . . . 20.0 112.509 172.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.27 14.14 32.77 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.984 1.714 . . . . 20.0 111.97 172.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 t -128.49 13.36 6.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.748 1.619 . . . . 20.0 113.763 -171.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.6 m -128.81 -16.28 4.21 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 115.117 1.525 . . . . 20.0 115.117 -170.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 124.74 -125.55 5.75 Favored Glycine 0 C--N 1.345 1.029 0 C-N-CA 124.978 1.275 . . . . 20.0 112.274 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -135.07 149.08 50.03 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.871 1.669 . . . . 20.0 109.971 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.47 19.42 76.2 Favored Glycine 0 CA--C 1.537 1.409 0 CA-C-O 118.919 -0.934 . . . . 20.0 114.131 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -122.79 174.21 7.27 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.195 1.798 . . . . 20.0 112.222 -170.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.37 169.06 25.46 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.034 1.734 . . . . 20.0 110.327 161.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 11.5 t -93.62 110.42 22.03 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 122.832 0.453 . . . . 20.0 110.022 173.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 36.1 t . . . . . 0 CA--C 1.534 0.337 0 C-N-CA 124.36 1.064 . . . . 20.0 110.347 177.767 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 . . . . . 0 C--O 1.234 0.241 0 CA-C-O 121.418 0.628 . . . . 20.0 111.743 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.8 m -85.49 91.58 8.27 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 126.068 1.747 . . . . 20.0 109.348 174.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -96.81 161.6 25.93 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 126.062 1.745 . . . . 20.0 109.653 177.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -64.91 164.21 25.47 Favored 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 122.42 2.08 . . . . 20.0 112.138 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -62.08 -31.13 71.53 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.749 1.22 . . . . 20.0 111.05 173.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -60.6 -17.85 49.21 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.474 2.31 . . . . 20.0 114.279 173.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.76 137.12 57.6 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 124.744 1.218 . . . . 20.0 110.396 177.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -82.19 80.18 8.48 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.022 -0.733 . . . . 20.0 109.022 167.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.6 p -149.85 173.99 13.15 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.953 1.301 . . . . 20.0 111.127 174.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -68.67 165.26 19.77 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.26 1.024 . . . . 20.0 111.316 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -137.67 155.88 48.64 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.749 1.22 . . . . 20.0 110.254 -174.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.4 mt -126.01 -175.69 3.43 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.434 1.894 . . . . 20.0 110.296 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -125.39 -39.51 2.18 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 124.827 1.251 . . . . 20.0 112.15 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.84 -46.92 27.79 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.336 1.055 . . . . 20.0 110.785 172.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -87.46 -29.23 21.56 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 123.481 0.712 . . . . 20.0 112.651 -173.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.4 t -65.91 -34.25 77.7 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.434 0.694 . . . . 20.0 110.842 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.86 -34.28 77.45 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.754 1.222 . . . . 20.0 112.361 171.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.3 m -71.26 -29.0 64.56 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.266 1.026 . . . . 20.0 113.021 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 40.3 m -71.43 -12.44 61.41 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.247 1.203 . . . . 20.0 114.247 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.48 157.72 33.95 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 125.098 1.332 . . . . 20.0 112.073 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.07 101.64 3.96 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.57 1.148 . . . . 20.0 110.047 -171.409 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 132.84 -8.84 5.2 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 126.414 1.959 . . . . 20.0 113.161 -173.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.8 mp0 -134.6 161.05 36.18 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.465 1.506 . . . . 20.0 110.902 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -139.49 165.52 27.01 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.843 2.457 . . . . 20.0 110.208 178.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 11.5 t -98.0 112.37 24.33 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.126 0.57 . . . . 20.0 110.425 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 70.4 m . . . . . 0 CA--C 1.535 0.383 0 C-N-CA 123.73 0.812 . . . . 20.0 110.558 170.342 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 . . . . . 0 CA--C 1.531 0.241 0 CA-C-O 121.136 0.493 . . . . 20.0 109.987 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.7 m -80.96 89.26 5.89 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.675 1.19 . . . . 20.0 109.471 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -84.77 155.69 61.6 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 124.851 1.26 . . . . 20.0 110.725 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.21 155.73 63.77 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.575 2.183 . . . . 20.0 110.528 176.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.09 -33.64 76.23 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.259 1.024 . . . . 20.0 111.914 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -64.23 -16.31 61.78 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.616 1.567 . . . . 20.0 114.031 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 -66.14 160.42 24.1 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.144 0.978 . . . . 20.0 110.233 171.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -105.75 108.28 19.71 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.869 1.267 . . . . 20.0 108.81 172.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.1 -175.14 4.7 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.699 1.199 . . . . 20.0 111.465 178.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -55.32 -52.41 63.56 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.793 1.637 . . . . 20.0 111.706 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 60.46 98.1 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 128.159 2.584 . . . . 20.0 112.783 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.1 mt -72.29 172.04 11.03 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.389 1.076 . . . . 20.0 111.111 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -117.2 -41.95 2.95 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 124.539 1.135 . . . . 20.0 112.382 -176.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.64 -17.81 32.91 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.814 0.845 . . . . 20.0 112.177 173.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -116.86 -6.48 11.49 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.466 1.106 . . . . 20.0 112.539 -168.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.5 p -63.57 -33.26 75.2 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.405 0.682 . . . . 20.0 111.682 162.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.67 -9.69 57.68 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.701 1.601 . . . . 20.0 114.027 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.3 t -65.13 -45.09 86.5 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.026 0.93 . . . . 20.0 110.938 172.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 36.5 m -70.8 -12.85 61.8 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.77 1.228 . . . . 20.0 113.166 171.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.43 179.3 38.14 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 125.559 1.552 . . . . 20.0 112.961 176.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -61.48 118.06 6.52 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.698 1.599 . . . . 20.0 110.595 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.49 -2.0 39.7 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.962 1.267 . . . . 20.0 114.969 174.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -128.64 170.32 13.39 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.238 1.415 . . . . 20.0 110.16 178.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -139.42 168.18 20.41 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.738 0.815 . . . . 20.0 113.062 176.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.3 t -92.23 134.1 35.2 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 125.278 1.431 . . . . 20.0 109.563 175.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 67.6 m . . . . . 0 CA--C 1.54 0.562 0 C-N-CA 126.018 1.727 . . . . 20.0 109.771 177.486 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 . . . . . 0 CA--C 1.535 0.38 0 CA-C-O 120.781 0.324 . . . . 20.0 110.837 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.2 m -114.94 118.68 34.14 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.751 1.621 . . . . 20.0 109.376 175.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -144.05 160.98 47.58 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 126.445 1.898 . . . . 20.0 109.711 -168.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -69.01 162.19 42.7 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.343 2.029 . . . . 20.0 111.605 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.3 mt -61.2 -33.94 74.27 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.444 1.498 . . . . 20.0 111.837 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -58.66 -23.1 58.61 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.493 1.917 . . . . 20.0 114.048 176.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -63.38 151.15 41.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.311 1.044 . . . . 20.0 111.191 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -91.2 83.94 5.6 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.503 1.121 . . . . 20.0 110.002 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.0 t -160.91 178.67 9.17 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.793 1.237 . . . . 20.0 111.554 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -61.83 159.02 14.61 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.987 1.715 . . . . 20.0 110.782 173.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -136.77 107.01 6.38 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.936 1.694 . . . . 20.0 109.393 -178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.1 mt -79.2 -176.86 5.37 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.06 1.344 . . . . 20.0 111.489 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -124.76 -41.21 2.14 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.459 1.104 . . . . 20.0 111.995 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.79 -38.14 33.71 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.714 0.806 . . . . 20.0 112.009 176.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -100.02 -13.04 19.23 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.787 0.835 . . . . 20.0 112.781 -176.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.7 t -65.78 -44.53 85.52 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.55 0.74 . . . . 20.0 110.758 172.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.59 -23.88 64.52 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.215 1.006 . . . . 20.0 112.861 173.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.4 t -70.11 -30.46 67.67 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.038 0.935 . . . . 20.0 112.112 177.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 93.8 m -68.15 -61.06 2.03 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 123.846 0.858 . . . . 20.0 109.987 167.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.89 -179.74 29.1 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 123.873 0.749 . . . . 20.0 112.476 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -63.83 141.82 58.63 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.087 0.955 . . . . 20.0 110.367 170.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.78 10.56 58.64 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.308 0.956 . . . . 20.0 113.939 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -128.37 166.51 18.55 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 125.307 1.443 . . . . 20.0 110.418 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -145.72 174.95 10.76 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.612 1.565 . . . . 20.0 110.374 173.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 14.8 t -109.46 127.39 54.38 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 123.891 0.876 . . . . 20.0 110.335 173.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 40.9 t . . . . . 0 CA--C 1.537 0.471 0 C-N-CA 125.839 1.656 . . . . 20.0 110.676 175.506 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 . . . . . 0 CA--C 1.538 0.518 0 CA-C-O 121.365 0.602 . . . . 20.0 111.542 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.8 m -77.9 92.95 4.32 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.087 1.355 . . . . 20.0 109.084 171.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -98.5 164.54 16.88 Favored Pre-proline 0 CA--C 1.538 0.507 0 C-N-CA 126.835 2.054 . . . . 20.0 109.883 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -66.18 160.51 44.54 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.386 2.057 . . . . 20.0 111.143 176.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.1 mt -63.0 -32.83 74.28 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.2 1.4 . . . . 20.0 111.752 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -68.48 -9.32 48.08 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.946 1.699 . . . . 20.0 114.539 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -66.92 148.19 52.27 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.138 0.881 . . . . 20.0 112.131 -173.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -78.69 75.79 5.2 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.185 1.394 . . . . 20.0 109.756 173.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -161.26 179.77 8.07 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.934 1.694 . . . . 20.0 109.949 175.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -65.98 167.78 9.22 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.477 1.111 . . . . 20.0 111.62 172.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -135.53 151.97 50.85 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 127.094 2.157 . . . . 20.0 109.084 176.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.9 mt -128.17 179.78 5.42 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.508 1.123 . . . . 20.0 109.176 177.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -119.84 -45.5 2.48 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.64 1.176 . . . . 20.0 111.371 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.56 -39.47 45.7 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.887 0.475 . . . . 20.0 111.35 175.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -86.56 -21.63 26.77 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 122.551 0.341 . . . . 20.0 111.626 -176.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.9 t -69.67 -38.29 77.0 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.344 0.658 . . . . 20.0 110.758 171.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.66 66.32 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.515 0.726 . . . . 20.0 112.543 170.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t -69.83 -34.38 73.57 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.742 0.701 . . . . 20.0 111.776 173.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 57.0 m -69.41 -8.74 49.32 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.24 1.016 . . . . 20.0 113.504 169.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 100.77 -113.39 4.68 Favored Glycine 0 C--N 1.341 0.824 0 C-N-CA 125.431 1.491 . . . . 20.0 110.865 174.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -133.5 145.38 50.12 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 126.315 1.846 . . . . 20.0 110.071 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.02 1.66 56.62 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 124.917 1.246 . . . . 20.0 114.919 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -131.82 159.87 37.29 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 125.093 1.357 . . . . 20.0 110.415 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -137.93 169.27 18.08 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.351 1.86 . . . . 20.0 111.501 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 47.3 t -114.62 119.97 38.56 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.039 1.335 . . . . 20.0 108.639 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 17.4 t . . . . . 0 CA--C 1.535 0.382 0 C-N-CA 122.63 0.372 . . . . 20.0 110.424 171.348 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 . . . . . 0 CA--C 1.535 0.372 0 CA-C-O 121.344 0.592 . . . . 20.0 111.058 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.4 m -68.95 116.32 9.28 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.86 1.264 . . . . 20.0 109.638 167.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -115.1 158.53 40.74 Favored Pre-proline 0 CA--C 1.539 0.541 0 C-N-CA 125.648 1.579 . . . . 20.0 110.279 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.72 149.14 66.78 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.88 2.387 . . . . 20.0 109.985 174.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.42 -30.07 70.96 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.337 1.455 . . . . 20.0 112.162 -175.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -60.72 -19.59 59.18 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.714 1.606 . . . . 20.0 114.161 172.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.05 126.53 30.18 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 119.206 0.912 . . . . 20.0 109.355 173.252 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -83.51 97.04 8.8 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 108.265 -1.013 . . . . 20.0 108.265 166.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.7 t -140.25 -83.73 0.23 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.357 1.463 . . . . 20.0 108.571 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -150.77 167.19 28.16 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.446 1.499 . . . . 20.0 109.156 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -154.63 145.44 22.48 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.604 1.161 . . . . 20.0 109.341 171.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.0 mt -132.09 -179.59 5.51 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.972 1.709 . . . . 20.0 109.953 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -116.4 -35.53 4.26 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.835 1.254 . . . . 20.0 111.994 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.07 -27.41 28.3 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.354 1.062 . . . . 20.0 112.454 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -109.5 -15.47 14.2 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.658 0.783 . . . . 20.0 112.951 -170.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 84.9 p -67.42 -29.13 68.54 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.481 0.582 . . . . 20.0 111.687 167.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.94 -21.34 65.11 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.51 1.524 . . . . 20.0 112.879 175.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.9 t -67.64 -38.52 83.97 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 123.931 0.892 . . . . 20.0 111.053 173.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 83.3 m -77.88 -16.66 58.08 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.909 1.284 . . . . 20.0 112.977 173.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.94 -125.35 8.44 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.635 1.588 . . . . 20.0 111.319 175.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -123.46 107.92 12.11 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.622 1.569 . . . . 20.0 109.536 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 125.86 -8.82 7.64 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 125.373 1.463 . . . . 20.0 114.134 176.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -139.87 166.34 24.88 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.552 1.541 . . . . 20.0 110.222 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.88 169.84 16.82 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.84 1.256 . . . . 20.0 112.278 -174.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 24.5 t -79.43 138.29 37.55 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.499 1.12 . . . . 20.0 109.72 175.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.7 t . . . . . 0 CA--C 1.533 0.313 0 C-N-CA 125.693 1.597 . . . . 20.0 109.365 -178.459 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 C--O 1.234 0.242 0 CA-C-O 121.298 0.571 . . . . 20.0 111.004 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.3 m -71.28 139.13 49.87 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.427 1.091 . . . . 20.0 109.878 167.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -143.34 163.55 36.45 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 127.586 2.354 . . . . 20.0 109.615 -177.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.44 162.45 41.86 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.329 2.019 . . . . 20.0 111.324 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -61.16 -34.73 75.48 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.893 1.277 . . . . 20.0 110.74 173.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -80.1 54.32 1.91 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.769 2.428 . . . . 20.0 111.508 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -135.21 157.6 46.51 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 124.553 1.141 . . . . 20.0 112.227 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -84.31 8.88 14.58 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.848 1.659 . . . . 20.0 114.591 175.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 25.5 m -69.59 160.36 31.68 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.117 0.967 . . . . 20.0 111.904 171.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -83.39 100.89 10.98 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.868 1.667 . . . . 20.0 108.84 174.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -66.12 119.22 11.05 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.778 1.631 . . . . 20.0 111.036 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 86.6 mt -76.15 179.69 5.53 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.531 1.532 . . . . 20.0 111.625 173.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -116.91 -40.6 3.12 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.263 1.025 . . . . 20.0 112.236 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.51 -40.4 21.08 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.421 1.088 . . . . 20.0 111.409 177.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -96.23 -14.69 22.5 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.978 0.733 . . . . 20.0 112.978 -168.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.3 m -67.96 -40.75 83.13 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.551 0.74 . . . . 20.0 111.129 173.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.99 -16.58 64.11 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.023 0.929 . . . . 20.0 113.151 173.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.3 t -69.0 -36.17 77.51 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.924 0.89 . . . . 20.0 112.425 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 73.8 m -66.01 -40.06 90.78 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 124.254 1.022 . . . . 20.0 111.724 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.16 -174.64 19.51 Favored Glycine 0 C--O 1.224 -0.528 0 C-N-CA 125.814 1.673 . . . . 20.0 112.961 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -66.49 127.67 33.21 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.878 1.671 . . . . 20.0 110.357 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.35 5.55 87.02 Favored Glycine 0 CA--C 1.534 1.279 0 CA-C-O 118.462 -1.188 . . . . 20.0 115.09 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -137.96 156.04 48.27 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.828 1.651 . . . . 20.0 110.363 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.54 179.91 6.54 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.542 1.537 . . . . 20.0 111.17 -174.431 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.5 t -112.92 168.91 9.3 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.201 1.0 . . . . 20.0 112.246 -174.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 35.8 t . . . . . 0 CA--C 1.533 0.305 0 C-N-CA 125.741 1.616 . . . . 20.0 110.695 -176.437 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 . . . . . 0 C--O 1.235 0.297 0 CA-C-O 121.458 0.647 . . . . 20.0 110.295 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 98.5 m -85.07 81.77 8.73 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.245 1.418 . . . . 20.0 109.304 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -75.16 158.25 84.28 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 125.556 1.543 . . . . 20.0 110.04 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -68.6 160.32 49.86 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.359 2.039 . . . . 20.0 110.941 177.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.29 -32.53 73.27 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.789 1.236 . . . . 20.0 111.584 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.1 -17.56 63.54 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.445 1.898 . . . . 20.0 113.755 175.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -68.46 123.86 21.97 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 124.427 1.091 . . . . 20.0 111.429 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -78.64 81.22 4.97 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.615 1.166 . . . . 20.0 110.361 173.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.0 p -150.18 -175.48 5.08 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.281 2.232 . . . . 20.0 109.096 167.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -59.49 155.05 15.89 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.872 0.869 . . . . 20.0 110.878 176.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -144.31 112.52 6.41 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.696 1.598 . . . . 20.0 109.131 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -72.61 174.4 7.59 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.981 1.712 . . . . 20.0 109.981 172.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -118.94 -48.3 2.46 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.026 0.93 . . . . 20.0 111.785 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.62 -38.2 26.37 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.466 0.706 . . . . 20.0 111.158 175.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -79.44 -23.81 42.87 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.628 0.771 . . . . 20.0 112.447 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.5 t -65.38 -30.94 71.81 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.749 1.22 . . . . 20.0 112.131 174.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.64 -15.6 63.57 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.245 0.832 . . . . 20.0 113.245 175.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.2 m -66.63 -31.84 72.78 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.75 0.82 . . . . 20.0 111.427 173.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 97.6 m -76.06 -9.89 58.98 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.46 1.504 . . . . 20.0 113.598 173.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.36 -115.52 4.73 Favored Glycine 0 C--N 1.339 0.73 0 C-N-CA 125.467 1.508 . . . . 20.0 110.523 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -131.47 158.37 41.03 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.865 1.666 . . . . 20.0 111.369 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.14 -16.98 6.54 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.587 1.565 . . . . 20.0 114.695 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -129.18 164.26 23.79 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.384 1.874 . . . . 20.0 109.405 177.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.66 165.22 29.38 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.521 1.529 . . . . 20.0 111.508 -178.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 36.8 t -74.08 145.46 44.4 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.544 0.738 . . . . 20.0 110.393 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 52.7 t . . . . . 0 CA--C 1.535 0.392 0 C-N-CA 125.353 1.461 . . . . 20.0 110.135 -177.517 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 C--O 1.234 0.283 0 CA-C-O 121.653 0.74 . . . . 20.0 111.799 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.03 144.28 36.77 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.214 -1.357 . . . . 20.0 109.367 164.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -144.43 165.11 24.79 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 126.574 1.95 . . . . 20.0 109.841 -175.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.91 165.14 33.23 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 122.488 2.125 . . . . 20.0 110.708 171.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.5 mt -64.54 -32.36 73.98 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.711 1.205 . . . . 20.0 111.101 172.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -66.44 -12.77 58.95 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.131 1.772 . . . . 20.0 113.958 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.1 tpt85 -65.94 132.72 49.29 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.594 1.158 . . . . 20.0 110.055 175.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -73.29 79.37 1.33 Allowed 'General case' 0 C--N 1.344 0.329 0 C-N-CA 124.902 1.281 . . . . 20.0 109.819 170.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.9 t -159.8 174.94 13.73 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.255 1.422 . . . . 20.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -67.22 176.67 2.11 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.435 1.894 . . . . 20.0 112.153 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -140.1 157.79 45.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.277 1.831 . . . . 20.0 109.76 176.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.6 mt -133.21 -179.7 5.66 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.306 1.842 . . . . 20.0 110.141 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -120.3 -37.59 3.03 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.84 1.256 . . . . 20.0 112.292 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.63 -44.54 23.64 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.014 0.926 . . . . 20.0 111.062 173.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -88.69 -15.86 33.77 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.82 0.674 . . . . 20.0 112.82 -174.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.0 p -71.4 -23.99 61.97 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.771 0.714 . . . . 20.0 111.893 171.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.7 -24.75 58.81 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.252 1.021 . . . . 20.0 111.894 171.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.5 m -71.04 -28.75 64.61 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 124.19 0.996 . . . . 20.0 111.846 174.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.7 m -65.85 -60.17 3.13 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.692 0.797 . . . . 20.0 109.346 161.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.92 -98.68 0.33 Allowed Glycine 0 C--N 1.344 0.974 0 C-N-CA 125.797 1.665 . . . . 20.0 110.024 -176.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.8 158.2 43.85 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 127.61 2.364 . . . . 20.0 111.325 -176.548 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.34 10.37 47.77 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.806 1.193 . . . . 20.0 114.217 -176.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -145.83 172.84 12.73 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.003 1.721 . . . . 20.0 110.741 -166.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -154.29 159.53 41.29 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.07 1.748 . . . . 20.0 110.628 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.0 t -75.18 166.76 23.14 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 122.194 -0.316 . . . . 20.0 110.33 169.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 38.7 t . . . . . 0 CA--C 1.532 0.269 0 C-N-CA 124.952 1.301 . . . . 20.0 110.095 176.804 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 CA--C 1.536 0.442 0 CA-C-O 120.87 0.367 . . . . 20.0 110.432 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.7 m -62.54 105.85 0.69 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.187 0.995 . . . . 20.0 109.576 165.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -129.31 158.9 71.7 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 126.237 1.815 . . . . 20.0 109.985 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -70.88 156.93 59.52 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 122.569 2.18 . . . . 20.0 111.668 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.3 -32.87 72.72 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.928 1.691 . . . . 20.0 112.202 172.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -81.3 50.36 1.43 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.964 1.706 . . . . 20.0 111.843 174.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.9 tpp85 -131.38 151.68 51.31 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.336 1.454 . . . . 20.0 110.909 174.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -74.24 68.89 1.52 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.749 2.02 . . . . 20.0 112.853 176.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.4 t -154.72 171.72 19.09 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.423 -0.798 . . . . 20.0 112.44 173.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -70.54 165.98 21.55 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.002 1.721 . . . . 20.0 112.264 -177.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -134.96 114.41 12.47 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.586 1.954 . . . . 20.0 110.283 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.1 mt -80.0 177.64 8.79 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.424 1.489 . . . . 20.0 111.412 166.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -111.95 -46.95 3.17 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.553 1.541 . . . . 20.0 111.561 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.83 -43.45 71.96 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.906 0.883 . . . . 20.0 111.074 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -84.66 -6.95 59.39 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.829 0.852 . . . . 20.0 113.271 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.1 t -59.38 -32.09 69.82 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.402 1.001 . . . . 20.0 112.067 174.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.77 -10.67 57.95 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.168 1.387 . . . . 20.0 114.217 176.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.6 t -62.41 -50.54 71.11 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 125.171 1.388 . . . . 20.0 112.818 -170.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.3 -4.67 45.15 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.986 0.736 . . . . 20.0 112.986 174.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.15 -119.74 3.04 Favored Glycine 0 C--N 1.34 0.785 0 C-N-CA 125.482 1.515 . . . . 20.0 112.363 169.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -131.64 29.13 4.54 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.874 2.07 . . . . 20.0 112.256 -171.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -150.09 15.16 1.01 Allowed Glycine 0 CA--C 1.536 1.347 0 C-N-CA 127.266 2.365 . . . . 20.0 112.767 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.86 -177.77 4.24 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.414 1.486 . . . . 20.0 112.657 -175.272 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -153.98 145.72 23.37 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.663 1.185 . . . . 20.0 110.161 169.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.1 t -86.23 101.31 12.92 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.202 0.601 . . . . 20.0 110.422 -178.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 50.5 t . . . . . 0 CA--C 1.536 0.434 0 C-N-CA 125.53 1.532 . . . . 20.0 111.144 177.17 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 . . . . . 0 C--O 1.232 0.155 0 N-CA-C 109.74 -0.467 . . . . 20.0 109.74 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.8 m -81.47 110.72 17.14 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.173 0.989 . . . . 20.0 108.962 171.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -102.16 156.7 34.91 Favored Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 125.366 1.466 . . . . 20.0 110.042 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -72.36 148.99 49.96 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.907 2.405 . . . . 20.0 110.006 173.076 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.59 -28.84 70.16 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.347 1.459 . . . . 20.0 111.932 -177.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -56.93 -27.21 60.69 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.439 1.496 . . . . 20.0 113.348 172.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -75.37 128.7 35.96 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.985 1.314 . . . . 20.0 110.674 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -83.44 105.52 14.45 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.483 1.113 . . . . 20.0 110.31 174.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.9 p -145.62 178.08 8.41 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.036 1.335 . . . . 20.0 110.698 169.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -72.18 92.54 1.36 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.417 1.087 . . . . 20.0 109.597 172.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -69.83 129.26 39.07 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.153 0.981 . . . . 20.0 110.718 178.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -72.3 -179.72 3.02 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.826 2.05 . . . . 20.0 110.762 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -119.42 -37.7 3.12 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.003 0.742 . . . . 20.0 113.003 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -103.79 -30.64 10.26 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.531 1.133 . . . . 20.0 111.546 176.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -88.96 -17.12 30.13 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.501 1.12 . . . . 20.0 111.917 177.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.6 t -67.55 -38.97 84.94 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.458 0.703 . . . . 20.0 110.81 169.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.01 -11.3 60.7 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.804 1.241 . . . . 20.0 113.671 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t -64.76 -48.13 75.66 Favored 'General case' 0 C--N 1.345 0.403 0 C-N-CA 124.88 1.272 . . . . 20.0 113.187 -171.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.76 -8.47 56.92 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.872 1.064 . . . . 20.0 113.872 -177.043 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.91 171.51 43.45 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 125.24 1.4 . . . . 20.0 112.224 -176.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -62.62 120.46 11.22 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.198 1.399 . . . . 20.0 109.968 -176.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.0 -12.97 8.55 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.655 1.598 . . . . 20.0 113.717 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -139.49 170.84 15.19 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.372 1.469 . . . . 20.0 110.414 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.58 174.28 13.15 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.519 1.528 . . . . 20.0 111.057 177.489 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.8 t -103.29 164.33 11.7 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.677 0.791 . . . . 20.0 110.533 172.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 93.9 m . . . . . 0 CA--C 1.535 0.383 0 C-N-CA 126.518 1.927 . . . . 20.0 110.305 175.579 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 . . . . . 0 CA--C 1.536 0.42 0 CA-C-O 121.341 0.591 . . . . 20.0 111.837 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.8 m -78.22 78.42 4.69 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.824 1.65 . . . . 20.0 110.113 172.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -77.26 158.05 79.97 Favored Pre-proline 0 CA--C 1.538 0.513 0 C-N-CA 125.256 1.422 . . . . 20.0 111.381 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.71 154.15 71.85 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 122.937 2.425 . . . . 20.0 110.561 176.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.5 mt -63.62 -33.06 74.78 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 125.353 1.461 . . . . 20.0 112.283 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -62.16 -16.05 50.21 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.629 1.971 . . . . 20.0 113.495 175.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.1 tpt85 -68.66 129.42 39.88 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 124.676 1.19 . . . . 20.0 109.083 170.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -73.5 94.85 2.17 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 108.735 -0.839 . . . . 20.0 108.735 171.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.4 t -160.5 176.26 11.82 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.325 1.45 . . . . 20.0 110.234 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.48 160.97 12.61 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.213 1.405 . . . . 20.0 110.807 174.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -138.48 111.16 7.62 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 125.552 1.541 . . . . 20.0 108.646 171.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.16 174.62 6.12 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.157 1.783 . . . . 20.0 109.56 170.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -117.21 -25.17 7.19 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.827 1.047 . . . . 20.0 113.827 -176.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.94 -20.24 7.58 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.896 1.278 . . . . 20.0 112.764 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -91.34 -20.49 21.8 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.114 0.966 . . . . 20.0 111.347 171.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.4 m -76.52 -24.47 53.69 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.556 0.742 . . . . 20.0 111.632 167.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.97 -26.25 63.07 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.841 0.856 . . . . 20.0 111.723 173.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.0 t -68.72 -30.71 69.4 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.802 1.241 . . . . 20.0 111.756 173.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.0 m -76.06 -9.7 58.83 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.988 1.315 . . . . 20.0 113.562 172.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.28 -114.15 4.8 Favored Glycine 0 C--N 1.339 0.706 0 C-N-CA 125.586 1.565 . . . . 20.0 110.343 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -137.56 153.09 50.02 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.647 1.979 . . . . 20.0 111.06 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.64 -3.47 63.71 Favored Glycine 0 CA--C 1.536 1.39 0 CA-C-O 118.675 -1.069 . . . . 20.0 114.621 -177.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -133.15 172.03 13.21 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.773 1.629 . . . . 20.0 110.22 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.13 165.13 30.9 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.33 1.452 . . . . 20.0 111.292 176.401 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 45.0 t -77.83 135.28 37.92 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.495 -0.928 . . . . 20.0 108.495 165.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 11.6 t . . . . . 0 CA--C 1.533 0.316 0 C-N-CA 125.373 1.469 . . . . 20.0 109.488 178.007 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 . . . . . 0 CA--C 1.531 0.238 0 CA-C-O 121.145 0.498 . . . . 20.0 110.718 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.4 t -80.73 112.26 17.94 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.338 1.055 . . . . 20.0 109.802 -176.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.09 161.12 34.37 Favored Pre-proline 0 CA--C 1.54 0.583 0 C-N-CA 125.861 1.665 . . . . 20.0 110.13 -175.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -69.45 156.22 64.77 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 122.603 2.202 . . . . 20.0 111.041 170.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.2 mt -63.46 -28.59 70.07 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.169 1.388 . . . . 20.0 111.926 178.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -56.38 -30.86 63.23 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.791 1.637 . . . . 20.0 112.888 175.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -76.72 134.12 39.3 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 124.924 1.289 . . . . 20.0 110.292 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -101.15 105.62 16.79 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.935 1.294 . . . . 20.0 110.896 -178.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.9 t -146.08 -76.94 0.19 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.502 1.521 . . . . 20.0 109.3 173.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -151.84 162.55 40.86 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.273 1.829 . . . . 20.0 108.358 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -141.96 96.68 3.01 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.56 1.144 . . . . 20.0 108.946 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.86 172.4 2.28 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.922 1.689 . . . . 20.0 111.101 175.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -106.1 -45.44 4.33 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.41 1.084 . . . . 20.0 112.013 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.26 -36.44 17.92 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.642 0.777 . . . . 20.0 111.561 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -84.43 -27.67 27.41 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.259 0.624 . . . . 20.0 112.096 -174.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.6 m -73.41 -27.24 61.34 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 118.536 0.607 . . . . 20.0 111.383 169.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.47 -26.18 58.0 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.769 0.828 . . . . 20.0 112.276 172.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -71.69 -35.5 70.28 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.439 1.096 . . . . 20.0 110.985 170.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.4 m -67.41 -18.68 65.2 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.364 1.466 . . . . 20.0 112.616 166.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.24 167.35 41.37 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.829 1.681 . . . . 20.0 113.032 -177.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.6 ptmm? -66.5 112.07 3.91 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.862 1.265 . . . . 20.0 111.139 176.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.28 -13.01 7.07 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.234 1.397 . . . . 20.0 113.403 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -134.77 170.81 15.28 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.08 1.752 . . . . 20.0 109.611 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.48 -179.85 7.15 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.497 1.519 . . . . 20.0 111.376 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.8 t -122.39 142.62 50.33 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.903 0.881 . . . . 20.0 110.554 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 28.4 t . . . . . 0 N--CA 1.467 0.424 0 C-N-CA 126.049 1.74 . . . . 20.0 110.219 175.204 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 . . . . . 0 C--O 1.234 0.253 0 CA-C-O 121.663 0.744 . . . . 20.0 111.625 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.2 m -76.0 94.18 3.37 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.936 1.695 . . . . 20.0 109.74 172.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -85.12 158.09 58.78 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 124.911 1.284 . . . . 20.0 110.3 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.1 153.26 67.53 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.773 2.316 . . . . 20.0 110.027 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.9 mt -65.94 -32.05 73.32 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.99 0.916 . . . . 20.0 112.021 -178.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -62.5 -14.61 43.46 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.747 1.619 . . . . 20.0 114.13 173.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -65.96 134.5 53.08 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 124.338 1.055 . . . . 20.0 110.413 175.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -75.84 71.89 2.7 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.281 1.433 . . . . 20.0 109.981 171.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.5 t -149.17 174.98 11.77 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.468 1.507 . . . . 20.0 110.376 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -66.25 159.04 27.4 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.894 1.278 . . . . 20.0 111.413 -176.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -140.08 112.26 7.68 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 126.074 1.75 . . . . 20.0 108.917 175.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.85 -170.69 0.93 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.472 1.909 . . . . 20.0 111.012 175.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -123.94 -27.78 3.87 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 114.336 1.236 . . . . 20.0 114.336 -174.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.74 -25.58 5.88 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.129 1.371 . . . . 20.0 111.525 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -89.31 -24.86 21.92 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.81 1.244 . . . . 20.0 111.491 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.1 p -67.04 -37.6 84.38 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.229 0.612 . . . . 20.0 111.182 167.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.96 -19.99 63.34 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.794 1.238 . . . . 20.0 112.961 177.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.6 t -63.45 -34.68 78.29 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.215 1.006 . . . . 20.0 111.558 174.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 69.9 m -76.75 -12.07 59.93 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.417 1.487 . . . . 20.0 114.169 174.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.26 173.53 46.19 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.451 1.5 . . . . 20.0 112.335 -177.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.411 ' HE3' ' N ' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -77.04 102.43 6.48 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.709 1.204 . . . . 20.0 109.22 -177.467 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 140.29 -9.53 2.97 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.424 1.488 . . . . 20.0 113.549 -178.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -141.82 171.25 14.32 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.98 1.712 . . . . 20.0 110.294 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.0 170.6 16.78 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.216 1.406 . . . . 20.0 111.334 177.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.9 t -91.75 116.47 28.92 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 109.976 -0.379 . . . . 20.0 109.976 172.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 38.2 t . . . . . 0 CA--C 1.536 0.413 0 C-N-CA 124.374 1.07 . . . . 20.0 109.931 168.572 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 . . . . . 0 N--CA 1.463 0.178 0 CA-C-O 120.888 0.375 . . . . 20.0 110.667 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.5 m -111.84 105.43 13.89 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.7 1.2 . . . . 20.0 109.101 -177.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -131.68 157.28 78.61 Favored Pre-proline 0 CA--C 1.538 0.515 0 C-N-CA 126.934 2.094 . . . . 20.0 109.412 -174.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.34 157.33 62.27 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.376 2.05 . . . . 20.0 111.32 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -61.65 -33.29 73.71 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.162 1.385 . . . . 20.0 111.78 178.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -62.03 -17.2 56.54 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.868 1.667 . . . . 20.0 114.081 177.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -62.84 129.35 40.07 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.297 1.039 . . . . 20.0 110.299 178.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -88.26 79.43 7.82 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.211 1.004 . . . . 20.0 110.544 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.5 p -155.57 -178.61 7.41 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.842 1.657 . . . . 20.0 111.252 174.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -68.61 163.82 22.83 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.345 1.458 . . . . 20.0 110.719 177.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -154.76 -177.4 6.48 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.958 0.903 . . . . 20.0 112.063 177.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.9 mt -131.44 -176.68 4.11 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.386 1.874 . . . . 20.0 110.46 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -113.25 -40.32 3.94 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.671 1.188 . . . . 20.0 111.682 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.81 -40.59 32.51 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.798 0.839 . . . . 20.0 111.735 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -85.14 -21.39 29.27 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.032 0.933 . . . . 20.0 112.214 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.3 t -61.12 -43.48 98.82 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.38 0.672 . . . . 20.0 110.868 169.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.4 -20.77 64.7 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.558 1.143 . . . . 20.0 113.356 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.4 m -67.99 -34.27 76.21 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 123.683 0.793 . . . . 20.0 111.731 177.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 10.8 m -79.91 -8.11 59.13 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.963 1.305 . . . . 20.0 114.367 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.8 179.46 36.1 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 124.224 0.916 . . . . 20.0 113.342 175.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -62.03 114.6 3.49 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.878 2.071 . . . . 20.0 111.072 -173.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.15 7.53 60.84 Favored Glycine 0 CA--C 1.534 1.244 0 CA-C-O 118.764 -1.02 . . . . 20.0 114.739 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -116.29 165.99 12.55 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.449 1.5 . . . . 20.0 110.285 176.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -146.33 178.05 8.54 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.189 1.395 . . . . 20.0 111.454 176.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.9 t -84.89 164.51 18.34 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 122.415 0.286 . . . . 20.0 111.053 172.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.341 0.211 0 C-N-CA 125.582 1.553 . . . . 20.0 109.929 172.944 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 C--O 1.233 0.213 0 CA-C-O 121.425 0.631 . . . . 20.0 109.699 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 79.3 m -87.05 87.41 7.45 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.604 1.562 . . . . 20.0 110.357 -168.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -87.88 162.02 42.55 Favored Pre-proline 0 CA--C 1.541 0.609 0 C-N-CA 126.202 1.801 . . . . 20.0 110.356 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.47 155.24 69.77 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.53 2.153 . . . . 20.0 110.289 169.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.3 mt -62.68 -38.78 91.72 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.564 1.146 . . . . 20.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -79.93 64.34 4.75 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.615 1.566 . . . . 20.0 110.865 175.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -132.91 149.62 52.23 Favored 'General case' 0 C--N 1.341 0.239 0 C-N-CA 124.888 1.275 . . . . 20.0 111.396 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -72.69 20.69 0.07 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.462 2.305 . . . . 20.0 114.765 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.4 t -109.65 175.06 5.59 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.692 1.597 . . . . 20.0 111.659 -178.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -65.56 160.14 23.07 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.149 1.779 . . . . 20.0 110.606 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -140.2 113.96 8.79 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.885 1.674 . . . . 20.0 109.293 172.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.14 175.74 6.48 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.507 1.523 . . . . 20.0 111.064 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -116.84 -21.55 8.95 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.445 1.098 . . . . 20.0 113.936 -175.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.22 -15.6 12.7 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.3 1.44 . . . . 20.0 112.968 176.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -118.98 -6.07 10.51 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 125.353 1.461 . . . . 20.0 112.922 -174.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.8 p -65.95 -45.1 83.01 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.372 0.669 . . . . 20.0 110.691 166.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.51 -14.06 62.0 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.165 1.386 . . . . 20.0 113.69 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t -68.4 -32.74 73.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.972 0.909 . . . . 20.0 111.79 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 35.2 m -69.62 -35.88 75.66 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.213 1.005 . . . . 20.0 112.303 170.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 131.56 174.88 13.78 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 125.15 1.357 . . . . 20.0 112.166 177.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -71.63 107.26 4.39 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.032 1.333 . . . . 20.0 109.056 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.44 2.16 21.44 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.95 1.262 . . . . 20.0 114.387 -178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -134.13 169.67 16.82 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.962 1.381 . . . . 20.0 110.446 178.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.29 157.97 43.23 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.347 1.059 . . . . 20.0 112.148 175.608 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.1 t -75.53 151.94 37.87 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.36 1.064 . . . . 20.0 109.869 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 10.3 t . . . . . 0 CA--C 1.534 0.341 0 C-N-CA 125.401 1.48 . . . . 20.0 110.592 -176.871 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 121.137 0.494 . . . . 20.0 110.787 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.6 t -84.14 105.05 14.7 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.512 1.525 . . . . 20.0 109.103 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -131.12 161.68 60.25 Favored Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 125.067 1.347 . . . . 20.0 111.356 -177.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.41 167.68 19.94 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.925 2.417 . . . . 20.0 112.036 173.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.4 -34.51 76.88 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.594 1.557 . . . . 20.0 111.235 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -82.21 63.17 6.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.561 1.544 . . . . 20.0 111.17 172.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -140.86 159.43 42.23 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.666 1.186 . . . . 20.0 111.768 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -81.44 52.63 1.9 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.898 1.679 . . . . 20.0 112.89 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.6 m -135.04 167.3 21.2 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.564 1.546 . . . . 20.0 110.244 167.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.69 173.56 2.76 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.473 1.909 . . . . 20.0 110.5 169.43 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -124.65 101.64 7.21 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.15 1.78 . . . . 20.0 108.593 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -64.96 -176.53 0.28 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.979 2.512 . . . . 20.0 111.633 174.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -123.02 -44.59 2.17 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.674 1.189 . . . . 20.0 111.868 174.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.48 -31.85 32.74 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.599 0.76 . . . . 20.0 113.015 -175.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -101.26 -25.32 14.03 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.253 1.421 . . . . 20.0 111.576 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.9 t -72.49 12.56 0.45 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.457 1.903 . . . . 20.0 112.543 167.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -118.68 1.84 11.65 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.434 1.894 . . . . 20.0 112.407 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.3 m -114.3 -18.41 11.59 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.797 1.239 . . . . 20.0 113.702 -169.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 9.6 m -77.71 -17.38 57.68 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.721 1.209 . . . . 20.0 113.987 177.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.17 -123.97 5.84 Favored Glycine 0 C--N 1.344 1.024 0 C-N-CA 124.723 1.154 . . . . 20.0 110.928 -174.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -130.46 155.02 47.15 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.718 1.607 . . . . 20.0 110.254 176.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.67 27.9 68.35 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.454 1.026 . . . . 20.0 113.51 -176.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -136.06 167.32 21.46 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.985 1.714 . . . . 20.0 112.657 -163.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -156.84 179.27 9.44 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.768 1.627 . . . . 20.0 110.613 164.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.1 t -135.18 159.24 42.15 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.495 1.118 . . . . 20.0 111.013 173.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 59.8 m . . . . . 0 CA--C 1.546 0.821 0 C-N-CA 125.974 1.71 . . . . 20.0 112.007 -179.163 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 C--O 1.234 0.26 0 CA-C-O 122.215 1.007 . . . . 20.0 111.893 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.1 m -105.38 131.97 52.15 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.907 1.683 . . . . 20.0 110.012 -174.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -136.17 163.7 48.28 Favored Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 126.226 1.81 . . . . 20.0 109.946 -169.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.55 161.43 43.55 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.473 2.115 . . . . 20.0 110.952 175.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.1 mt -63.8 -32.64 74.21 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.336 1.054 . . . . 20.0 111.113 175.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -62.46 -15.7 51.18 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.891 1.676 . . . . 20.0 114.164 175.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -70.28 144.48 51.76 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.091 0.859 . . . . 20.0 110.553 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -82.56 18.66 1.45 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.077 0.951 . . . . 20.0 113.234 172.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 m -64.03 168.73 4.98 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.547 -0.721 . . . . 20.0 110.945 160.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -66.95 172.47 4.43 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.438 1.095 . . . . 20.0 111.179 171.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -137.38 99.32 3.93 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.854 1.662 . . . . 20.0 108.96 176.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.55 178.19 1.71 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.073 1.749 . . . . 20.0 111.042 176.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -112.11 -19.59 12.24 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.859 1.059 . . . . 20.0 113.859 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -123.06 -17.76 6.59 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.901 1.28 . . . . 20.0 113.244 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -101.63 -16.66 16.65 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.66 1.184 . . . . 20.0 112.153 173.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.6 t -66.61 -50.7 62.15 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.97 0.805 . . . . 20.0 111.117 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.86 -20.39 64.27 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.773 0.829 . . . . 20.0 113.146 174.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 t -68.15 -27.34 66.35 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.29 1.036 . . . . 20.0 112.083 175.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 57.5 m -74.74 -11.55 60.19 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 114.11 1.152 . . . . 20.0 114.11 175.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.72 174.68 20.33 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 125.155 1.359 . . . . 20.0 112.82 174.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -66.39 112.46 4.05 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.865 1.666 . . . . 20.0 109.811 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.44 13.09 56.36 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-O 118.534 -1.148 . . . . 20.0 114.453 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -130.02 171.19 13.06 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.171 1.389 . . . . 20.0 111.446 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -147.39 166.95 25.64 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.139 1.776 . . . . 20.0 111.093 176.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 49.3 t -103.16 141.36 35.99 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.061 1.345 . . . . 20.0 110.067 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 73.5 m . . . . . 0 CA--C 1.545 0.782 0 C-N-CA 124.475 1.11 . . . . 20.0 111.261 171.169 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.3 tp . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 119.164 -0.446 . . . . 20.0 110.777 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.1 m -103.95 139.16 39.49 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.115 1.366 . . . . 20.0 109.279 -173.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.46 -1.45 64.22 Favored Glycine 0 CA--C 1.537 1.431 0 CA-C-O 118.672 -1.071 . . . . 20.0 114.037 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.2 m -136.72 -178.41 5.17 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.958 2.103 . . . . 20.0 110.244 174.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -95.09 -66.87 0.88 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.44 1.496 . . . . 20.0 110.645 176.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.15 -72.06 0.03 OUTLIER Glycine 0 C--N 1.343 0.971 0 CA-C-N 118.729 0.695 . . . . 20.0 112.843 -176.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -63.0 -23.51 67.48 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.457 1.103 . . . . 20.0 112.265 175.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 162.0 -7.8 0.09 OUTLIER Glycine 0 CA--C 1.533 1.164 0 CA-C-O 118.352 -1.249 . . . . 20.0 114.634 172.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.46 -131.45 19.49 Favored Glycine 0 CA--C 1.53 0.996 0 CA-C-N 119.818 1.809 . . . . 20.0 110.216 -172.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -135.02 132.84 38.76 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.991 1.316 . . . . 20.0 110.999 176.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.4 m -80.87 130.81 35.24 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.434 1.494 . . . . 20.0 110.879 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -133.96 160.97 66.5 Favored Pre-proline 0 CA--C 1.54 0.58 0 C-N-CA 126.924 2.089 . . . . 20.0 110.495 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.14 157.56 59.1 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.782 2.322 . . . . 20.0 111.031 172.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.4 mt -66.4 -38.65 87.98 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.193 1.397 . . . . 20.0 110.961 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -84.6 63.35 7.86 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.104 1.362 . . . . 20.0 110.646 173.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -132.32 152.3 51.47 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 125.49 1.516 . . . . 20.0 110.68 176.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -87.44 73.69 9.5 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.067 0.947 . . . . 20.0 110.166 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.8 p -158.12 172.95 17.47 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.034 1.334 . . . . 20.0 110.878 168.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.87 169.21 0.78 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.636 1.974 . . . . 20.0 112.321 -174.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -152.59 149.79 28.85 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.61 0.764 . . . . 20.0 111.055 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.9 mt -134.03 175.02 9.86 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 126.496 1.918 . . . . 20.0 109.853 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -119.05 -33.49 4.15 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.958 1.303 . . . . 20.0 111.826 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.13 -30.84 39.1 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.384 1.074 . . . . 20.0 112.569 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -105.81 -12.35 15.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.148 0.979 . . . . 20.0 113.015 -176.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.2 p -65.49 -22.87 66.78 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.284 0.947 . . . . 20.0 112.121 170.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.87 -20.75 64.28 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.858 1.663 . . . . 20.0 113.35 173.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.8 t -67.33 -39.92 85.89 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.354 1.061 . . . . 20.0 110.597 173.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 61.2 m -74.27 -20.64 60.08 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.147 1.379 . . . . 20.0 112.856 171.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.43 -136.05 12.6 Favored Glycine 0 C--N 1.341 0.816 0 C-N-CA 125.854 1.692 . . . . 20.0 111.18 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -112.03 111.12 21.82 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.146 1.778 . . . . 20.0 108.68 -178.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.33 -1.98 11.42 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.917 1.246 . . . . 20.0 114.509 176.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -140.07 169.49 17.61 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.296 1.438 . . . . 20.0 111.14 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.73 167.1 22.89 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.185 1.394 . . . . 20.0 111.651 178.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 34.8 t -85.75 144.09 27.96 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.197 0.999 . . . . 20.0 110.033 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.6 m -136.4 171.25 14.76 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.855 1.262 . . . . 20.0 112.185 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.7 m -121.94 -176.76 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 127.019 2.128 . . . . 20.0 110.62 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 2.1 p90 -135.14 -20.1 1.69 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.156 1.783 . . . . 20.0 112.834 -175.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -75.07 172.45 12.33 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.421 1.088 . . . . 20.0 112.136 176.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 . . . . . 0 C--O 1.251 1.163 0 CA-C-O 116.939 -1.505 . . . . 20.0 111.218 -174.888 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 54.1 tp . . . . . 0 N--CA 1.474 0.732 0 CA-C-O 120.376 0.131 . . . . 20.0 110.713 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.6 m -111.95 -64.31 1.31 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.283 1.433 . . . . 20.0 109.115 175.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -159.28 -152.24 6.4 Favored Glycine 0 C--N 1.339 0.731 0 C-N-CA 125.306 1.432 . . . . 20.0 111.901 -174.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.9 m -74.18 -179.84 4.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.426 1.89 . . . . 20.0 112.404 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -113.85 -10.1 13.01 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.82 1.648 . . . . 20.0 113.695 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.54 -45.65 1.26 Allowed Glycine 0 C--N 1.346 1.113 0 C-N-CA 124.988 1.28 . . . . 20.0 112.092 174.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.84 -30.1 7.42 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.896 1.278 . . . . 20.0 110.925 173.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.97 6.73 55.12 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 125.247 1.403 . . . . 20.0 114.4 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.8 159.6 13.65 Favored Glycine 0 C--N 1.342 0.91 0 C-N-CA 124.801 1.191 . . . . 20.0 112.456 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -83.13 164.34 20.3 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.154 1.382 . . . . 20.0 110.905 176.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 87.1 m -131.67 112.12 12.29 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.543 1.137 . . . . 20.0 108.832 170.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -133.85 157.83 76.87 Favored Pre-proline 0 CA--C 1.537 0.463 0 C-N-CA 126.527 1.931 . . . . 20.0 109.736 -173.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.47 157.81 60.29 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.462 2.108 . . . . 20.0 111.201 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.59 -27.09 69.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.796 1.638 . . . . 20.0 111.451 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -59.07 -25.11 63.47 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.937 2.095 . . . . 20.0 114.215 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -72.21 149.58 44.47 Favored 'General case' 0 C--N 1.344 0.338 0 C-N-CA 123.791 0.837 . . . . 20.0 110.338 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -80.19 99.78 7.97 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 108.951 -0.759 . . . . 20.0 108.951 167.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.6 m -151.36 165.93 32.57 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 126.209 1.804 . . . . 20.0 110.094 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -65.21 144.5 57.14 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.664 1.186 . . . . 20.0 109.052 169.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -127.33 99.42 5.64 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 124.161 0.985 . . . . 20.0 109.49 -176.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.52 168.03 17.14 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.598 1.559 . . . . 20.0 111.433 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -110.82 -29.2 8.07 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.892 1.071 . . . . 20.0 113.892 -173.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.91 7.19 10.38 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.948 1.699 . . . . 20.0 111.795 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -126.66 -17.57 4.99 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.55 1.54 . . . . 20.0 112.153 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.6 t -64.89 -39.7 93.95 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.925 0.89 . . . . 20.0 110.786 168.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.66 -18.22 65.25 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.154 1.382 . . . . 20.0 113.774 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.0 m -65.28 -28.74 69.54 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.124 0.969 . . . . 20.0 112.217 177.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 89.4 m -77.86 -51.63 10.15 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.722 1.209 . . . . 20.0 111.104 172.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 139.26 176.8 14.97 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 125.315 1.436 . . . . 20.0 111.652 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.88 133.83 51.75 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.559 0.744 . . . . 20.0 110.491 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.11 -0.3 87.41 Favored Glycine 0 CA--C 1.536 1.365 0 CA-C-O 118.557 -1.135 . . . . 20.0 114.586 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -126.02 165.29 19.07 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.9 1.35 . . . . 20.0 110.3 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -139.63 177.28 8.05 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.837 1.655 . . . . 20.0 110.946 174.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.3 t -120.37 108.76 14.52 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 124.291 1.036 . . . . 20.0 110.584 -176.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.4 t -78.98 167.5 21.03 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.28 1.432 . . . . 20.0 111.182 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.3 m -130.37 146.57 33.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 125.302 1.441 . . . . 20.0 109.522 170.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 3.6 p90 -75.17 -14.73 60.57 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.04 1.336 . . . . 20.0 112.793 173.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 41.75 72.1 0.18 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 128.384 2.674 . . . . 20.0 111.771 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.098 0 CA-C-O 116.463 -1.732 . . . . 20.0 112.927 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 118.756 -0.64 . . . . 20.0 112.686 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.9 t -113.22 167.74 10.3 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.74 1.616 . . . . 20.0 110.58 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.26 108.47 0.24 Allowed Glycine 0 C--N 1.343 0.927 0 CA-C-O 120.038 -0.312 . . . . 20.0 113.158 -175.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.4 t -53.53 -46.22 70.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.549 1.94 . . . . 20.0 112.906 174.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.04 -32.84 1.38 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.412 1.085 . . . . 20.0 113.405 174.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 148.38 0.24 0.53 Allowed Glycine 0 CA--C 1.536 1.387 0 CA-C-O 117.977 -1.457 . . . . 20.0 116.024 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -123.21 -54.47 1.8 Allowed 'General case' 0 C--N 1.345 0.396 0 CA-C-N 119.685 1.742 . . . . 20.0 110.301 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.97 -49.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 C-N-CA 125.325 1.441 . . . . 20.0 110.733 172.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 127.17 -172.46 18.61 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 125.871 1.701 . . . . 20.0 111.562 -178.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -135.62 167.55 20.9 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.447 1.099 . . . . 20.0 109.929 169.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.1 m -121.3 66.13 0.88 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.126 1.37 . . . . 20.0 109.717 -171.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -72.73 156.22 90.17 Favored Pre-proline 0 CA--C 1.539 0.556 0 C-N-CA 124.866 1.266 . . . . 20.0 111.09 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.38 157.12 53.81 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 123.301 2.668 . . . . 20.0 110.507 173.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.3 mt -61.72 -34.51 75.93 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.738 1.215 . . . . 20.0 112.168 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -62.78 -13.73 36.67 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.15 1.38 . . . . 20.0 114.073 177.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.8 tpt85 -66.56 134.51 52.52 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 124.302 1.041 . . . . 20.0 110.201 173.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -72.88 86.53 1.28 Allowed 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.096 0.958 . . . . 20.0 109.598 169.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.7 t -158.29 173.82 16.09 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.828 1.651 . . . . 20.0 110.109 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -70.94 174.53 6.05 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.87 1.268 . . . . 20.0 111.16 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -139.91 152.83 46.71 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.066 1.746 . . . . 20.0 109.773 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt -127.38 -174.72 3.24 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.315 1.846 . . . . 20.0 109.754 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -129.4 -36.18 1.7 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.81 1.244 . . . . 20.0 112.478 177.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.15 -46.72 27.24 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.062 0.945 . . . . 20.0 110.805 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -83.32 -25.77 31.2 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.31 0.644 . . . . 20.0 111.803 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.3 t -76.03 -1.31 25.2 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.476 1.111 . . . . 20.0 112.509 172.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.27 14.14 32.77 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.984 1.714 . . . . 20.0 111.97 172.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 t -128.49 13.36 6.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.748 1.619 . . . . 20.0 113.763 -171.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.6 m -128.81 -16.28 4.21 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 115.117 1.525 . . . . 20.0 115.117 -170.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 124.74 -125.55 5.75 Favored Glycine 0 C--N 1.345 1.029 0 C-N-CA 124.978 1.275 . . . . 20.0 112.274 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -135.07 149.08 50.03 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.871 1.669 . . . . 20.0 109.971 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.47 19.42 76.2 Favored Glycine 0 CA--C 1.537 1.409 0 CA-C-O 118.919 -0.934 . . . . 20.0 114.131 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -122.79 174.21 7.27 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.195 1.798 . . . . 20.0 112.222 -170.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.37 169.06 25.46 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.034 1.734 . . . . 20.0 110.327 161.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 11.5 t -93.62 110.42 22.03 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 122.832 0.453 . . . . 20.0 110.022 173.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 36.1 t -80.73 134.48 35.84 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.36 1.064 . . . . 20.0 110.347 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.0 m -118.08 141.99 34.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 126.562 1.945 . . . . 20.0 108.804 174.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -69.87 -33.52 72.36 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.772 0.829 . . . . 20.0 112.268 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 pp -79.67 170.08 17.06 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.738 1.615 . . . . 20.0 111.487 176.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 64.5 t60 . . . . . 0 C--O 1.251 1.151 0 CA-C-O 117.04 -1.457 . . . . 20.0 111.119 176.933 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.2 tp . . . . . 0 N--CA 1.474 0.736 0 CA-C-O 119.35 -0.357 . . . . 20.0 110.76 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.1 m -112.32 -25.86 9.04 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.521 1.128 . . . . 20.0 111.865 -174.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.34 -30.28 0.24 Allowed Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.394 0.997 . . . . 20.0 114.162 168.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 55.4 m -143.77 174.55 10.71 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.33 1.452 . . . . 20.0 111.195 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -134.16 -11.79 2.52 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.585 1.554 . . . . 20.0 112.938 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.5 -23.42 31.56 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 126.243 1.877 . . . . 20.0 113.559 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -135.44 -20.41 1.61 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.977 1.311 . . . . 20.0 112.943 175.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.04 -5.82 71.83 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.686 1.136 . . . . 20.0 113.893 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.37 -173.77 13.26 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 127.175 2.321 . . . . 20.0 110.485 176.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -129.59 143.0 50.63 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.809 0.844 . . . . 20.0 111.743 -170.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.8 m -85.49 91.58 8.27 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 126.068 1.747 . . . . 20.0 109.348 174.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -96.81 161.6 25.93 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 126.062 1.745 . . . . 20.0 109.653 177.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -64.91 164.21 25.47 Favored 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 122.42 2.08 . . . . 20.0 112.138 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -62.08 -31.13 71.53 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.749 1.22 . . . . 20.0 111.05 173.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -60.6 -17.85 49.21 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.474 2.31 . . . . 20.0 114.279 173.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.76 137.12 57.6 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 124.744 1.218 . . . . 20.0 110.396 177.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -82.19 80.18 8.48 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.022 -0.733 . . . . 20.0 109.022 167.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.6 p -149.85 173.99 13.15 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.953 1.301 . . . . 20.0 111.127 174.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -68.67 165.26 19.77 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.26 1.024 . . . . 20.0 111.316 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -137.67 155.88 48.64 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.749 1.22 . . . . 20.0 110.254 -174.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.4 mt -126.01 -175.69 3.43 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.434 1.894 . . . . 20.0 110.296 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -125.39 -39.51 2.18 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 124.827 1.251 . . . . 20.0 112.15 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.84 -46.92 27.79 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.336 1.055 . . . . 20.0 110.785 172.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -87.46 -29.23 21.56 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 123.481 0.712 . . . . 20.0 112.651 -173.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.4 t -65.91 -34.25 77.7 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.434 0.694 . . . . 20.0 110.842 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.86 -34.28 77.45 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.754 1.222 . . . . 20.0 112.361 171.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.3 m -71.26 -29.0 64.56 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.266 1.026 . . . . 20.0 113.021 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 40.3 m -71.43 -12.44 61.41 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.247 1.203 . . . . 20.0 114.247 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.48 157.72 33.95 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 125.098 1.332 . . . . 20.0 112.073 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.07 101.64 3.96 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.57 1.148 . . . . 20.0 110.047 -171.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 132.84 -8.84 5.2 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 126.414 1.959 . . . . 20.0 113.161 -173.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.8 mp0 -134.6 161.05 36.18 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.465 1.506 . . . . 20.0 110.902 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -139.49 165.52 27.01 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.843 2.457 . . . . 20.0 110.208 178.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 11.5 t -98.0 112.37 24.33 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.126 0.57 . . . . 20.0 110.425 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 70.4 m -71.75 155.8 40.05 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.73 0.812 . . . . 20.0 110.558 170.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.7 m -66.11 141.5 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 123.219 0.608 . . . . 20.0 109.637 163.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 2.1 p90 -72.03 -18.28 61.97 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.15 0.98 . . . . 20.0 112.273 172.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.26 103.41 1.24 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.263 1.825 . . . . 20.0 109.53 -177.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.3 t60 . . . . . 0 C--O 1.263 1.803 0 C-N-CA 125.08 1.352 . . . . 20.0 111.141 -176.199 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.0 tp . . . . . 0 N--CA 1.467 0.399 0 N-CA-C 110.781 -0.081 . . . . 20.0 110.781 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.8 m -100.56 -32.64 10.67 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.969 1.307 . . . . 20.0 111.283 173.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.93 4.68 1.51 Allowed Glycine 0 CA--C 1.534 1.228 0 N-CA-C 116.113 1.205 . . . . 20.0 116.113 169.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.4 m -152.67 -171.49 3.95 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.317 1.847 . . . . 20.0 108.653 173.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -55.97 -21.85 23.31 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.826 1.25 . . . . 20.0 114.172 176.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.85 -32.38 2.13 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 125.518 1.532 . . . . 20.0 112.538 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -77.86 -15.4 59.07 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.247 1.419 . . . . 20.0 113.094 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.53 -30.6 1.94 Allowed Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.687 1.613 . . . . 20.0 113.956 -178.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.17 -141.46 37.49 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 126.046 1.784 . . . . 20.0 112.067 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -133.67 154.84 50.61 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.657 1.583 . . . . 20.0 109.987 169.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.7 m -80.96 89.26 5.89 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.675 1.19 . . . . 20.0 109.471 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -84.77 155.69 61.6 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 124.851 1.26 . . . . 20.0 110.725 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.21 155.73 63.77 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.575 2.183 . . . . 20.0 110.528 176.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.09 -33.64 76.23 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.259 1.024 . . . . 20.0 111.914 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -64.23 -16.31 61.78 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.616 1.567 . . . . 20.0 114.031 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 -66.14 160.42 24.1 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.144 0.978 . . . . 20.0 110.233 171.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -105.75 108.28 19.71 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.869 1.267 . . . . 20.0 108.81 172.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.1 -175.14 4.7 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.699 1.199 . . . . 20.0 111.465 178.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -55.32 -52.41 63.56 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.793 1.637 . . . . 20.0 111.706 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 60.46 98.1 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 128.159 2.584 . . . . 20.0 112.783 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.1 mt -72.29 172.04 11.03 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.389 1.076 . . . . 20.0 111.111 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -117.2 -41.95 2.95 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 124.539 1.135 . . . . 20.0 112.382 -176.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.64 -17.81 32.91 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.814 0.845 . . . . 20.0 112.177 173.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -116.86 -6.48 11.49 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.466 1.106 . . . . 20.0 112.539 -168.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.5 p -63.57 -33.26 75.2 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.405 0.682 . . . . 20.0 111.682 162.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.67 -9.69 57.68 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.701 1.601 . . . . 20.0 114.027 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.3 t -65.13 -45.09 86.5 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.026 0.93 . . . . 20.0 110.938 172.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 36.5 m -70.8 -12.85 61.8 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.77 1.228 . . . . 20.0 113.166 171.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.43 179.3 38.14 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 125.559 1.552 . . . . 20.0 112.961 176.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -61.48 118.06 6.52 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.698 1.599 . . . . 20.0 110.595 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.49 -2.0 39.7 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.962 1.267 . . . . 20.0 114.969 174.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -128.64 170.32 13.39 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.238 1.415 . . . . 20.0 110.16 178.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -139.42 168.18 20.41 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.738 0.815 . . . . 20.0 113.062 176.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.3 t -92.23 134.1 35.2 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 125.278 1.431 . . . . 20.0 109.563 175.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 67.6 m -138.3 154.73 49.01 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.018 1.727 . . . . 20.0 109.771 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.9 m -137.43 132.78 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 C-N-CA 125.669 1.587 . . . . 20.0 110.145 175.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -61.43 -18.06 57.13 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.502 1.521 . . . . 20.0 114.022 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.1 tt -68.1 -34.61 76.7 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.093 1.357 . . . . 20.0 112.065 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.5 t60 . . . . . 0 C--O 1.247 0.94 0 C-N-CA 124.662 1.185 . . . . 20.0 109.669 -173.598 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.2 tp . . . . . 0 N--CA 1.468 0.472 0 CA-C-O 120.659 0.266 . . . . 20.0 111.381 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.8 t -82.02 171.04 14.86 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.323 1.449 . . . . 20.0 111.295 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.08 104.27 1.47 Allowed Glycine 0 CA--C 1.528 0.9 0 C-N-CA 124.593 1.092 . . . . 20.0 111.119 175.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 32.3 m -63.96 -28.88 70.12 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 125.014 1.326 . . . . 20.0 114.466 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -54.37 -31.3 54.42 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.389 1.476 . . . . 20.0 112.772 175.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.31 -34.19 29.93 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-O 119.141 -0.811 . . . . 20.0 113.426 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -73.45 -40.28 64.3 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.285 1.434 . . . . 20.0 112.242 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 130.16 1.63 5.26 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.472 1.51 . . . . 20.0 113.636 -172.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -88.03 -178.71 47.41 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 125.438 1.494 . . . . 20.0 112.525 174.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -134.45 166.75 22.13 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.384 1.473 . . . . 20.0 110.837 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.2 m -114.94 118.68 34.14 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.751 1.621 . . . . 20.0 109.376 175.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -144.05 160.98 47.58 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 126.445 1.898 . . . . 20.0 109.711 -168.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -69.01 162.19 42.7 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.343 2.029 . . . . 20.0 111.605 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.3 mt -61.2 -33.94 74.27 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.444 1.498 . . . . 20.0 111.837 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -58.66 -23.1 58.61 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.493 1.917 . . . . 20.0 114.048 176.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -63.38 151.15 41.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.311 1.044 . . . . 20.0 111.191 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -91.2 83.94 5.6 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.503 1.121 . . . . 20.0 110.002 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.0 t -160.91 178.67 9.17 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.793 1.237 . . . . 20.0 111.554 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -61.83 159.02 14.61 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.987 1.715 . . . . 20.0 110.782 173.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -136.77 107.01 6.38 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.936 1.694 . . . . 20.0 109.393 -178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.1 mt -79.2 -176.86 5.37 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.06 1.344 . . . . 20.0 111.489 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -124.76 -41.21 2.14 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.459 1.104 . . . . 20.0 111.995 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.79 -38.14 33.71 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.714 0.806 . . . . 20.0 112.009 176.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -100.02 -13.04 19.23 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.787 0.835 . . . . 20.0 112.781 -176.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.7 t -65.78 -44.53 85.52 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.55 0.74 . . . . 20.0 110.758 172.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.59 -23.88 64.52 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.215 1.006 . . . . 20.0 112.861 173.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.4 t -70.11 -30.46 67.67 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.038 0.935 . . . . 20.0 112.112 177.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 93.8 m -68.15 -61.06 2.03 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 123.846 0.858 . . . . 20.0 109.987 167.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.89 -179.74 29.1 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 123.873 0.749 . . . . 20.0 112.476 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -63.83 141.82 58.63 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.087 0.955 . . . . 20.0 110.367 170.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.78 10.56 58.64 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.308 0.956 . . . . 20.0 113.939 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -128.37 166.51 18.55 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 125.307 1.443 . . . . 20.0 110.418 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -145.72 174.95 10.76 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.612 1.565 . . . . 20.0 110.374 173.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 14.8 t -109.46 127.39 54.38 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 123.891 0.876 . . . . 20.0 110.335 173.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 40.9 t -94.5 150.43 20.26 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.839 1.656 . . . . 20.0 110.676 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.7 m -74.07 -179.87 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 125.588 1.555 . . . . 20.0 111.517 170.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -126.93 -58.33 1.3 Allowed 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 125.62 1.568 . . . . 20.0 109.523 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.6 mt 54.79 4.42 0.07 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 128.084 2.553 . . . . 20.0 115.462 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 38.7 t60 . . . . . 0 C--O 1.253 1.252 0 C-N-CA 125.471 1.508 . . . . 20.0 111.74 -167.336 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 pt? . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 113.749 1.018 . . . . 20.0 113.749 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.9 p -99.28 -174.68 2.8 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 126.978 2.111 . . . . 20.0 111.061 174.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -167.13 108.17 0.3 Allowed Glycine 0 C--N 1.342 0.891 0 N-CA-C 108.295 -1.922 . . . . 20.0 108.295 176.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.3 m 54.62 -175.5 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 126.284 1.834 . . . . 20.0 112.352 -173.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -61.01 -50.88 71.56 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.695 1.198 . . . . 20.0 112.42 -178.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.36 15.47 3.92 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 126.522 2.01 . . . . 20.0 112.058 -176.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt 59.79 22.36 11.24 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.39 1.876 . . . . 20.0 115.027 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.13 16.18 5.95 Favored Glycine 0 CA--C 1.542 1.733 0 C-N-CA 125.803 1.668 . . . . 20.0 113.91 169.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.69 -173.01 35.39 Favored Glycine 0 C--N 1.34 0.784 0 C-N-CA 126.189 1.852 . . . . 20.0 110.639 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -129.72 159.78 35.4 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.886 1.275 . . . . 20.0 111.542 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.8 m -77.9 92.95 4.32 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.087 1.355 . . . . 20.0 109.084 171.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -98.5 164.54 16.88 Favored Pre-proline 0 CA--C 1.538 0.507 0 C-N-CA 126.835 2.054 . . . . 20.0 109.883 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -66.18 160.51 44.54 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.386 2.057 . . . . 20.0 111.143 176.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.1 mt -63.0 -32.83 74.28 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.2 1.4 . . . . 20.0 111.752 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -68.48 -9.32 48.08 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.946 1.699 . . . . 20.0 114.539 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -66.92 148.19 52.27 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.138 0.881 . . . . 20.0 112.131 -173.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -78.69 75.79 5.2 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.185 1.394 . . . . 20.0 109.756 173.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -161.26 179.77 8.07 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.934 1.694 . . . . 20.0 109.949 175.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -65.98 167.78 9.22 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.477 1.111 . . . . 20.0 111.62 172.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -135.53 151.97 50.85 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 127.094 2.157 . . . . 20.0 109.084 176.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.9 mt -128.17 179.78 5.42 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.508 1.123 . . . . 20.0 109.176 177.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -119.84 -45.5 2.48 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.64 1.176 . . . . 20.0 111.371 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.56 -39.47 45.7 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.887 0.475 . . . . 20.0 111.35 175.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -86.56 -21.63 26.77 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 122.551 0.341 . . . . 20.0 111.626 -176.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.9 t -69.67 -38.29 77.0 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.344 0.658 . . . . 20.0 110.758 171.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.66 66.32 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.515 0.726 . . . . 20.0 112.543 170.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t -69.83 -34.38 73.57 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.742 0.701 . . . . 20.0 111.776 173.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 57.0 m -69.41 -8.74 49.32 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.24 1.016 . . . . 20.0 113.504 169.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 100.77 -113.39 4.68 Favored Glycine 0 C--N 1.341 0.824 0 C-N-CA 125.431 1.491 . . . . 20.0 110.865 174.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -133.5 145.38 50.12 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 126.315 1.846 . . . . 20.0 110.071 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.02 1.66 56.62 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 124.917 1.246 . . . . 20.0 114.919 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -131.82 159.87 37.29 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 125.093 1.357 . . . . 20.0 110.415 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -137.93 169.27 18.08 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.351 1.86 . . . . 20.0 111.501 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 47.3 t -114.62 119.97 38.56 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.039 1.335 . . . . 20.0 108.639 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 17.4 t -81.02 153.2 27.54 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 122.63 0.372 . . . . 20.0 110.424 171.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.5 m -72.16 154.7 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 123.946 0.899 . . . . 20.0 110.453 173.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -67.6 -35.8 79.64 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.973 1.309 . . . . 20.0 112.22 177.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 tt -162.54 110.65 1.34 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.916 1.687 . . . . 20.0 107.688 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.5 t60 . . . . . 0 C--O 1.252 1.189 0 C-N-CA 124.772 1.229 . . . . 20.0 111.2 -178.649 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 113.24 0.83 . . . . 20.0 113.24 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.8 m -128.86 149.96 50.54 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.802 1.641 . . . . 20.0 109.352 -174.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 166.19 157.33 10.08 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 122.093 0.829 . . . . 20.0 113.323 172.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 25.2 p -116.88 172.32 7.32 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 128.105 2.562 . . . . 20.0 110.431 172.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt 63.9 9.89 4.85 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.743 2.017 . . . . 20.0 115.206 176.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.35 -52.81 0.03 OUTLIER Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.92 1.248 . . . . 20.0 111.505 174.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -73.31 -71.21 0.32 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.417 1.087 . . . . 20.0 111.571 -176.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -160.37 -0.67 0.07 OUTLIER Glycine 0 CA--C 1.532 1.141 0 CA-C-O 118.811 -0.994 . . . . 20.0 115.38 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.11 171.14 29.52 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-N 118.838 1.319 . . . . 20.0 112.396 179.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -143.36 171.04 14.66 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.279 1.432 . . . . 20.0 111.058 176.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.4 m -68.95 116.32 9.28 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.86 1.264 . . . . 20.0 109.638 167.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -115.1 158.53 40.74 Favored Pre-proline 0 CA--C 1.539 0.541 0 C-N-CA 125.648 1.579 . . . . 20.0 110.279 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.72 149.14 66.78 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.88 2.387 . . . . 20.0 109.985 174.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.42 -30.07 70.96 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.337 1.455 . . . . 20.0 112.162 -175.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -60.72 -19.59 59.18 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.714 1.606 . . . . 20.0 114.161 172.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.05 126.53 30.18 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 119.206 0.912 . . . . 20.0 109.355 173.252 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -83.51 97.04 8.8 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 108.265 -1.013 . . . . 20.0 108.265 166.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.7 t -140.25 -83.73 0.23 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.357 1.463 . . . . 20.0 108.571 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -150.77 167.19 28.16 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.446 1.499 . . . . 20.0 109.156 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -154.63 145.44 22.48 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.604 1.161 . . . . 20.0 109.341 171.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.0 mt -132.09 -179.59 5.51 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.972 1.709 . . . . 20.0 109.953 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -116.4 -35.53 4.26 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.835 1.254 . . . . 20.0 111.994 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.07 -27.41 28.3 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.354 1.062 . . . . 20.0 112.454 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -109.5 -15.47 14.2 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.658 0.783 . . . . 20.0 112.951 -170.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 84.9 p -67.42 -29.13 68.54 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.481 0.582 . . . . 20.0 111.687 167.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.94 -21.34 65.11 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.51 1.524 . . . . 20.0 112.879 175.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.9 t -67.64 -38.52 83.97 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 123.931 0.892 . . . . 20.0 111.053 173.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 83.3 m -77.88 -16.66 58.08 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.909 1.284 . . . . 20.0 112.977 173.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.94 -125.35 8.44 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.635 1.588 . . . . 20.0 111.319 175.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -123.46 107.92 12.11 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.622 1.569 . . . . 20.0 109.536 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 125.86 -8.82 7.64 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 125.373 1.463 . . . . 20.0 114.134 176.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -139.87 166.34 24.88 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.552 1.541 . . . . 20.0 110.222 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.88 169.84 16.82 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.84 1.256 . . . . 20.0 112.278 -174.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 24.5 t -79.43 138.29 37.55 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.499 1.12 . . . . 20.0 109.72 175.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.7 t -132.61 136.67 46.67 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.693 1.597 . . . . 20.0 109.365 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.0 m -70.38 170.81 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 125.611 1.564 . . . . 20.0 112.411 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 63.8 p-90 -114.05 -17.42 11.95 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.205 1.802 . . . . 20.0 112.259 176.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.9 mt -63.06 144.13 57.17 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.19 0.996 . . . . 20.0 110.245 170.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 39.2 m80 . . . . . 0 C--O 1.242 0.692 0 C-N-CA 124.765 1.226 . . . . 20.0 110.525 178.218 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 pp . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 113.407 0.891 . . . . 20.0 113.407 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.9 t -125.5 171.71 10.28 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.135 1.374 . . . . 20.0 111.369 -175.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.0 142.96 13.67 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 126.266 1.889 . . . . 20.0 111.343 -176.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 72.3 m -62.95 -51.14 68.04 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.068 0.947 . . . . 20.0 109.854 171.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -26.51 65.97 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.734 1.214 . . . . 20.0 113.052 175.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.2 -7.58 60.29 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 125.697 1.617 . . . . 20.0 114.389 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -128.06 -38.65 1.8 Allowed 'General case' 0 C--N 1.344 0.331 0 C-N-CA 125.14 1.376 . . . . 20.0 112.141 176.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 142.95 -0.06 1.31 Allowed Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.778 1.18 . . . . 20.0 114.778 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.48 -177.35 48.44 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.965 1.269 . . . . 20.0 111.752 174.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -134.91 146.33 49.07 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 124.091 0.957 . . . . 20.0 111.004 173.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.3 m -71.28 139.13 49.87 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.427 1.091 . . . . 20.0 109.878 167.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -143.34 163.55 36.45 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 127.586 2.354 . . . . 20.0 109.615 -177.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.44 162.45 41.86 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.329 2.019 . . . . 20.0 111.324 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -61.16 -34.73 75.48 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.893 1.277 . . . . 20.0 110.74 173.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -80.1 54.32 1.91 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.769 2.428 . . . . 20.0 111.508 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -135.21 157.6 46.51 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 124.553 1.141 . . . . 20.0 112.227 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -84.31 8.88 14.58 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.848 1.659 . . . . 20.0 114.591 175.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 25.5 m -69.59 160.36 31.68 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.117 0.967 . . . . 20.0 111.904 171.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -83.39 100.89 10.98 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.868 1.667 . . . . 20.0 108.84 174.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -66.12 119.22 11.05 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.778 1.631 . . . . 20.0 111.036 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 86.6 mt -76.15 179.69 5.53 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.531 1.532 . . . . 20.0 111.625 173.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -116.91 -40.6 3.12 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.263 1.025 . . . . 20.0 112.236 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.51 -40.4 21.08 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.421 1.088 . . . . 20.0 111.409 177.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -96.23 -14.69 22.5 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.978 0.733 . . . . 20.0 112.978 -168.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.3 m -67.96 -40.75 83.13 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.551 0.74 . . . . 20.0 111.129 173.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.99 -16.58 64.11 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.023 0.929 . . . . 20.0 113.151 173.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.3 t -69.0 -36.17 77.51 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.924 0.89 . . . . 20.0 112.425 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 73.8 m -66.01 -40.06 90.78 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 124.254 1.022 . . . . 20.0 111.724 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.16 -174.64 19.51 Favored Glycine 0 C--O 1.224 -0.528 0 C-N-CA 125.814 1.673 . . . . 20.0 112.961 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -66.49 127.67 33.21 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.878 1.671 . . . . 20.0 110.357 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.35 5.55 87.02 Favored Glycine 0 CA--C 1.534 1.279 0 CA-C-O 118.462 -1.188 . . . . 20.0 115.09 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -137.96 156.04 48.27 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.828 1.651 . . . . 20.0 110.363 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.54 179.91 6.54 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.542 1.537 . . . . 20.0 111.17 -174.431 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.5 t -112.92 168.91 9.3 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.201 1.0 . . . . 20.0 112.246 -174.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 35.8 t -137.01 141.36 42.51 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.741 1.616 . . . . 20.0 110.695 -176.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.2 m -70.42 171.79 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 126.078 1.751 . . . . 20.0 112.504 176.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 2.1 p90 -118.77 -17.66 9.13 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.578 1.951 . . . . 20.0 112.573 -178.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.4 mt -72.27 102.61 3.14 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 124.191 0.996 . . . . 20.0 109.892 174.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 55.9 m170 . . . . . 0 C--O 1.259 1.554 0 C-N-CA 125.639 1.576 . . . . 20.0 110.865 175.781 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.0 tp . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 120.828 0.347 . . . . 20.0 110.681 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.4 t -127.1 153.7 45.66 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.395 1.478 . . . . 20.0 109.623 166.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.06 -62.16 0.17 Allowed Glycine 0 CA--C 1.525 0.67 0 CA-C-O 118.927 -0.929 . . . . 20.0 112.255 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.6 t -57.5 -77.1 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.787 1.235 . . . . 20.0 110.86 -174.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -68.93 -15.05 63.39 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.724 1.61 . . . . 20.0 112.607 171.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.93 -11.0 49.29 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.046 1.307 . . . . 20.0 114.322 173.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -126.07 -56.82 1.43 Allowed 'General case' 0 C--N 1.345 0.407 0 C-N-CA 125.138 1.375 . . . . 20.0 111.096 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.33 9.22 0.03 OUTLIER Glycine 0 CA--C 1.533 1.218 0 CA-C-O 118.692 -1.06 . . . . 20.0 115.576 -173.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.34 174.31 41.63 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-N 118.68 1.24 . . . . 20.0 113.026 -177.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -136.94 145.6 44.44 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 125.108 1.363 . . . . 20.0 110.295 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 98.5 m -85.07 81.77 8.73 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.245 1.418 . . . . 20.0 109.304 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -75.16 158.25 84.28 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 125.556 1.543 . . . . 20.0 110.04 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -68.6 160.32 49.86 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.359 2.039 . . . . 20.0 110.941 177.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.29 -32.53 73.27 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.789 1.236 . . . . 20.0 111.584 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.1 -17.56 63.54 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.445 1.898 . . . . 20.0 113.755 175.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -68.46 123.86 21.97 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 124.427 1.091 . . . . 20.0 111.429 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -78.64 81.22 4.97 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.615 1.166 . . . . 20.0 110.361 173.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.0 p -150.18 -175.48 5.08 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.281 2.232 . . . . 20.0 109.096 167.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -59.49 155.05 15.89 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.872 0.869 . . . . 20.0 110.878 176.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -144.31 112.52 6.41 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.696 1.598 . . . . 20.0 109.131 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -72.61 174.4 7.59 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.981 1.712 . . . . 20.0 109.981 172.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -118.94 -48.3 2.46 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.026 0.93 . . . . 20.0 111.785 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.62 -38.2 26.37 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.466 0.706 . . . . 20.0 111.158 175.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -79.44 -23.81 42.87 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.628 0.771 . . . . 20.0 112.447 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.5 t -65.38 -30.94 71.81 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.749 1.22 . . . . 20.0 112.131 174.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.64 -15.6 63.57 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.245 0.832 . . . . 20.0 113.245 175.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.2 m -66.63 -31.84 72.78 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.75 0.82 . . . . 20.0 111.427 173.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 97.6 m -76.06 -9.89 58.98 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.46 1.504 . . . . 20.0 113.598 173.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.36 -115.52 4.73 Favored Glycine 0 C--N 1.339 0.73 0 C-N-CA 125.467 1.508 . . . . 20.0 110.523 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -131.47 158.37 41.03 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.865 1.666 . . . . 20.0 111.369 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.14 -16.98 6.54 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.587 1.565 . . . . 20.0 114.695 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -129.18 164.26 23.79 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.384 1.874 . . . . 20.0 109.405 177.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.66 165.22 29.38 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.521 1.529 . . . . 20.0 111.508 -178.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 36.8 t -74.08 145.46 44.4 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.544 0.738 . . . . 20.0 110.393 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 52.7 t -145.29 152.01 39.24 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.353 1.461 . . . . 20.0 110.135 -177.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.1 m -68.19 174.96 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 126.009 1.724 . . . . 20.0 112.174 177.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -122.91 -23.97 4.89 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.275 1.83 . . . . 20.0 112.44 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -127.91 -69.79 0.72 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.066 1.347 . . . . 20.0 111.237 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 15.5 m170 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 117.316 -1.326 . . . . 20.0 110.902 -172.622 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 112.704 0.631 . . . . 20.0 112.704 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.6 p -81.13 173.97 12.03 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.875 1.27 . . . . 20.0 112.072 -178.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -133.91 -114.88 1.52 Allowed Glycine 0 CA--C 1.532 1.096 0 C-N-CA 125.253 1.406 . . . . 20.0 110.501 177.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 90.4 m -132.29 167.29 20.11 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.181 1.393 . . . . 20.0 110.912 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -127.98 -21.35 3.67 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.717 1.607 . . . . 20.0 112.95 -172.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.19 -20.25 7.16 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.093 1.33 . . . . 20.0 114.885 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -71.2 -47.94 54.47 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 118.654 1.227 . . . . 20.0 111.508 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -141.15 8.44 2.68 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 125.27 1.414 . . . . 20.0 114.269 -174.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.03 174.37 40.62 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 118.259 1.029 . . . . 20.0 112.244 173.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -134.21 139.71 45.99 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.914 0.886 . . . . 20.0 111.799 -175.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.03 144.28 36.77 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.214 -1.357 . . . . 20.0 109.367 164.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -144.43 165.11 24.79 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 126.574 1.95 . . . . 20.0 109.841 -175.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.91 165.14 33.23 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 122.488 2.125 . . . . 20.0 110.708 171.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.5 mt -64.54 -32.36 73.98 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.711 1.205 . . . . 20.0 111.101 172.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -66.44 -12.77 58.95 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.131 1.772 . . . . 20.0 113.958 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.1 tpt85 -65.94 132.72 49.29 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.594 1.158 . . . . 20.0 110.055 175.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -73.29 79.37 1.33 Allowed 'General case' 0 C--N 1.344 0.329 0 C-N-CA 124.902 1.281 . . . . 20.0 109.819 170.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.9 t -159.8 174.94 13.73 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.255 1.422 . . . . 20.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -67.22 176.67 2.11 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.435 1.894 . . . . 20.0 112.153 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -140.1 157.79 45.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.277 1.831 . . . . 20.0 109.76 176.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.6 mt -133.21 -179.7 5.66 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.306 1.842 . . . . 20.0 110.141 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -120.3 -37.59 3.03 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.84 1.256 . . . . 20.0 112.292 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.63 -44.54 23.64 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.014 0.926 . . . . 20.0 111.062 173.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -88.69 -15.86 33.77 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.82 0.674 . . . . 20.0 112.82 -174.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.0 p -71.4 -23.99 61.97 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.771 0.714 . . . . 20.0 111.893 171.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.7 -24.75 58.81 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.252 1.021 . . . . 20.0 111.894 171.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.5 m -71.04 -28.75 64.61 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 124.19 0.996 . . . . 20.0 111.846 174.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.7 m -65.85 -60.17 3.13 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.692 0.797 . . . . 20.0 109.346 161.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.92 -98.68 0.33 Allowed Glycine 0 C--N 1.344 0.974 0 C-N-CA 125.797 1.665 . . . . 20.0 110.024 -176.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.8 158.2 43.85 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 127.61 2.364 . . . . 20.0 111.325 -176.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.34 10.37 47.77 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.806 1.193 . . . . 20.0 114.217 -176.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -145.83 172.84 12.73 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.003 1.721 . . . . 20.0 110.741 -166.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -154.29 159.53 41.29 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.07 1.748 . . . . 20.0 110.628 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.0 t -75.18 166.76 23.14 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 122.194 -0.316 . . . . 20.0 110.33 169.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 38.7 t -140.82 140.44 34.68 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.952 1.301 . . . . 20.0 110.095 176.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.5 m -65.72 158.78 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 125.177 1.391 . . . . 20.0 111.236 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -84.46 -26.11 28.45 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.847 1.259 . . . . 20.0 111.957 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.1 pp -76.43 168.15 20.58 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.764 1.225 . . . . 20.0 111.97 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.9 p80 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 116.904 -1.522 . . . . 20.0 111.905 178.52 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.4 tp . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 119.315 -0.374 . . . . 20.0 110.118 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.1 p -144.71 157.14 44.31 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.333 1.853 . . . . 20.0 110.008 -178.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -119.0 -34.85 1.0 Allowed Glycine 0 CA--C 1.53 1.0 0 C-N-CA 125.198 1.38 . . . . 20.0 112.009 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.9 m -91.77 173.2 7.99 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.962 1.705 . . . . 20.0 110.597 171.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -135.98 -18.08 1.6 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.518 1.927 . . . . 20.0 112.996 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.1 -13.02 67.38 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-O 118.629 -1.095 . . . . 20.0 114.624 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -98.69 -57.65 2.14 Favored 'General case' 0 C--N 1.344 0.326 0 C-N-CA 125.462 1.505 . . . . 20.0 109.669 175.78 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.62 0.33 43.78 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.389 0.995 . . . . 20.0 113.956 176.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -138.98 139.67 10.34 Favored Glycine 0 C--N 1.34 0.774 0 C-N-CA 125.783 1.658 . . . . 20.0 111.189 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -139.77 175.36 9.64 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.72 2.008 . . . . 20.0 110.432 174.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.7 m -62.54 105.85 0.69 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.187 0.995 . . . . 20.0 109.576 165.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -129.31 158.9 71.7 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 126.237 1.815 . . . . 20.0 109.985 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -70.88 156.93 59.52 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 122.569 2.18 . . . . 20.0 111.668 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.3 -32.87 72.72 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.928 1.691 . . . . 20.0 112.202 172.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -81.3 50.36 1.43 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.964 1.706 . . . . 20.0 111.843 174.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.9 tpp85 -131.38 151.68 51.31 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.336 1.454 . . . . 20.0 110.909 174.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -74.24 68.89 1.52 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.749 2.02 . . . . 20.0 112.853 176.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.4 t -154.72 171.72 19.09 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.423 -0.798 . . . . 20.0 112.44 173.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -70.54 165.98 21.55 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.002 1.721 . . . . 20.0 112.264 -177.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -134.96 114.41 12.47 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.586 1.954 . . . . 20.0 110.283 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.1 mt -80.0 177.64 8.79 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.424 1.489 . . . . 20.0 111.412 166.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -111.95 -46.95 3.17 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.553 1.541 . . . . 20.0 111.561 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.83 -43.45 71.96 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.906 0.883 . . . . 20.0 111.074 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -84.66 -6.95 59.39 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.829 0.852 . . . . 20.0 113.271 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.1 t -59.38 -32.09 69.82 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.402 1.001 . . . . 20.0 112.067 174.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.77 -10.67 57.95 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.168 1.387 . . . . 20.0 114.217 176.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.6 t -62.41 -50.54 71.11 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 125.171 1.388 . . . . 20.0 112.818 -170.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.3 -4.67 45.15 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.986 0.736 . . . . 20.0 112.986 174.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.15 -119.74 3.04 Favored Glycine 0 C--N 1.34 0.785 0 C-N-CA 125.482 1.515 . . . . 20.0 112.363 169.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -131.64 29.13 4.54 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.874 2.07 . . . . 20.0 112.256 -171.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -150.09 15.16 1.01 Allowed Glycine 0 CA--C 1.536 1.347 0 C-N-CA 127.266 2.365 . . . . 20.0 112.767 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.86 -177.77 4.24 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.414 1.486 . . . . 20.0 112.657 -175.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -153.98 145.72 23.37 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.663 1.185 . . . . 20.0 110.161 169.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.1 t -86.23 101.31 12.92 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.202 0.601 . . . . 20.0 110.422 -178.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 50.5 t -72.27 150.71 43.36 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.53 1.532 . . . . 20.0 111.144 177.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.1 m -126.2 -172.97 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 126.154 1.782 . . . . 20.0 109.691 176.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -56.11 -50.61 70.59 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.533 1.133 . . . . 20.0 112.917 -176.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 mp -117.14 140.76 49.11 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.251 1.82 . . . . 20.0 109.534 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.5 p80 . . . . . 0 C--O 1.254 1.296 0 CA-C-O 116.586 -1.674 . . . . 20.0 113.329 -176.649 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 113.308 0.855 . . . . 20.0 113.308 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.8 t -124.16 163.25 21.92 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.66 1.184 . . . . 20.0 111.37 178.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.15 -83.08 0.07 OUTLIER Glycine 0 C--N 1.34 0.762 0 C-N-CA 124.553 1.073 . . . . 20.0 110.791 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 87.2 m -63.03 -44.94 94.55 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.128 0.971 . . . . 20.0 112.613 -175.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -63.17 -20.92 65.85 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.108 0.963 . . . . 20.0 113.225 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.4 -20.49 67.67 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.309 0.957 . . . . 20.0 113.998 -178.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.02 -0.03 3.41 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.593 1.557 . . . . 20.0 112.408 174.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.99 -44.35 1.47 Allowed Glycine 0 CA--C 1.537 1.433 0 C-N-CA 126.217 1.865 . . . . 20.0 111.969 174.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.65 171.05 29.8 Favored Glycine 0 C--N 1.347 1.161 0 C-N-CA 124.456 1.026 . . . . 20.0 113.46 177.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -140.85 135.11 31.04 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 124.353 1.061 . . . . 20.0 109.74 174.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.8 m -81.47 110.72 17.14 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.173 0.989 . . . . 20.0 108.962 171.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -102.16 156.7 34.91 Favored Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 125.366 1.466 . . . . 20.0 110.042 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -72.36 148.99 49.96 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.907 2.405 . . . . 20.0 110.006 173.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.59 -28.84 70.16 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.347 1.459 . . . . 20.0 111.932 -177.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -56.93 -27.21 60.69 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.439 1.496 . . . . 20.0 113.348 172.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -75.37 128.7 35.96 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.985 1.314 . . . . 20.0 110.674 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -83.44 105.52 14.45 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.483 1.113 . . . . 20.0 110.31 174.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.9 p -145.62 178.08 8.41 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.036 1.335 . . . . 20.0 110.698 169.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -72.18 92.54 1.36 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.417 1.087 . . . . 20.0 109.597 172.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -69.83 129.26 39.07 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.153 0.981 . . . . 20.0 110.718 178.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -72.3 -179.72 3.02 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.826 2.05 . . . . 20.0 110.762 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -119.42 -37.7 3.12 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.003 0.742 . . . . 20.0 113.003 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -103.79 -30.64 10.26 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.531 1.133 . . . . 20.0 111.546 176.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -88.96 -17.12 30.13 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.501 1.12 . . . . 20.0 111.917 177.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.6 t -67.55 -38.97 84.94 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.458 0.703 . . . . 20.0 110.81 169.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.01 -11.3 60.7 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.804 1.241 . . . . 20.0 113.671 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t -64.76 -48.13 75.66 Favored 'General case' 0 C--N 1.345 0.403 0 C-N-CA 124.88 1.272 . . . . 20.0 113.187 -171.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.76 -8.47 56.92 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.872 1.064 . . . . 20.0 113.872 -177.043 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.91 171.51 43.45 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 125.24 1.4 . . . . 20.0 112.224 -176.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -62.62 120.46 11.22 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.198 1.399 . . . . 20.0 109.968 -176.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.0 -12.97 8.55 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.655 1.598 . . . . 20.0 113.717 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -139.49 170.84 15.19 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.372 1.469 . . . . 20.0 110.414 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.58 174.28 13.15 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.519 1.528 . . . . 20.0 111.057 177.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.8 t -103.29 164.33 11.7 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.677 0.791 . . . . 20.0 110.533 172.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 93.9 m -121.65 -173.81 2.72 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.518 1.927 . . . . 20.0 110.305 175.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.8 m -48.17 133.62 5.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 124.088 0.955 . . . . 20.0 111.476 174.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -67.84 -24.22 65.24 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.923 1.289 . . . . 20.0 112.882 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 pp -71.75 169.37 15.81 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.5 1.52 . . . . 20.0 111.414 173.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 77.2 t60 . . . . . 0 C--O 1.251 1.159 0 C-N-CA 124.616 1.166 . . . . 20.0 110.403 178.88 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 tt . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 121.371 0.605 . . . . 20.0 109.439 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.3 m -76.29 143.04 41.13 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.195 1.398 . . . . 20.0 110.449 -177.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.51 161.01 17.86 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 126.494 1.997 . . . . 20.0 112.519 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 74.1 m -134.32 176.97 8.13 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.644 1.978 . . . . 20.0 110.616 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.7 mtmm -131.74 -19.47 2.64 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.021 1.119 . . . . 20.0 114.021 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.76 0.92 86.2 Favored Glycine 0 CA--C 1.533 1.164 0 CA-C-O 118.385 -1.231 . . . . 20.0 115.359 175.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -103.86 -59.6 1.7 Allowed 'General case' 0 C--N 1.344 0.365 0 C-N-CA 125.229 1.411 . . . . 20.0 109.742 176.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.49 -7.63 83.06 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.678 1.132 . . . . 20.0 114.187 -178.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -141.14 172.41 23.77 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 125.374 1.464 . . . . 20.0 111.641 175.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -139.44 170.0 16.72 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.713 1.205 . . . . 20.0 111.837 -172.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.8 m -78.22 78.42 4.69 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.824 1.65 . . . . 20.0 110.113 172.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -77.26 158.05 79.97 Favored Pre-proline 0 CA--C 1.538 0.513 0 C-N-CA 125.256 1.422 . . . . 20.0 111.381 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.71 154.15 71.85 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 122.937 2.425 . . . . 20.0 110.561 176.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.5 mt -63.62 -33.06 74.78 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 125.353 1.461 . . . . 20.0 112.283 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -62.16 -16.05 50.21 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.629 1.971 . . . . 20.0 113.495 175.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.1 tpt85 -68.66 129.42 39.88 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 124.676 1.19 . . . . 20.0 109.083 170.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -73.5 94.85 2.17 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 108.735 -0.839 . . . . 20.0 108.735 171.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.4 t -160.5 176.26 11.82 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.325 1.45 . . . . 20.0 110.234 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.48 160.97 12.61 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.213 1.405 . . . . 20.0 110.807 174.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -138.48 111.16 7.62 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 125.552 1.541 . . . . 20.0 108.646 171.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.16 174.62 6.12 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.157 1.783 . . . . 20.0 109.56 170.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -117.21 -25.17 7.19 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.827 1.047 . . . . 20.0 113.827 -176.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.94 -20.24 7.58 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.896 1.278 . . . . 20.0 112.764 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -91.34 -20.49 21.8 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.114 0.966 . . . . 20.0 111.347 171.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.4 m -76.52 -24.47 53.69 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.556 0.742 . . . . 20.0 111.632 167.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.97 -26.25 63.07 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.841 0.856 . . . . 20.0 111.723 173.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.0 t -68.72 -30.71 69.4 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.802 1.241 . . . . 20.0 111.756 173.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.0 m -76.06 -9.7 58.83 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.988 1.315 . . . . 20.0 113.562 172.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.28 -114.15 4.8 Favored Glycine 0 C--N 1.339 0.706 0 C-N-CA 125.586 1.565 . . . . 20.0 110.343 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -137.56 153.09 50.02 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.647 1.979 . . . . 20.0 111.06 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.64 -3.47 63.71 Favored Glycine 0 CA--C 1.536 1.39 0 CA-C-O 118.675 -1.069 . . . . 20.0 114.621 -177.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -133.15 172.03 13.21 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.773 1.629 . . . . 20.0 110.22 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.13 165.13 30.9 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.33 1.452 . . . . 20.0 111.292 176.401 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 45.0 t -77.83 135.28 37.92 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.495 -0.928 . . . . 20.0 108.495 165.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 11.6 t -120.48 132.35 55.16 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.373 1.469 . . . . 20.0 109.488 178.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.0 m -65.07 144.67 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 125.01 1.324 . . . . 20.0 110.953 176.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 3.5 p90 -78.87 -16.78 56.62 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.001 1.32 . . . . 20.0 112.539 171.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.3 mt -74.62 157.29 35.65 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.259 1.024 . . . . 20.0 110.849 174.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 76.1 m80 . . . . . 0 CA--C 1.533 0.32 0 C-N-CA 125.104 1.361 . . . . 20.0 110.94 176.0 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.3 tp . . . . . 0 N--CA 1.472 0.663 0 CA-C-O 120.952 0.406 . . . . 20.0 110.292 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 t -72.17 159.03 34.8 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.095 1.358 . . . . 20.0 111.525 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.12 2.22 71.36 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.318 1.437 . . . . 20.0 113.786 172.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.0 m -120.08 -179.76 4.03 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.059 1.744 . . . . 20.0 111.216 -171.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -70.44 -29.29 65.84 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.24 1.016 . . . . 20.0 113.092 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.17 -26.77 5.36 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 126.494 1.997 . . . . 20.0 114.151 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -67.48 -30.47 70.18 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.178 1.391 . . . . 20.0 113.45 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -154.46 -28.8 0.03 OUTLIER Glycine 0 CA--C 1.529 0.952 0 CA-C-O 119.053 -0.859 . . . . 20.0 113.659 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.66 139.68 14.7 Favored Glycine 0 CA--C 1.529 0.907 0 N-CA-C 109.842 -1.303 . . . . 20.0 109.842 171.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -137.08 164.35 28.62 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.25 1.42 . . . . 20.0 110.718 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.4 t -80.73 112.26 17.94 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.338 1.055 . . . . 20.0 109.802 -176.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.09 161.12 34.37 Favored Pre-proline 0 CA--C 1.54 0.583 0 C-N-CA 125.861 1.665 . . . . 20.0 110.13 -175.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -69.45 156.22 64.77 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 122.603 2.202 . . . . 20.0 111.041 170.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.2 mt -63.46 -28.59 70.07 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.169 1.388 . . . . 20.0 111.926 178.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -56.38 -30.86 63.23 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.791 1.637 . . . . 20.0 112.888 175.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -76.72 134.12 39.3 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 124.924 1.289 . . . . 20.0 110.292 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -101.15 105.62 16.79 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.935 1.294 . . . . 20.0 110.896 -178.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.9 t -146.08 -76.94 0.19 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.502 1.521 . . . . 20.0 109.3 173.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -151.84 162.55 40.86 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.273 1.829 . . . . 20.0 108.358 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -141.96 96.68 3.01 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.56 1.144 . . . . 20.0 108.946 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.86 172.4 2.28 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.922 1.689 . . . . 20.0 111.101 175.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -106.1 -45.44 4.33 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.41 1.084 . . . . 20.0 112.013 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.26 -36.44 17.92 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.642 0.777 . . . . 20.0 111.561 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -84.43 -27.67 27.41 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.259 0.624 . . . . 20.0 112.096 -174.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.6 m -73.41 -27.24 61.34 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 118.536 0.607 . . . . 20.0 111.383 169.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.47 -26.18 58.0 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.769 0.828 . . . . 20.0 112.276 172.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -71.69 -35.5 70.28 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.439 1.096 . . . . 20.0 110.985 170.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.4 m -67.41 -18.68 65.2 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.364 1.466 . . . . 20.0 112.616 166.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.24 167.35 41.37 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.829 1.681 . . . . 20.0 113.032 -177.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.6 ptmm? -66.5 112.07 3.91 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.862 1.265 . . . . 20.0 111.139 176.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.28 -13.01 7.07 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.234 1.397 . . . . 20.0 113.403 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -134.77 170.81 15.28 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.08 1.752 . . . . 20.0 109.611 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.48 -179.85 7.15 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.497 1.519 . . . . 20.0 111.376 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.8 t -122.39 142.62 50.33 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.903 0.881 . . . . 20.0 110.554 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 28.4 t -100.08 154.36 18.48 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 126.049 1.74 . . . . 20.0 110.219 175.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.7 m -59.34 144.12 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 C-N-CA 124.719 1.208 . . . . 20.0 111.23 172.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 4.6 p90 -73.64 -15.33 61.26 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.713 1.205 . . . . 20.0 112.79 171.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.4 tt -81.52 125.17 30.17 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.246 1.418 . . . . 20.0 109.487 176.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.8 p80 . . . . . 0 C--O 1.253 1.255 0 C-N-CA 125.623 1.569 . . . . 20.0 110.763 174.66 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tt . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 109.607 -0.516 . . . . 20.0 109.607 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.5 p -68.23 109.34 3.54 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 125.175 1.39 . . . . 20.0 110.267 177.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -125.65 -84.69 0.56 Allowed Glycine 0 C--N 1.338 0.687 0 C-N-CA 125.157 1.361 . . . . 20.0 110.902 -175.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.9 m -139.46 -176.51 4.57 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.966 1.306 . . . . 20.0 110.917 -178.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -112.57 -45.49 3.23 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.389 1.476 . . . . 20.0 111.199 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.63 -66.83 0.45 Allowed Glycine 0 C--N 1.341 0.85 0 C-N-CA 124.942 1.258 . . . . 20.0 110.055 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -81.9 -33.87 30.24 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.823 1.249 . . . . 20.0 113.077 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.04 -14.52 61.41 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 124.663 1.125 . . . . 20.0 114.363 -176.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.42 -174.28 13.52 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 126.767 2.127 . . . . 20.0 110.363 173.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -139.06 161.06 38.32 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 123.856 0.863 . . . . 20.0 111.625 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.2 m -76.0 94.18 3.37 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.936 1.695 . . . . 20.0 109.74 172.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -85.12 158.09 58.78 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 124.911 1.284 . . . . 20.0 110.3 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.1 153.26 67.53 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.773 2.316 . . . . 20.0 110.027 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.9 mt -65.94 -32.05 73.32 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.99 0.916 . . . . 20.0 112.021 -178.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -62.5 -14.61 43.46 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.747 1.619 . . . . 20.0 114.13 173.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -65.96 134.5 53.08 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 124.338 1.055 . . . . 20.0 110.413 175.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -75.84 71.89 2.7 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.281 1.433 . . . . 20.0 109.981 171.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.5 t -149.17 174.98 11.77 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.468 1.507 . . . . 20.0 110.376 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -66.25 159.04 27.4 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.894 1.278 . . . . 20.0 111.413 -176.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -140.08 112.26 7.68 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 126.074 1.75 . . . . 20.0 108.917 175.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.85 -170.69 0.93 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.472 1.909 . . . . 20.0 111.012 175.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -123.94 -27.78 3.87 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 114.336 1.236 . . . . 20.0 114.336 -174.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.74 -25.58 5.88 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.129 1.371 . . . . 20.0 111.525 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -89.31 -24.86 21.92 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.81 1.244 . . . . 20.0 111.491 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.1 p -67.04 -37.6 84.38 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.229 0.612 . . . . 20.0 111.182 167.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.96 -19.99 63.34 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.794 1.238 . . . . 20.0 112.961 177.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.6 t -63.45 -34.68 78.29 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.215 1.006 . . . . 20.0 111.558 174.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 69.9 m -76.75 -12.07 59.93 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.417 1.487 . . . . 20.0 114.169 174.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.26 173.53 46.19 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.451 1.5 . . . . 20.0 112.335 -177.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.411 ' HE3' ' N ' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -77.04 102.43 6.48 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.709 1.204 . . . . 20.0 109.22 -177.467 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 140.29 -9.53 2.97 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.424 1.488 . . . . 20.0 113.549 -178.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -141.82 171.25 14.32 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.98 1.712 . . . . 20.0 110.294 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.0 170.6 16.78 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.216 1.406 . . . . 20.0 111.334 177.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.9 t -91.75 116.47 28.92 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 109.976 -0.379 . . . . 20.0 109.976 172.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 38.2 t -85.18 141.62 30.04 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.374 1.07 . . . . 20.0 109.931 168.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.8 m -69.93 173.6 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 125.009 1.324 . . . . 20.0 111.819 174.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -123.91 -17.5 6.28 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.463 1.905 . . . . 20.0 112.643 -176.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.6 mt -133.78 109.26 9.0 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.241 1.817 . . . . 20.0 108.366 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.7 t60 . . . . . 0 C--O 1.253 1.275 0 C-N-CA 125.383 1.473 . . . . 20.0 110.678 -175.619 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 113.216 0.821 . . . . 20.0 113.216 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.6 t -146.25 167.04 24.49 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.212 1.405 . . . . 20.0 111.133 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.406 ' H ' ' HA2' ' A' ' 45' ' ' GLY . . . 141.58 107.0 0.64 Allowed Glycine 0 C--N 1.341 0.857 0 C-N-CA 126.005 1.764 . . . . 20.0 110.036 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.9 -22.24 59.12 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.787 1.235 . . . . 20.0 112.865 177.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -57.52 -28.73 63.74 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.053 1.741 . . . . 20.0 114.612 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.94 -7.88 0.08 OUTLIER Glycine 0 CA--C 1.536 1.349 0 CA-C-O 118.658 -1.079 . . . . 20.0 115.548 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -20.57 60.96 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.023 1.411 . . . . 20.0 113.025 174.082 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.3 -32.2 3.29 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 125.92 1.724 . . . . 20.0 112.818 178.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.406 ' HA2' ' H ' ' A' ' 39' ' ' GLY . . . 77.62 171.43 36.58 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 125.09 1.329 . . . . 20.0 113.338 -178.167 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -72.28 154.52 40.93 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 123.808 0.843 . . . . 20.0 110.667 173.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.5 m -111.84 105.43 13.89 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.7 1.2 . . . . 20.0 109.101 -177.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -131.68 157.28 78.61 Favored Pre-proline 0 CA--C 1.538 0.515 0 C-N-CA 126.934 2.094 . . . . 20.0 109.412 -174.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.34 157.33 62.27 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.376 2.05 . . . . 20.0 111.32 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -61.65 -33.29 73.71 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.162 1.385 . . . . 20.0 111.78 178.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -62.03 -17.2 56.54 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.868 1.667 . . . . 20.0 114.081 177.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -62.84 129.35 40.07 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.297 1.039 . . . . 20.0 110.299 178.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -88.26 79.43 7.82 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.211 1.004 . . . . 20.0 110.544 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.5 p -155.57 -178.61 7.41 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.842 1.657 . . . . 20.0 111.252 174.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -68.61 163.82 22.83 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.345 1.458 . . . . 20.0 110.719 177.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -154.76 -177.4 6.48 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.958 0.903 . . . . 20.0 112.063 177.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.9 mt -131.44 -176.68 4.11 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.386 1.874 . . . . 20.0 110.46 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -113.25 -40.32 3.94 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.671 1.188 . . . . 20.0 111.682 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.81 -40.59 32.51 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.798 0.839 . . . . 20.0 111.735 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -85.14 -21.39 29.27 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.032 0.933 . . . . 20.0 112.214 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.3 t -61.12 -43.48 98.82 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.38 0.672 . . . . 20.0 110.868 169.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.4 -20.77 64.7 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.558 1.143 . . . . 20.0 113.356 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.4 m -67.99 -34.27 76.21 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 123.683 0.793 . . . . 20.0 111.731 177.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 10.8 m -79.91 -8.11 59.13 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.963 1.305 . . . . 20.0 114.367 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.8 179.46 36.1 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 124.224 0.916 . . . . 20.0 113.342 175.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -62.03 114.6 3.49 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.878 2.071 . . . . 20.0 111.072 -173.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.15 7.53 60.84 Favored Glycine 0 CA--C 1.534 1.244 0 CA-C-O 118.764 -1.02 . . . . 20.0 114.739 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -116.29 165.99 12.55 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.449 1.5 . . . . 20.0 110.285 176.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -146.33 178.05 8.54 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.189 1.395 . . . . 20.0 111.454 176.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.9 t -84.89 164.51 18.34 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 122.415 0.286 . . . . 20.0 111.053 172.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 38.4 t -159.7 120.55 3.13 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 125.582 1.553 . . . . 20.0 109.929 172.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.3 m -73.95 -178.84 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 124.983 1.313 . . . . 20.0 111.047 175.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -132.32 -36.71 1.12 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.46 1.104 . . . . 20.0 113.275 -174.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -126.99 118.91 25.42 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.026 1.33 . . . . 20.0 109.091 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 61.4 m80 . . . . . 0 C--O 1.251 1.134 0 C-N-CA 127.238 2.215 . . . . 20.0 112.365 -176.188 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 118.812 -0.613 . . . . 20.0 112.653 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.1 m -71.56 -27.42 63.14 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.495 1.518 . . . . 20.0 112.661 -172.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -128.91 -17.53 1.84 Allowed Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.708 1.623 . . . . 20.0 114.936 -178.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.9 m -141.69 155.7 45.66 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.481 1.512 . . . . 20.0 109.904 173.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -72.1 -58.99 2.97 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.9 1.28 . . . . 20.0 111.134 -177.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.51 -20.62 0.23 Allowed Glycine 0 CA--C 1.531 1.05 0 CA-C-O 118.505 -1.164 . . . . 20.0 115.398 172.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -79.06 -13.63 59.64 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.063 1.432 . . . . 20.0 112.969 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 145.07 -14.76 1.91 Allowed Glycine 0 CA--C 1.535 1.332 0 C-N-CA 126.006 1.765 . . . . 20.0 113.641 175.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.47 176.02 35.17 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.299 1.428 . . . . 20.0 112.422 -173.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -74.88 118.64 18.06 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.537 0.735 . . . . 20.0 109.699 173.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 79.3 m -87.05 87.41 7.45 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.604 1.562 . . . . 20.0 110.357 -168.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -87.88 162.02 42.55 Favored Pre-proline 0 CA--C 1.541 0.609 0 C-N-CA 126.202 1.801 . . . . 20.0 110.356 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.47 155.24 69.77 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.53 2.153 . . . . 20.0 110.289 169.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.3 mt -62.68 -38.78 91.72 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.564 1.146 . . . . 20.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -79.93 64.34 4.75 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.615 1.566 . . . . 20.0 110.865 175.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -132.91 149.62 52.23 Favored 'General case' 0 C--N 1.341 0.239 0 C-N-CA 124.888 1.275 . . . . 20.0 111.396 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -72.69 20.69 0.07 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.462 2.305 . . . . 20.0 114.765 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.4 t -109.65 175.06 5.59 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.692 1.597 . . . . 20.0 111.659 -178.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -65.56 160.14 23.07 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.149 1.779 . . . . 20.0 110.606 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -140.2 113.96 8.79 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.885 1.674 . . . . 20.0 109.293 172.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.14 175.74 6.48 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.507 1.523 . . . . 20.0 111.064 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -116.84 -21.55 8.95 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.445 1.098 . . . . 20.0 113.936 -175.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.22 -15.6 12.7 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.3 1.44 . . . . 20.0 112.968 176.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -118.98 -6.07 10.51 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 125.353 1.461 . . . . 20.0 112.922 -174.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.8 p -65.95 -45.1 83.01 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.372 0.669 . . . . 20.0 110.691 166.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.51 -14.06 62.0 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.165 1.386 . . . . 20.0 113.69 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t -68.4 -32.74 73.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.972 0.909 . . . . 20.0 111.79 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 35.2 m -69.62 -35.88 75.66 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.213 1.005 . . . . 20.0 112.303 170.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 131.56 174.88 13.78 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 125.15 1.357 . . . . 20.0 112.166 177.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -71.63 107.26 4.39 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.032 1.333 . . . . 20.0 109.056 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.44 2.16 21.44 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.95 1.262 . . . . 20.0 114.387 -178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -134.13 169.67 16.82 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.962 1.381 . . . . 20.0 110.446 178.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.29 157.97 43.23 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.347 1.059 . . . . 20.0 112.148 175.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.1 t -75.53 151.94 37.87 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.36 1.064 . . . . 20.0 109.869 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 10.3 t -142.65 134.64 27.14 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.401 1.48 . . . . 20.0 110.592 -176.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.66 173.78 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 126.03 1.732 . . . . 20.0 112.263 173.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -120.11 -31.36 4.44 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.283 1.833 . . . . 20.0 111.297 170.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.7 tp -161.57 145.24 12.65 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.982 1.713 . . . . 20.0 108.747 177.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 69.1 t60 . . . . . 0 C--O 1.252 1.189 0 C-N-CA 124.776 1.23 . . . . 20.0 111.959 178.128 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 109.998 -0.371 . . . . 20.0 109.998 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.1 m -121.09 -26.68 5.08 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.354 1.462 . . . . 20.0 112.848 -169.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -66.14 -50.89 48.64 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 124.566 1.079 . . . . 20.0 113.707 -172.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 73.9 m -136.08 -179.91 5.95 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.071 1.748 . . . . 20.0 109.536 173.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -68.41 -19.22 64.59 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.646 -0.659 . . . . 20.0 112.464 174.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.68 -30.38 3.16 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 126.246 1.879 . . . . 20.0 113.289 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -86.37 -66.54 0.89 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.836 1.654 . . . . 20.0 110.001 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.34 -0.66 88.39 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 124.57 1.081 . . . . 20.0 114.365 -177.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.87 161.23 33.99 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-N 118.84 1.32 . . . . 20.0 110.792 175.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -131.91 151.09 51.93 Favored 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 124.638 1.175 . . . . 20.0 110.787 -177.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.6 t -84.14 105.05 14.7 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.512 1.525 . . . . 20.0 109.103 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -131.12 161.68 60.25 Favored Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 125.067 1.347 . . . . 20.0 111.356 -177.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.41 167.68 19.94 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.925 2.417 . . . . 20.0 112.036 173.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.4 -34.51 76.88 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.594 1.557 . . . . 20.0 111.235 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -82.21 63.17 6.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.561 1.544 . . . . 20.0 111.17 172.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -140.86 159.43 42.23 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.666 1.186 . . . . 20.0 111.768 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -81.44 52.63 1.9 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.898 1.679 . . . . 20.0 112.89 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.6 m -135.04 167.3 21.2 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.564 1.546 . . . . 20.0 110.244 167.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.69 173.56 2.76 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.473 1.909 . . . . 20.0 110.5 169.43 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -124.65 101.64 7.21 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.15 1.78 . . . . 20.0 108.593 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -64.96 -176.53 0.28 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.979 2.512 . . . . 20.0 111.633 174.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -123.02 -44.59 2.17 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.674 1.189 . . . . 20.0 111.868 174.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.48 -31.85 32.74 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.599 0.76 . . . . 20.0 113.015 -175.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -101.26 -25.32 14.03 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.253 1.421 . . . . 20.0 111.576 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.9 t -72.49 12.56 0.45 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.457 1.903 . . . . 20.0 112.543 167.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -118.68 1.84 11.65 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.434 1.894 . . . . 20.0 112.407 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.3 m -114.3 -18.41 11.59 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.797 1.239 . . . . 20.0 113.702 -169.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 9.6 m -77.71 -17.38 57.68 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.721 1.209 . . . . 20.0 113.987 177.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.17 -123.97 5.84 Favored Glycine 0 C--N 1.344 1.024 0 C-N-CA 124.723 1.154 . . . . 20.0 110.928 -174.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -130.46 155.02 47.15 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.718 1.607 . . . . 20.0 110.254 176.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.67 27.9 68.35 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.454 1.026 . . . . 20.0 113.51 -176.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -136.06 167.32 21.46 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.985 1.714 . . . . 20.0 112.657 -163.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -156.84 179.27 9.44 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.768 1.627 . . . . 20.0 110.613 164.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.1 t -135.18 159.24 42.15 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.495 1.118 . . . . 20.0 111.013 173.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 59.8 m -80.41 168.72 18.65 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.974 1.71 . . . . 20.0 112.007 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.7 m -73.78 171.14 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.412 1.085 . . . . 20.0 111.267 170.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -53.3 -54.14 40.71 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.171 1.788 . . . . 20.0 113.293 -174.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.1 mt -80.04 159.72 26.08 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.024 1.33 . . . . 20.0 110.78 175.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 117.437 -1.268 . . . . 20.0 109.861 173.049 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 113.873 1.064 . . . . 20.0 113.873 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.6 t -115.42 159.57 20.97 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.236 1.414 . . . . 20.0 112.601 -171.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.15 149.85 4.34 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.794 1.664 . . . . 20.0 112.343 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 70.7 m -56.06 -30.96 62.73 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.59 1.156 . . . . 20.0 113.069 177.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -54.23 -24.5 18.75 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.795 2.038 . . . . 20.0 114.838 174.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.31 29.25 3.9 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 126.322 1.915 . . . . 20.0 112.467 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.5 tttt 59.86 14.53 4.27 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.719 2.007 . . . . 20.0 114.386 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.36 15.99 2.44 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 126.625 2.059 . . . . 20.0 113.868 172.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.3 -170.63 36.37 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 125.826 1.679 . . . . 20.0 111.828 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -126.93 155.02 43.74 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 124.449 1.1 . . . . 20.0 111.893 175.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.1 m -105.38 131.97 52.15 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.907 1.683 . . . . 20.0 110.012 -174.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -136.17 163.7 48.28 Favored Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 126.226 1.81 . . . . 20.0 109.946 -169.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.55 161.43 43.55 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.473 2.115 . . . . 20.0 110.952 175.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.1 mt -63.8 -32.64 74.21 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.336 1.054 . . . . 20.0 111.113 175.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -62.46 -15.7 51.18 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.891 1.676 . . . . 20.0 114.164 175.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -70.28 144.48 51.76 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.091 0.859 . . . . 20.0 110.553 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -82.56 18.66 1.45 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.077 0.951 . . . . 20.0 113.234 172.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 m -64.03 168.73 4.98 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.547 -0.721 . . . . 20.0 110.945 160.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -66.95 172.47 4.43 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.438 1.095 . . . . 20.0 111.179 171.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -137.38 99.32 3.93 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.854 1.662 . . . . 20.0 108.96 176.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.55 178.19 1.71 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.073 1.749 . . . . 20.0 111.042 176.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -112.11 -19.59 12.24 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.859 1.059 . . . . 20.0 113.859 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -123.06 -17.76 6.59 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.901 1.28 . . . . 20.0 113.244 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -101.63 -16.66 16.65 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.66 1.184 . . . . 20.0 112.153 173.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.6 t -66.61 -50.7 62.15 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.97 0.805 . . . . 20.0 111.117 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.86 -20.39 64.27 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.773 0.829 . . . . 20.0 113.146 174.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 t -68.15 -27.34 66.35 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.29 1.036 . . . . 20.0 112.083 175.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 57.5 m -74.74 -11.55 60.19 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 114.11 1.152 . . . . 20.0 114.11 175.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.72 174.68 20.33 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 125.155 1.359 . . . . 20.0 112.82 174.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -66.39 112.46 4.05 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.865 1.666 . . . . 20.0 109.811 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.44 13.09 56.36 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-O 118.534 -1.148 . . . . 20.0 114.453 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -130.02 171.19 13.06 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.171 1.389 . . . . 20.0 111.446 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -147.39 166.95 25.64 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.139 1.776 . . . . 20.0 111.093 176.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 49.3 t -103.16 141.36 35.99 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.061 1.345 . . . . 20.0 110.067 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 73.5 m -77.99 178.37 7.54 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.475 1.11 . . . . 20.0 111.261 171.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.5 m -61.1 175.98 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 126.663 1.985 . . . . 20.0 113.352 176.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 61.6 p-90 -132.79 -9.78 3.1 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.508 1.523 . . . . 20.0 113.259 -176.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.0 tp -149.02 -37.91 0.16 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.329 0.968 . . . . 20.0 113.399 176.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 59.5 m80 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 117.471 -1.252 . . . . 20.0 110.202 -175.239 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 121.098 0.475 . . . . 20.0 110.999 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.4 m -80.87 130.81 35.24 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.434 1.494 . . . . 20.0 110.879 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -133.96 160.97 66.5 Favored Pre-proline 0 CA--C 1.54 0.58 0 C-N-CA 126.924 2.089 . . . . 20.0 110.495 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.14 157.56 59.1 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.782 2.322 . . . . 20.0 111.031 172.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.4 mt -66.4 -38.65 87.98 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.193 1.397 . . . . 20.0 110.961 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -84.6 63.35 7.86 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.104 1.362 . . . . 20.0 110.646 173.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -132.32 152.3 51.47 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 125.49 1.516 . . . . 20.0 110.68 176.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -87.44 73.69 9.5 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.067 0.947 . . . . 20.0 110.166 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.8 p -158.12 172.95 17.47 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.034 1.334 . . . . 20.0 110.878 168.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.87 169.21 0.78 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.636 1.974 . . . . 20.0 112.321 -174.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -152.59 149.79 28.85 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.61 0.764 . . . . 20.0 111.055 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.9 mt -134.03 175.02 9.86 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 126.496 1.918 . . . . 20.0 109.853 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -119.05 -33.49 4.15 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.958 1.303 . . . . 20.0 111.826 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.13 -30.84 39.1 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.384 1.074 . . . . 20.0 112.569 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -105.81 -12.35 15.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.148 0.979 . . . . 20.0 113.015 -176.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.2 p -65.49 -22.87 66.78 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.284 0.947 . . . . 20.0 112.121 170.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.87 -20.75 64.28 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.858 1.663 . . . . 20.0 113.35 173.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.8 t -67.33 -39.92 85.89 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.354 1.061 . . . . 20.0 110.597 173.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 61.2 m -74.27 -20.64 60.08 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.147 1.379 . . . . 20.0 112.856 171.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.43 -136.05 12.6 Favored Glycine 0 C--N 1.341 0.816 0 C-N-CA 125.854 1.692 . . . . 20.0 111.18 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -112.03 111.12 21.82 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.146 1.778 . . . . 20.0 108.68 -178.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.33 -1.98 11.42 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.917 1.246 . . . . 20.0 114.509 176.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -140.07 169.49 17.61 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.296 1.438 . . . . 20.0 111.14 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.73 167.1 22.89 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.185 1.394 . . . . 20.0 111.651 178.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 34.8 t -85.75 144.09 27.96 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.197 0.999 . . . . 20.0 110.033 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.6 m . . . . . 0 CA--C 1.534 0.35 0 C-N-CA 124.855 1.262 . . . . 20.0 112.185 178.507 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 CA--C 1.536 0.435 0 CA-C-O 120.601 0.238 . . . . 20.0 110.905 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 87.1 m -131.67 112.12 12.29 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.543 1.137 . . . . 20.0 108.832 170.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -133.85 157.83 76.87 Favored Pre-proline 0 CA--C 1.537 0.463 0 C-N-CA 126.527 1.931 . . . . 20.0 109.736 -173.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.47 157.81 60.29 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.462 2.108 . . . . 20.0 111.201 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.59 -27.09 69.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.796 1.638 . . . . 20.0 111.451 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -59.07 -25.11 63.47 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.937 2.095 . . . . 20.0 114.215 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -72.21 149.58 44.47 Favored 'General case' 0 C--N 1.344 0.338 0 C-N-CA 123.791 0.837 . . . . 20.0 110.338 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -80.19 99.78 7.97 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 108.951 -0.759 . . . . 20.0 108.951 167.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.6 m -151.36 165.93 32.57 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 126.209 1.804 . . . . 20.0 110.094 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -65.21 144.5 57.14 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.664 1.186 . . . . 20.0 109.052 169.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -127.33 99.42 5.64 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 124.161 0.985 . . . . 20.0 109.49 -176.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.52 168.03 17.14 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.598 1.559 . . . . 20.0 111.433 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -110.82 -29.2 8.07 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.892 1.071 . . . . 20.0 113.892 -173.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.91 7.19 10.38 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.948 1.699 . . . . 20.0 111.795 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -126.66 -17.57 4.99 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.55 1.54 . . . . 20.0 112.153 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.6 t -64.89 -39.7 93.95 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.925 0.89 . . . . 20.0 110.786 168.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.66 -18.22 65.25 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.154 1.382 . . . . 20.0 113.774 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.0 m -65.28 -28.74 69.54 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.124 0.969 . . . . 20.0 112.217 177.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 89.4 m -77.86 -51.63 10.15 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.722 1.209 . . . . 20.0 111.104 172.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 139.26 176.8 14.97 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 125.315 1.436 . . . . 20.0 111.652 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.88 133.83 51.75 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.559 0.744 . . . . 20.0 110.491 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.11 -0.3 87.41 Favored Glycine 0 CA--C 1.536 1.365 0 CA-C-O 118.557 -1.135 . . . . 20.0 114.586 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -126.02 165.29 19.07 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.9 1.35 . . . . 20.0 110.3 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -139.63 177.28 8.05 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.837 1.655 . . . . 20.0 110.946 174.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.3 t -120.37 108.76 14.52 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 124.291 1.036 . . . . 20.0 110.584 -176.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.4 t . . . . . 0 CA--C 1.537 0.466 0 C-N-CA 125.28 1.432 . . . . 20.0 111.182 -178.242 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 CA--C 1.534 0.333 0 CA-C-O 121.147 0.499 . . . . 20.0 109.929 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.1 m -121.3 66.13 0.88 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.126 1.37 . . . . 20.0 109.717 -171.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -72.73 156.22 90.17 Favored Pre-proline 0 CA--C 1.539 0.556 0 C-N-CA 124.866 1.266 . . . . 20.0 111.09 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.38 157.12 53.81 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 123.301 2.668 . . . . 20.0 110.507 173.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.3 mt -61.72 -34.51 75.93 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.738 1.215 . . . . 20.0 112.168 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -62.78 -13.73 36.67 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.15 1.38 . . . . 20.0 114.073 177.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.8 tpt85 -66.56 134.51 52.52 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 124.302 1.041 . . . . 20.0 110.201 173.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -72.88 86.53 1.28 Allowed 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.096 0.958 . . . . 20.0 109.598 169.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.7 t -158.29 173.82 16.09 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.828 1.651 . . . . 20.0 110.109 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -70.94 174.53 6.05 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.87 1.268 . . . . 20.0 111.16 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -139.91 152.83 46.71 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.066 1.746 . . . . 20.0 109.773 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt -127.38 -174.72 3.24 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.315 1.846 . . . . 20.0 109.754 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -129.4 -36.18 1.7 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.81 1.244 . . . . 20.0 112.478 177.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.15 -46.72 27.24 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.062 0.945 . . . . 20.0 110.805 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -83.32 -25.77 31.2 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.31 0.644 . . . . 20.0 111.803 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.3 t -76.03 -1.31 25.2 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.476 1.111 . . . . 20.0 112.509 172.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.27 14.14 32.77 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.984 1.714 . . . . 20.0 111.97 172.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 t -128.49 13.36 6.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.748 1.619 . . . . 20.0 113.763 -171.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.6 m -128.81 -16.28 4.21 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 115.117 1.525 . . . . 20.0 115.117 -170.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 124.74 -125.55 5.75 Favored Glycine 0 C--N 1.345 1.029 0 C-N-CA 124.978 1.275 . . . . 20.0 112.274 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -135.07 149.08 50.03 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.871 1.669 . . . . 20.0 109.971 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.47 19.42 76.2 Favored Glycine 0 CA--C 1.537 1.409 0 CA-C-O 118.919 -0.934 . . . . 20.0 114.131 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -122.79 174.21 7.27 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.195 1.798 . . . . 20.0 112.222 -170.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.37 169.06 25.46 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.034 1.734 . . . . 20.0 110.327 161.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 11.5 t -93.62 110.42 22.03 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 122.832 0.453 . . . . 20.0 110.022 173.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 36.1 t . . . . . 0 CA--C 1.534 0.337 0 C-N-CA 124.36 1.064 . . . . 20.0 110.347 177.767 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 . . . . . 0 C--O 1.234 0.241 0 CA-C-O 121.418 0.628 . . . . 20.0 111.743 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.8 m -85.49 91.58 8.27 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 126.068 1.747 . . . . 20.0 109.348 174.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -96.81 161.6 25.93 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 126.062 1.745 . . . . 20.0 109.653 177.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -64.91 164.21 25.47 Favored 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 122.42 2.08 . . . . 20.0 112.138 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -62.08 -31.13 71.53 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.749 1.22 . . . . 20.0 111.05 173.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -60.6 -17.85 49.21 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.474 2.31 . . . . 20.0 114.279 173.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.76 137.12 57.6 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 124.744 1.218 . . . . 20.0 110.396 177.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -82.19 80.18 8.48 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.022 -0.733 . . . . 20.0 109.022 167.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.6 p -149.85 173.99 13.15 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.953 1.301 . . . . 20.0 111.127 174.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -68.67 165.26 19.77 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.26 1.024 . . . . 20.0 111.316 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -137.67 155.88 48.64 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.749 1.22 . . . . 20.0 110.254 -174.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.4 mt -126.01 -175.69 3.43 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.434 1.894 . . . . 20.0 110.296 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -125.39 -39.51 2.18 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 124.827 1.251 . . . . 20.0 112.15 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.84 -46.92 27.79 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.336 1.055 . . . . 20.0 110.785 172.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -87.46 -29.23 21.56 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 123.481 0.712 . . . . 20.0 112.651 -173.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.4 t -65.91 -34.25 77.7 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.434 0.694 . . . . 20.0 110.842 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.86 -34.28 77.45 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.754 1.222 . . . . 20.0 112.361 171.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.3 m -71.26 -29.0 64.56 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.266 1.026 . . . . 20.0 113.021 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 40.3 m -71.43 -12.44 61.41 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.247 1.203 . . . . 20.0 114.247 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.48 157.72 33.95 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 125.098 1.332 . . . . 20.0 112.073 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.07 101.64 3.96 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.57 1.148 . . . . 20.0 110.047 -171.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 132.84 -8.84 5.2 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 126.414 1.959 . . . . 20.0 113.161 -173.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.8 mp0 -134.6 161.05 36.18 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.465 1.506 . . . . 20.0 110.902 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -139.49 165.52 27.01 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.843 2.457 . . . . 20.0 110.208 178.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 11.5 t -98.0 112.37 24.33 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.126 0.57 . . . . 20.0 110.425 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 70.4 m . . . . . 0 CA--C 1.535 0.383 0 C-N-CA 123.73 0.812 . . . . 20.0 110.558 170.342 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 . . . . . 0 CA--C 1.531 0.241 0 CA-C-O 121.136 0.493 . . . . 20.0 109.987 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.7 m -80.96 89.26 5.89 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.675 1.19 . . . . 20.0 109.471 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -84.77 155.69 61.6 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 124.851 1.26 . . . . 20.0 110.725 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.21 155.73 63.77 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.575 2.183 . . . . 20.0 110.528 176.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.09 -33.64 76.23 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.259 1.024 . . . . 20.0 111.914 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -64.23 -16.31 61.78 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.616 1.567 . . . . 20.0 114.031 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 -66.14 160.42 24.1 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.144 0.978 . . . . 20.0 110.233 171.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -105.75 108.28 19.71 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.869 1.267 . . . . 20.0 108.81 172.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.1 -175.14 4.7 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.699 1.199 . . . . 20.0 111.465 178.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -55.32 -52.41 63.56 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.793 1.637 . . . . 20.0 111.706 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 60.46 98.1 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 128.159 2.584 . . . . 20.0 112.783 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.1 mt -72.29 172.04 11.03 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.389 1.076 . . . . 20.0 111.111 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -117.2 -41.95 2.95 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 124.539 1.135 . . . . 20.0 112.382 -176.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.64 -17.81 32.91 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.814 0.845 . . . . 20.0 112.177 173.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -116.86 -6.48 11.49 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.466 1.106 . . . . 20.0 112.539 -168.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.5 p -63.57 -33.26 75.2 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.405 0.682 . . . . 20.0 111.682 162.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.67 -9.69 57.68 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.701 1.601 . . . . 20.0 114.027 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.3 t -65.13 -45.09 86.5 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.026 0.93 . . . . 20.0 110.938 172.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 36.5 m -70.8 -12.85 61.8 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.77 1.228 . . . . 20.0 113.166 171.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.43 179.3 38.14 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 125.559 1.552 . . . . 20.0 112.961 176.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -61.48 118.06 6.52 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.698 1.599 . . . . 20.0 110.595 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.49 -2.0 39.7 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.962 1.267 . . . . 20.0 114.969 174.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -128.64 170.32 13.39 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.238 1.415 . . . . 20.0 110.16 178.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -139.42 168.18 20.41 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.738 0.815 . . . . 20.0 113.062 176.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.3 t -92.23 134.1 35.2 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 125.278 1.431 . . . . 20.0 109.563 175.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 67.6 m . . . . . 0 CA--C 1.54 0.562 0 C-N-CA 126.018 1.727 . . . . 20.0 109.771 177.486 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 . . . . . 0 CA--C 1.535 0.38 0 CA-C-O 120.781 0.324 . . . . 20.0 110.837 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.2 m -114.94 118.68 34.14 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.751 1.621 . . . . 20.0 109.376 175.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -144.05 160.98 47.58 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 126.445 1.898 . . . . 20.0 109.711 -168.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -69.01 162.19 42.7 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.343 2.029 . . . . 20.0 111.605 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.3 mt -61.2 -33.94 74.27 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.444 1.498 . . . . 20.0 111.837 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -58.66 -23.1 58.61 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.493 1.917 . . . . 20.0 114.048 176.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -63.38 151.15 41.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.311 1.044 . . . . 20.0 111.191 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -91.2 83.94 5.6 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.503 1.121 . . . . 20.0 110.002 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.0 t -160.91 178.67 9.17 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.793 1.237 . . . . 20.0 111.554 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -61.83 159.02 14.61 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.987 1.715 . . . . 20.0 110.782 173.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -136.77 107.01 6.38 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.936 1.694 . . . . 20.0 109.393 -178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.1 mt -79.2 -176.86 5.37 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.06 1.344 . . . . 20.0 111.489 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -124.76 -41.21 2.14 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.459 1.104 . . . . 20.0 111.995 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.79 -38.14 33.71 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.714 0.806 . . . . 20.0 112.009 176.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -100.02 -13.04 19.23 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.787 0.835 . . . . 20.0 112.781 -176.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.7 t -65.78 -44.53 85.52 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.55 0.74 . . . . 20.0 110.758 172.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.59 -23.88 64.52 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.215 1.006 . . . . 20.0 112.861 173.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.4 t -70.11 -30.46 67.67 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.038 0.935 . . . . 20.0 112.112 177.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 93.8 m -68.15 -61.06 2.03 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 123.846 0.858 . . . . 20.0 109.987 167.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.89 -179.74 29.1 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 123.873 0.749 . . . . 20.0 112.476 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -63.83 141.82 58.63 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.087 0.955 . . . . 20.0 110.367 170.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.78 10.56 58.64 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.308 0.956 . . . . 20.0 113.939 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -128.37 166.51 18.55 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 125.307 1.443 . . . . 20.0 110.418 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -145.72 174.95 10.76 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.612 1.565 . . . . 20.0 110.374 173.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 14.8 t -109.46 127.39 54.38 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 123.891 0.876 . . . . 20.0 110.335 173.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 40.9 t . . . . . 0 CA--C 1.537 0.471 0 C-N-CA 125.839 1.656 . . . . 20.0 110.676 175.506 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 . . . . . 0 CA--C 1.538 0.518 0 CA-C-O 121.365 0.602 . . . . 20.0 111.542 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.8 m -77.9 92.95 4.32 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.087 1.355 . . . . 20.0 109.084 171.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -98.5 164.54 16.88 Favored Pre-proline 0 CA--C 1.538 0.507 0 C-N-CA 126.835 2.054 . . . . 20.0 109.883 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -66.18 160.51 44.54 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.386 2.057 . . . . 20.0 111.143 176.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.1 mt -63.0 -32.83 74.28 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.2 1.4 . . . . 20.0 111.752 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -68.48 -9.32 48.08 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.946 1.699 . . . . 20.0 114.539 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -66.92 148.19 52.27 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.138 0.881 . . . . 20.0 112.131 -173.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -78.69 75.79 5.2 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.185 1.394 . . . . 20.0 109.756 173.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -161.26 179.77 8.07 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.934 1.694 . . . . 20.0 109.949 175.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -65.98 167.78 9.22 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.477 1.111 . . . . 20.0 111.62 172.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -135.53 151.97 50.85 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 127.094 2.157 . . . . 20.0 109.084 176.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.9 mt -128.17 179.78 5.42 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.508 1.123 . . . . 20.0 109.176 177.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -119.84 -45.5 2.48 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.64 1.176 . . . . 20.0 111.371 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.56 -39.47 45.7 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.887 0.475 . . . . 20.0 111.35 175.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -86.56 -21.63 26.77 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 122.551 0.341 . . . . 20.0 111.626 -176.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.9 t -69.67 -38.29 77.0 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.344 0.658 . . . . 20.0 110.758 171.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.66 66.32 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.515 0.726 . . . . 20.0 112.543 170.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t -69.83 -34.38 73.57 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.742 0.701 . . . . 20.0 111.776 173.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 57.0 m -69.41 -8.74 49.32 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.24 1.016 . . . . 20.0 113.504 169.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 100.77 -113.39 4.68 Favored Glycine 0 C--N 1.341 0.824 0 C-N-CA 125.431 1.491 . . . . 20.0 110.865 174.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -133.5 145.38 50.12 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 126.315 1.846 . . . . 20.0 110.071 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.02 1.66 56.62 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 124.917 1.246 . . . . 20.0 114.919 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -131.82 159.87 37.29 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 125.093 1.357 . . . . 20.0 110.415 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -137.93 169.27 18.08 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.351 1.86 . . . . 20.0 111.501 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 47.3 t -114.62 119.97 38.56 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.039 1.335 . . . . 20.0 108.639 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 17.4 t . . . . . 0 CA--C 1.535 0.382 0 C-N-CA 122.63 0.372 . . . . 20.0 110.424 171.348 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 . . . . . 0 CA--C 1.535 0.372 0 CA-C-O 121.344 0.592 . . . . 20.0 111.058 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.4 m -68.95 116.32 9.28 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.86 1.264 . . . . 20.0 109.638 167.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -115.1 158.53 40.74 Favored Pre-proline 0 CA--C 1.539 0.541 0 C-N-CA 125.648 1.579 . . . . 20.0 110.279 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.72 149.14 66.78 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.88 2.387 . . . . 20.0 109.985 174.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.42 -30.07 70.96 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.337 1.455 . . . . 20.0 112.162 -175.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -60.72 -19.59 59.18 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.714 1.606 . . . . 20.0 114.161 172.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.05 126.53 30.18 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 119.206 0.912 . . . . 20.0 109.355 173.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -83.51 97.04 8.8 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 108.265 -1.013 . . . . 20.0 108.265 166.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.7 t -140.25 -83.73 0.23 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.357 1.463 . . . . 20.0 108.571 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -150.77 167.19 28.16 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.446 1.499 . . . . 20.0 109.156 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -154.63 145.44 22.48 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.604 1.161 . . . . 20.0 109.341 171.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.0 mt -132.09 -179.59 5.51 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.972 1.709 . . . . 20.0 109.953 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -116.4 -35.53 4.26 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.835 1.254 . . . . 20.0 111.994 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.07 -27.41 28.3 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.354 1.062 . . . . 20.0 112.454 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -109.5 -15.47 14.2 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.658 0.783 . . . . 20.0 112.951 -170.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 84.9 p -67.42 -29.13 68.54 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.481 0.582 . . . . 20.0 111.687 167.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.94 -21.34 65.11 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.51 1.524 . . . . 20.0 112.879 175.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.9 t -67.64 -38.52 83.97 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 123.931 0.892 . . . . 20.0 111.053 173.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 83.3 m -77.88 -16.66 58.08 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.909 1.284 . . . . 20.0 112.977 173.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.94 -125.35 8.44 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.635 1.588 . . . . 20.0 111.319 175.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -123.46 107.92 12.11 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.622 1.569 . . . . 20.0 109.536 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 125.86 -8.82 7.64 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 125.373 1.463 . . . . 20.0 114.134 176.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -139.87 166.34 24.88 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.552 1.541 . . . . 20.0 110.222 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.88 169.84 16.82 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.84 1.256 . . . . 20.0 112.278 -174.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 24.5 t -79.43 138.29 37.55 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.499 1.12 . . . . 20.0 109.72 175.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.7 t . . . . . 0 CA--C 1.533 0.313 0 C-N-CA 125.693 1.597 . . . . 20.0 109.365 -178.459 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 C--O 1.234 0.242 0 CA-C-O 121.298 0.571 . . . . 20.0 111.004 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.3 m -71.28 139.13 49.87 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.427 1.091 . . . . 20.0 109.878 167.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -143.34 163.55 36.45 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 127.586 2.354 . . . . 20.0 109.615 -177.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.44 162.45 41.86 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.329 2.019 . . . . 20.0 111.324 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -61.16 -34.73 75.48 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.893 1.277 . . . . 20.0 110.74 173.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -80.1 54.32 1.91 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.769 2.428 . . . . 20.0 111.508 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -135.21 157.6 46.51 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 124.553 1.141 . . . . 20.0 112.227 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -84.31 8.88 14.58 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.848 1.659 . . . . 20.0 114.591 175.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 25.5 m -69.59 160.36 31.68 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.117 0.967 . . . . 20.0 111.904 171.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -83.39 100.89 10.98 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.868 1.667 . . . . 20.0 108.84 174.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -66.12 119.22 11.05 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.778 1.631 . . . . 20.0 111.036 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 86.6 mt -76.15 179.69 5.53 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.531 1.532 . . . . 20.0 111.625 173.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -116.91 -40.6 3.12 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.263 1.025 . . . . 20.0 112.236 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.51 -40.4 21.08 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.421 1.088 . . . . 20.0 111.409 177.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -96.23 -14.69 22.5 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.978 0.733 . . . . 20.0 112.978 -168.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.3 m -67.96 -40.75 83.13 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.551 0.74 . . . . 20.0 111.129 173.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.99 -16.58 64.11 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.023 0.929 . . . . 20.0 113.151 173.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.3 t -69.0 -36.17 77.51 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.924 0.89 . . . . 20.0 112.425 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 73.8 m -66.01 -40.06 90.78 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 124.254 1.022 . . . . 20.0 111.724 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.16 -174.64 19.51 Favored Glycine 0 C--O 1.224 -0.528 0 C-N-CA 125.814 1.673 . . . . 20.0 112.961 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -66.49 127.67 33.21 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.878 1.671 . . . . 20.0 110.357 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.35 5.55 87.02 Favored Glycine 0 CA--C 1.534 1.279 0 CA-C-O 118.462 -1.188 . . . . 20.0 115.09 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -137.96 156.04 48.27 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.828 1.651 . . . . 20.0 110.363 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.54 179.91 6.54 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.542 1.537 . . . . 20.0 111.17 -174.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.5 t -112.92 168.91 9.3 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.201 1.0 . . . . 20.0 112.246 -174.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 35.8 t . . . . . 0 CA--C 1.533 0.305 0 C-N-CA 125.741 1.616 . . . . 20.0 110.695 -176.437 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 . . . . . 0 C--O 1.235 0.297 0 CA-C-O 121.458 0.647 . . . . 20.0 110.295 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 98.5 m -85.07 81.77 8.73 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.245 1.418 . . . . 20.0 109.304 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -75.16 158.25 84.28 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 125.556 1.543 . . . . 20.0 110.04 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -68.6 160.32 49.86 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.359 2.039 . . . . 20.0 110.941 177.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.29 -32.53 73.27 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.789 1.236 . . . . 20.0 111.584 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.1 -17.56 63.54 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.445 1.898 . . . . 20.0 113.755 175.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -68.46 123.86 21.97 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 124.427 1.091 . . . . 20.0 111.429 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -78.64 81.22 4.97 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.615 1.166 . . . . 20.0 110.361 173.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.0 p -150.18 -175.48 5.08 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.281 2.232 . . . . 20.0 109.096 167.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -59.49 155.05 15.89 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.872 0.869 . . . . 20.0 110.878 176.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -144.31 112.52 6.41 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.696 1.598 . . . . 20.0 109.131 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -72.61 174.4 7.59 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.981 1.712 . . . . 20.0 109.981 172.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -118.94 -48.3 2.46 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.026 0.93 . . . . 20.0 111.785 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.62 -38.2 26.37 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.466 0.706 . . . . 20.0 111.158 175.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -79.44 -23.81 42.87 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.628 0.771 . . . . 20.0 112.447 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.5 t -65.38 -30.94 71.81 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.749 1.22 . . . . 20.0 112.131 174.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.64 -15.6 63.57 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.245 0.832 . . . . 20.0 113.245 175.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.2 m -66.63 -31.84 72.78 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.75 0.82 . . . . 20.0 111.427 173.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 97.6 m -76.06 -9.89 58.98 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.46 1.504 . . . . 20.0 113.598 173.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.36 -115.52 4.73 Favored Glycine 0 C--N 1.339 0.73 0 C-N-CA 125.467 1.508 . . . . 20.0 110.523 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -131.47 158.37 41.03 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.865 1.666 . . . . 20.0 111.369 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.14 -16.98 6.54 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.587 1.565 . . . . 20.0 114.695 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -129.18 164.26 23.79 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.384 1.874 . . . . 20.0 109.405 177.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.66 165.22 29.38 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.521 1.529 . . . . 20.0 111.508 -178.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 36.8 t -74.08 145.46 44.4 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.544 0.738 . . . . 20.0 110.393 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 52.7 t . . . . . 0 CA--C 1.535 0.392 0 C-N-CA 125.353 1.461 . . . . 20.0 110.135 -177.517 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 C--O 1.234 0.283 0 CA-C-O 121.653 0.74 . . . . 20.0 111.799 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.03 144.28 36.77 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.214 -1.357 . . . . 20.0 109.367 164.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -144.43 165.11 24.79 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 126.574 1.95 . . . . 20.0 109.841 -175.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.91 165.14 33.23 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 122.488 2.125 . . . . 20.0 110.708 171.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.5 mt -64.54 -32.36 73.98 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.711 1.205 . . . . 20.0 111.101 172.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -66.44 -12.77 58.95 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.131 1.772 . . . . 20.0 113.958 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.1 tpt85 -65.94 132.72 49.29 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.594 1.158 . . . . 20.0 110.055 175.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -73.29 79.37 1.33 Allowed 'General case' 0 C--N 1.344 0.329 0 C-N-CA 124.902 1.281 . . . . 20.0 109.819 170.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.9 t -159.8 174.94 13.73 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.255 1.422 . . . . 20.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -67.22 176.67 2.11 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.435 1.894 . . . . 20.0 112.153 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -140.1 157.79 45.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.277 1.831 . . . . 20.0 109.76 176.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.6 mt -133.21 -179.7 5.66 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.306 1.842 . . . . 20.0 110.141 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -120.3 -37.59 3.03 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.84 1.256 . . . . 20.0 112.292 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.63 -44.54 23.64 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.014 0.926 . . . . 20.0 111.062 173.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -88.69 -15.86 33.77 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.82 0.674 . . . . 20.0 112.82 -174.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.0 p -71.4 -23.99 61.97 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.771 0.714 . . . . 20.0 111.893 171.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.7 -24.75 58.81 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.252 1.021 . . . . 20.0 111.894 171.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.5 m -71.04 -28.75 64.61 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 124.19 0.996 . . . . 20.0 111.846 174.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.7 m -65.85 -60.17 3.13 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.692 0.797 . . . . 20.0 109.346 161.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.92 -98.68 0.33 Allowed Glycine 0 C--N 1.344 0.974 0 C-N-CA 125.797 1.665 . . . . 20.0 110.024 -176.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.8 158.2 43.85 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 127.61 2.364 . . . . 20.0 111.325 -176.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.34 10.37 47.77 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.806 1.193 . . . . 20.0 114.217 -176.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -145.83 172.84 12.73 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.003 1.721 . . . . 20.0 110.741 -166.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -154.29 159.53 41.29 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.07 1.748 . . . . 20.0 110.628 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.0 t -75.18 166.76 23.14 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 122.194 -0.316 . . . . 20.0 110.33 169.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 38.7 t . . . . . 0 CA--C 1.532 0.269 0 C-N-CA 124.952 1.301 . . . . 20.0 110.095 176.804 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 CA--C 1.536 0.442 0 CA-C-O 120.87 0.367 . . . . 20.0 110.432 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.7 m -62.54 105.85 0.69 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.187 0.995 . . . . 20.0 109.576 165.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -129.31 158.9 71.7 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 126.237 1.815 . . . . 20.0 109.985 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -70.88 156.93 59.52 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 122.569 2.18 . . . . 20.0 111.668 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.3 -32.87 72.72 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.928 1.691 . . . . 20.0 112.202 172.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -81.3 50.36 1.43 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.964 1.706 . . . . 20.0 111.843 174.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.9 tpp85 -131.38 151.68 51.31 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.336 1.454 . . . . 20.0 110.909 174.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -74.24 68.89 1.52 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.749 2.02 . . . . 20.0 112.853 176.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.4 t -154.72 171.72 19.09 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.423 -0.798 . . . . 20.0 112.44 173.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -70.54 165.98 21.55 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.002 1.721 . . . . 20.0 112.264 -177.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -134.96 114.41 12.47 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.586 1.954 . . . . 20.0 110.283 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.1 mt -80.0 177.64 8.79 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.424 1.489 . . . . 20.0 111.412 166.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -111.95 -46.95 3.17 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.553 1.541 . . . . 20.0 111.561 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.83 -43.45 71.96 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.906 0.883 . . . . 20.0 111.074 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -84.66 -6.95 59.39 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.829 0.852 . . . . 20.0 113.271 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.1 t -59.38 -32.09 69.82 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.402 1.001 . . . . 20.0 112.067 174.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.77 -10.67 57.95 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.168 1.387 . . . . 20.0 114.217 176.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.6 t -62.41 -50.54 71.11 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 125.171 1.388 . . . . 20.0 112.818 -170.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.3 -4.67 45.15 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.986 0.736 . . . . 20.0 112.986 174.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.15 -119.74 3.04 Favored Glycine 0 C--N 1.34 0.785 0 C-N-CA 125.482 1.515 . . . . 20.0 112.363 169.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -131.64 29.13 4.54 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.874 2.07 . . . . 20.0 112.256 -171.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -150.09 15.16 1.01 Allowed Glycine 0 CA--C 1.536 1.347 0 C-N-CA 127.266 2.365 . . . . 20.0 112.767 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.86 -177.77 4.24 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.414 1.486 . . . . 20.0 112.657 -175.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -153.98 145.72 23.37 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.663 1.185 . . . . 20.0 110.161 169.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.1 t -86.23 101.31 12.92 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.202 0.601 . . . . 20.0 110.422 -178.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 50.5 t . . . . . 0 CA--C 1.536 0.434 0 C-N-CA 125.53 1.532 . . . . 20.0 111.144 177.17 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 . . . . . 0 C--O 1.232 0.155 0 N-CA-C 109.74 -0.467 . . . . 20.0 109.74 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.8 m -81.47 110.72 17.14 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.173 0.989 . . . . 20.0 108.962 171.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -102.16 156.7 34.91 Favored Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 125.366 1.466 . . . . 20.0 110.042 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -72.36 148.99 49.96 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.907 2.405 . . . . 20.0 110.006 173.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.59 -28.84 70.16 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.347 1.459 . . . . 20.0 111.932 -177.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -56.93 -27.21 60.69 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.439 1.496 . . . . 20.0 113.348 172.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -75.37 128.7 35.96 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.985 1.314 . . . . 20.0 110.674 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -83.44 105.52 14.45 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.483 1.113 . . . . 20.0 110.31 174.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.9 p -145.62 178.08 8.41 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.036 1.335 . . . . 20.0 110.698 169.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -72.18 92.54 1.36 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.417 1.087 . . . . 20.0 109.597 172.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -69.83 129.26 39.07 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.153 0.981 . . . . 20.0 110.718 178.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -72.3 -179.72 3.02 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.826 2.05 . . . . 20.0 110.762 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -119.42 -37.7 3.12 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.003 0.742 . . . . 20.0 113.003 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -103.79 -30.64 10.26 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.531 1.133 . . . . 20.0 111.546 176.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -88.96 -17.12 30.13 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.501 1.12 . . . . 20.0 111.917 177.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.6 t -67.55 -38.97 84.94 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.458 0.703 . . . . 20.0 110.81 169.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.01 -11.3 60.7 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.804 1.241 . . . . 20.0 113.671 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t -64.76 -48.13 75.66 Favored 'General case' 0 C--N 1.345 0.403 0 C-N-CA 124.88 1.272 . . . . 20.0 113.187 -171.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.76 -8.47 56.92 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.872 1.064 . . . . 20.0 113.872 -177.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.91 171.51 43.45 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 125.24 1.4 . . . . 20.0 112.224 -176.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -62.62 120.46 11.22 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.198 1.399 . . . . 20.0 109.968 -176.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.0 -12.97 8.55 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.655 1.598 . . . . 20.0 113.717 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -139.49 170.84 15.19 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.372 1.469 . . . . 20.0 110.414 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.58 174.28 13.15 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.519 1.528 . . . . 20.0 111.057 177.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.8 t -103.29 164.33 11.7 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.677 0.791 . . . . 20.0 110.533 172.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 93.9 m . . . . . 0 CA--C 1.535 0.383 0 C-N-CA 126.518 1.927 . . . . 20.0 110.305 175.579 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 . . . . . 0 CA--C 1.536 0.42 0 CA-C-O 121.341 0.591 . . . . 20.0 111.837 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.8 m -78.22 78.42 4.69 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.824 1.65 . . . . 20.0 110.113 172.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -77.26 158.05 79.97 Favored Pre-proline 0 CA--C 1.538 0.513 0 C-N-CA 125.256 1.422 . . . . 20.0 111.381 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.71 154.15 71.85 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 122.937 2.425 . . . . 20.0 110.561 176.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.5 mt -63.62 -33.06 74.78 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 125.353 1.461 . . . . 20.0 112.283 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -62.16 -16.05 50.21 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.629 1.971 . . . . 20.0 113.495 175.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.1 tpt85 -68.66 129.42 39.88 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 124.676 1.19 . . . . 20.0 109.083 170.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -73.5 94.85 2.17 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 108.735 -0.839 . . . . 20.0 108.735 171.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.4 t -160.5 176.26 11.82 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.325 1.45 . . . . 20.0 110.234 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.48 160.97 12.61 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.213 1.405 . . . . 20.0 110.807 174.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -138.48 111.16 7.62 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 125.552 1.541 . . . . 20.0 108.646 171.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.16 174.62 6.12 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.157 1.783 . . . . 20.0 109.56 170.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -117.21 -25.17 7.19 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.827 1.047 . . . . 20.0 113.827 -176.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.94 -20.24 7.58 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.896 1.278 . . . . 20.0 112.764 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -91.34 -20.49 21.8 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.114 0.966 . . . . 20.0 111.347 171.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.4 m -76.52 -24.47 53.69 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.556 0.742 . . . . 20.0 111.632 167.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.97 -26.25 63.07 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.841 0.856 . . . . 20.0 111.723 173.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.0 t -68.72 -30.71 69.4 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.802 1.241 . . . . 20.0 111.756 173.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.0 m -76.06 -9.7 58.83 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.988 1.315 . . . . 20.0 113.562 172.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.28 -114.15 4.8 Favored Glycine 0 C--N 1.339 0.706 0 C-N-CA 125.586 1.565 . . . . 20.0 110.343 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -137.56 153.09 50.02 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.647 1.979 . . . . 20.0 111.06 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.64 -3.47 63.71 Favored Glycine 0 CA--C 1.536 1.39 0 CA-C-O 118.675 -1.069 . . . . 20.0 114.621 -177.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -133.15 172.03 13.21 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.773 1.629 . . . . 20.0 110.22 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.13 165.13 30.9 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.33 1.452 . . . . 20.0 111.292 176.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 45.0 t -77.83 135.28 37.92 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.495 -0.928 . . . . 20.0 108.495 165.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 11.6 t . . . . . 0 CA--C 1.533 0.316 0 C-N-CA 125.373 1.469 . . . . 20.0 109.488 178.007 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 . . . . . 0 CA--C 1.531 0.238 0 CA-C-O 121.145 0.498 . . . . 20.0 110.718 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.4 t -80.73 112.26 17.94 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.338 1.055 . . . . 20.0 109.802 -176.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.09 161.12 34.37 Favored Pre-proline 0 CA--C 1.54 0.583 0 C-N-CA 125.861 1.665 . . . . 20.0 110.13 -175.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -69.45 156.22 64.77 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 122.603 2.202 . . . . 20.0 111.041 170.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.2 mt -63.46 -28.59 70.07 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.169 1.388 . . . . 20.0 111.926 178.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -56.38 -30.86 63.23 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.791 1.637 . . . . 20.0 112.888 175.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -76.72 134.12 39.3 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 124.924 1.289 . . . . 20.0 110.292 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -101.15 105.62 16.79 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.935 1.294 . . . . 20.0 110.896 -178.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.9 t -146.08 -76.94 0.19 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.502 1.521 . . . . 20.0 109.3 173.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -151.84 162.55 40.86 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.273 1.829 . . . . 20.0 108.358 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -141.96 96.68 3.01 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.56 1.144 . . . . 20.0 108.946 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.86 172.4 2.28 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.922 1.689 . . . . 20.0 111.101 175.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -106.1 -45.44 4.33 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.41 1.084 . . . . 20.0 112.013 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.26 -36.44 17.92 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.642 0.777 . . . . 20.0 111.561 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -84.43 -27.67 27.41 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.259 0.624 . . . . 20.0 112.096 -174.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.6 m -73.41 -27.24 61.34 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 118.536 0.607 . . . . 20.0 111.383 169.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.47 -26.18 58.0 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.769 0.828 . . . . 20.0 112.276 172.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -71.69 -35.5 70.28 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.439 1.096 . . . . 20.0 110.985 170.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.4 m -67.41 -18.68 65.2 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.364 1.466 . . . . 20.0 112.616 166.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.24 167.35 41.37 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.829 1.681 . . . . 20.0 113.032 -177.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.6 ptmm? -66.5 112.07 3.91 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.862 1.265 . . . . 20.0 111.139 176.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.28 -13.01 7.07 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.234 1.397 . . . . 20.0 113.403 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -134.77 170.81 15.28 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.08 1.752 . . . . 20.0 109.611 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.48 -179.85 7.15 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.497 1.519 . . . . 20.0 111.376 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.8 t -122.39 142.62 50.33 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.903 0.881 . . . . 20.0 110.554 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 28.4 t . . . . . 0 N--CA 1.467 0.424 0 C-N-CA 126.049 1.74 . . . . 20.0 110.219 175.204 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 . . . . . 0 C--O 1.234 0.253 0 CA-C-O 121.663 0.744 . . . . 20.0 111.625 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.2 m -76.0 94.18 3.37 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.936 1.695 . . . . 20.0 109.74 172.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -85.12 158.09 58.78 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 124.911 1.284 . . . . 20.0 110.3 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.1 153.26 67.53 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.773 2.316 . . . . 20.0 110.027 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.9 mt -65.94 -32.05 73.32 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.99 0.916 . . . . 20.0 112.021 -178.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -62.5 -14.61 43.46 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.747 1.619 . . . . 20.0 114.13 173.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -65.96 134.5 53.08 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 124.338 1.055 . . . . 20.0 110.413 175.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -75.84 71.89 2.7 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.281 1.433 . . . . 20.0 109.981 171.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.5 t -149.17 174.98 11.77 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.468 1.507 . . . . 20.0 110.376 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -66.25 159.04 27.4 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.894 1.278 . . . . 20.0 111.413 -176.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -140.08 112.26 7.68 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 126.074 1.75 . . . . 20.0 108.917 175.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.85 -170.69 0.93 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.472 1.909 . . . . 20.0 111.012 175.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -123.94 -27.78 3.87 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 114.336 1.236 . . . . 20.0 114.336 -174.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.74 -25.58 5.88 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.129 1.371 . . . . 20.0 111.525 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -89.31 -24.86 21.92 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.81 1.244 . . . . 20.0 111.491 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.1 p -67.04 -37.6 84.38 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.229 0.612 . . . . 20.0 111.182 167.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.96 -19.99 63.34 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.794 1.238 . . . . 20.0 112.961 177.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.6 t -63.45 -34.68 78.29 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.215 1.006 . . . . 20.0 111.558 174.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 69.9 m -76.75 -12.07 59.93 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.417 1.487 . . . . 20.0 114.169 174.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.26 173.53 46.19 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.451 1.5 . . . . 20.0 112.335 -177.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.411 ' HE3' ' N ' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -77.04 102.43 6.48 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.709 1.204 . . . . 20.0 109.22 -177.467 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 140.29 -9.53 2.97 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.424 1.488 . . . . 20.0 113.549 -178.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -141.82 171.25 14.32 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.98 1.712 . . . . 20.0 110.294 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.0 170.6 16.78 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.216 1.406 . . . . 20.0 111.334 177.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.9 t -91.75 116.47 28.92 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 109.976 -0.379 . . . . 20.0 109.976 172.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 38.2 t . . . . . 0 CA--C 1.536 0.413 0 C-N-CA 124.374 1.07 . . . . 20.0 109.931 168.572 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 . . . . . 0 N--CA 1.463 0.178 0 CA-C-O 120.888 0.375 . . . . 20.0 110.667 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.5 m -111.84 105.43 13.89 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.7 1.2 . . . . 20.0 109.101 -177.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -131.68 157.28 78.61 Favored Pre-proline 0 CA--C 1.538 0.515 0 C-N-CA 126.934 2.094 . . . . 20.0 109.412 -174.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.34 157.33 62.27 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.376 2.05 . . . . 20.0 111.32 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -61.65 -33.29 73.71 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.162 1.385 . . . . 20.0 111.78 178.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -62.03 -17.2 56.54 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.868 1.667 . . . . 20.0 114.081 177.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -62.84 129.35 40.07 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.297 1.039 . . . . 20.0 110.299 178.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -88.26 79.43 7.82 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.211 1.004 . . . . 20.0 110.544 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.5 p -155.57 -178.61 7.41 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.842 1.657 . . . . 20.0 111.252 174.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -68.61 163.82 22.83 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.345 1.458 . . . . 20.0 110.719 177.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -154.76 -177.4 6.48 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.958 0.903 . . . . 20.0 112.063 177.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.9 mt -131.44 -176.68 4.11 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.386 1.874 . . . . 20.0 110.46 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -113.25 -40.32 3.94 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.671 1.188 . . . . 20.0 111.682 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.81 -40.59 32.51 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.798 0.839 . . . . 20.0 111.735 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -85.14 -21.39 29.27 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.032 0.933 . . . . 20.0 112.214 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.3 t -61.12 -43.48 98.82 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.38 0.672 . . . . 20.0 110.868 169.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.4 -20.77 64.7 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.558 1.143 . . . . 20.0 113.356 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.4 m -67.99 -34.27 76.21 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 123.683 0.793 . . . . 20.0 111.731 177.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 10.8 m -79.91 -8.11 59.13 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.963 1.305 . . . . 20.0 114.367 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.8 179.46 36.1 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 124.224 0.916 . . . . 20.0 113.342 175.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -62.03 114.6 3.49 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.878 2.071 . . . . 20.0 111.072 -173.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.15 7.53 60.84 Favored Glycine 0 CA--C 1.534 1.244 0 CA-C-O 118.764 -1.02 . . . . 20.0 114.739 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -116.29 165.99 12.55 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.449 1.5 . . . . 20.0 110.285 176.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -146.33 178.05 8.54 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.189 1.395 . . . . 20.0 111.454 176.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.9 t -84.89 164.51 18.34 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 122.415 0.286 . . . . 20.0 111.053 172.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.341 0.211 0 C-N-CA 125.582 1.553 . . . . 20.0 109.929 172.944 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 C--O 1.233 0.213 0 CA-C-O 121.425 0.631 . . . . 20.0 109.699 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 79.3 m -87.05 87.41 7.45 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.604 1.562 . . . . 20.0 110.357 -168.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -87.88 162.02 42.55 Favored Pre-proline 0 CA--C 1.541 0.609 0 C-N-CA 126.202 1.801 . . . . 20.0 110.356 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.47 155.24 69.77 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.53 2.153 . . . . 20.0 110.289 169.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.3 mt -62.68 -38.78 91.72 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.564 1.146 . . . . 20.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -79.93 64.34 4.75 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.615 1.566 . . . . 20.0 110.865 175.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -132.91 149.62 52.23 Favored 'General case' 0 C--N 1.341 0.239 0 C-N-CA 124.888 1.275 . . . . 20.0 111.396 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -72.69 20.69 0.07 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.462 2.305 . . . . 20.0 114.765 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.4 t -109.65 175.06 5.59 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.692 1.597 . . . . 20.0 111.659 -178.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -65.56 160.14 23.07 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.149 1.779 . . . . 20.0 110.606 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -140.2 113.96 8.79 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.885 1.674 . . . . 20.0 109.293 172.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.14 175.74 6.48 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.507 1.523 . . . . 20.0 111.064 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -116.84 -21.55 8.95 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.445 1.098 . . . . 20.0 113.936 -175.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.22 -15.6 12.7 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.3 1.44 . . . . 20.0 112.968 176.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -118.98 -6.07 10.51 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 125.353 1.461 . . . . 20.0 112.922 -174.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.8 p -65.95 -45.1 83.01 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.372 0.669 . . . . 20.0 110.691 166.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.51 -14.06 62.0 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.165 1.386 . . . . 20.0 113.69 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t -68.4 -32.74 73.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.972 0.909 . . . . 20.0 111.79 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 35.2 m -69.62 -35.88 75.66 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.213 1.005 . . . . 20.0 112.303 170.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 131.56 174.88 13.78 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 125.15 1.357 . . . . 20.0 112.166 177.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -71.63 107.26 4.39 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.032 1.333 . . . . 20.0 109.056 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.44 2.16 21.44 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.95 1.262 . . . . 20.0 114.387 -178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -134.13 169.67 16.82 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.962 1.381 . . . . 20.0 110.446 178.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.29 157.97 43.23 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.347 1.059 . . . . 20.0 112.148 175.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.1 t -75.53 151.94 37.87 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.36 1.064 . . . . 20.0 109.869 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 10.3 t . . . . . 0 CA--C 1.534 0.341 0 C-N-CA 125.401 1.48 . . . . 20.0 110.592 -176.871 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 121.137 0.494 . . . . 20.0 110.787 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.6 t -84.14 105.05 14.7 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.512 1.525 . . . . 20.0 109.103 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -131.12 161.68 60.25 Favored Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 125.067 1.347 . . . . 20.0 111.356 -177.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.41 167.68 19.94 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.925 2.417 . . . . 20.0 112.036 173.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.4 -34.51 76.88 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.594 1.557 . . . . 20.0 111.235 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -82.21 63.17 6.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.561 1.544 . . . . 20.0 111.17 172.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -140.86 159.43 42.23 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.666 1.186 . . . . 20.0 111.768 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -81.44 52.63 1.9 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.898 1.679 . . . . 20.0 112.89 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.6 m -135.04 167.3 21.2 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.564 1.546 . . . . 20.0 110.244 167.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.69 173.56 2.76 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.473 1.909 . . . . 20.0 110.5 169.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -124.65 101.64 7.21 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.15 1.78 . . . . 20.0 108.593 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -64.96 -176.53 0.28 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.979 2.512 . . . . 20.0 111.633 174.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -123.02 -44.59 2.17 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.674 1.189 . . . . 20.0 111.868 174.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.48 -31.85 32.74 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.599 0.76 . . . . 20.0 113.015 -175.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -101.26 -25.32 14.03 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.253 1.421 . . . . 20.0 111.576 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.9 t -72.49 12.56 0.45 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.457 1.903 . . . . 20.0 112.543 167.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -118.68 1.84 11.65 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.434 1.894 . . . . 20.0 112.407 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.3 m -114.3 -18.41 11.59 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.797 1.239 . . . . 20.0 113.702 -169.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 9.6 m -77.71 -17.38 57.68 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.721 1.209 . . . . 20.0 113.987 177.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.17 -123.97 5.84 Favored Glycine 0 C--N 1.344 1.024 0 C-N-CA 124.723 1.154 . . . . 20.0 110.928 -174.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -130.46 155.02 47.15 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.718 1.607 . . . . 20.0 110.254 176.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.67 27.9 68.35 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.454 1.026 . . . . 20.0 113.51 -176.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -136.06 167.32 21.46 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.985 1.714 . . . . 20.0 112.657 -163.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -156.84 179.27 9.44 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.768 1.627 . . . . 20.0 110.613 164.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.1 t -135.18 159.24 42.15 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.495 1.118 . . . . 20.0 111.013 173.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 59.8 m . . . . . 0 CA--C 1.546 0.821 0 C-N-CA 125.974 1.71 . . . . 20.0 112.007 -179.163 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 C--O 1.234 0.26 0 CA-C-O 122.215 1.007 . . . . 20.0 111.893 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.1 m -105.38 131.97 52.15 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.907 1.683 . . . . 20.0 110.012 -174.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -136.17 163.7 48.28 Favored Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 126.226 1.81 . . . . 20.0 109.946 -169.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.55 161.43 43.55 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.473 2.115 . . . . 20.0 110.952 175.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.1 mt -63.8 -32.64 74.21 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.336 1.054 . . . . 20.0 111.113 175.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -62.46 -15.7 51.18 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.891 1.676 . . . . 20.0 114.164 175.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -70.28 144.48 51.76 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.091 0.859 . . . . 20.0 110.553 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -82.56 18.66 1.45 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.077 0.951 . . . . 20.0 113.234 172.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 m -64.03 168.73 4.98 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.547 -0.721 . . . . 20.0 110.945 160.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -66.95 172.47 4.43 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.438 1.095 . . . . 20.0 111.179 171.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -137.38 99.32 3.93 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.854 1.662 . . . . 20.0 108.96 176.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.55 178.19 1.71 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.073 1.749 . . . . 20.0 111.042 176.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -112.11 -19.59 12.24 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.859 1.059 . . . . 20.0 113.859 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -123.06 -17.76 6.59 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.901 1.28 . . . . 20.0 113.244 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -101.63 -16.66 16.65 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.66 1.184 . . . . 20.0 112.153 173.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.6 t -66.61 -50.7 62.15 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.97 0.805 . . . . 20.0 111.117 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.86 -20.39 64.27 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.773 0.829 . . . . 20.0 113.146 174.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 t -68.15 -27.34 66.35 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.29 1.036 . . . . 20.0 112.083 175.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 57.5 m -74.74 -11.55 60.19 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 114.11 1.152 . . . . 20.0 114.11 175.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.72 174.68 20.33 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 125.155 1.359 . . . . 20.0 112.82 174.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -66.39 112.46 4.05 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.865 1.666 . . . . 20.0 109.811 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.44 13.09 56.36 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-O 118.534 -1.148 . . . . 20.0 114.453 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -130.02 171.19 13.06 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.171 1.389 . . . . 20.0 111.446 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -147.39 166.95 25.64 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.139 1.776 . . . . 20.0 111.093 176.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 49.3 t -103.16 141.36 35.99 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.061 1.345 . . . . 20.0 110.067 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 73.5 m . . . . . 0 CA--C 1.545 0.782 0 C-N-CA 124.475 1.11 . . . . 20.0 111.261 171.169 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.3 tp . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 119.164 -0.446 . . . . 20.0 110.777 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.1 m -103.95 139.16 39.49 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.115 1.366 . . . . 20.0 109.279 -173.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.46 -1.45 64.22 Favored Glycine 0 CA--C 1.537 1.431 0 CA-C-O 118.672 -1.071 . . . . 20.0 114.037 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.2 m -136.72 -178.41 5.17 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.958 2.103 . . . . 20.0 110.244 174.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -95.09 -66.87 0.88 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.44 1.496 . . . . 20.0 110.645 176.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.15 -72.06 0.03 OUTLIER Glycine 0 C--N 1.343 0.971 0 CA-C-N 118.729 0.695 . . . . 20.0 112.843 -176.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -63.0 -23.51 67.48 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.457 1.103 . . . . 20.0 112.265 175.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 162.0 -7.8 0.09 OUTLIER Glycine 0 CA--C 1.533 1.164 0 CA-C-O 118.352 -1.249 . . . . 20.0 114.634 172.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.46 -131.45 19.49 Favored Glycine 0 CA--C 1.53 0.996 0 CA-C-N 119.818 1.809 . . . . 20.0 110.216 -172.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -135.02 132.84 38.76 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.991 1.316 . . . . 20.0 110.999 176.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.4 m -80.87 130.81 35.24 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.434 1.494 . . . . 20.0 110.879 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -133.96 160.97 66.5 Favored Pre-proline 0 CA--C 1.54 0.58 0 C-N-CA 126.924 2.089 . . . . 20.0 110.495 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.14 157.56 59.1 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.782 2.322 . . . . 20.0 111.031 172.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.4 mt -66.4 -38.65 87.98 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.193 1.397 . . . . 20.0 110.961 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -84.6 63.35 7.86 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.104 1.362 . . . . 20.0 110.646 173.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -132.32 152.3 51.47 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 125.49 1.516 . . . . 20.0 110.68 176.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -87.44 73.69 9.5 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.067 0.947 . . . . 20.0 110.166 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.8 p -158.12 172.95 17.47 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.034 1.334 . . . . 20.0 110.878 168.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.87 169.21 0.78 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.636 1.974 . . . . 20.0 112.321 -174.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -152.59 149.79 28.85 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.61 0.764 . . . . 20.0 111.055 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.9 mt -134.03 175.02 9.86 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 126.496 1.918 . . . . 20.0 109.853 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -119.05 -33.49 4.15 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.958 1.303 . . . . 20.0 111.826 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.13 -30.84 39.1 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.384 1.074 . . . . 20.0 112.569 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -105.81 -12.35 15.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.148 0.979 . . . . 20.0 113.015 -176.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.2 p -65.49 -22.87 66.78 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.284 0.947 . . . . 20.0 112.121 170.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.87 -20.75 64.28 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.858 1.663 . . . . 20.0 113.35 173.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.8 t -67.33 -39.92 85.89 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.354 1.061 . . . . 20.0 110.597 173.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 61.2 m -74.27 -20.64 60.08 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.147 1.379 . . . . 20.0 112.856 171.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.43 -136.05 12.6 Favored Glycine 0 C--N 1.341 0.816 0 C-N-CA 125.854 1.692 . . . . 20.0 111.18 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -112.03 111.12 21.82 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.146 1.778 . . . . 20.0 108.68 -178.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.33 -1.98 11.42 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.917 1.246 . . . . 20.0 114.509 176.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -140.07 169.49 17.61 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.296 1.438 . . . . 20.0 111.14 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.73 167.1 22.89 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.185 1.394 . . . . 20.0 111.651 178.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 34.8 t -85.75 144.09 27.96 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.197 0.999 . . . . 20.0 110.033 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.6 m -136.4 171.25 14.76 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.855 1.262 . . . . 20.0 112.185 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.7 m -121.94 -176.76 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 127.019 2.128 . . . . 20.0 110.62 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 2.1 p90 -135.14 -20.1 1.69 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.156 1.783 . . . . 20.0 112.834 -175.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -75.07 172.45 12.33 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.421 1.088 . . . . 20.0 112.136 176.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 . . . . . 0 C--O 1.251 1.163 0 CA-C-O 116.939 -1.505 . . . . 20.0 111.218 -174.888 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 54.1 tp . . . . . 0 N--CA 1.474 0.732 0 CA-C-O 120.376 0.131 . . . . 20.0 110.713 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.6 m -111.95 -64.31 1.31 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.283 1.433 . . . . 20.0 109.115 175.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -159.28 -152.24 6.4 Favored Glycine 0 C--N 1.339 0.731 0 C-N-CA 125.306 1.432 . . . . 20.0 111.901 -174.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.9 m -74.18 -179.84 4.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.426 1.89 . . . . 20.0 112.404 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -113.85 -10.1 13.01 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.82 1.648 . . . . 20.0 113.695 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.54 -45.65 1.26 Allowed Glycine 0 C--N 1.346 1.113 0 C-N-CA 124.988 1.28 . . . . 20.0 112.092 174.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.84 -30.1 7.42 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.896 1.278 . . . . 20.0 110.925 173.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.97 6.73 55.12 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 125.247 1.403 . . . . 20.0 114.4 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.8 159.6 13.65 Favored Glycine 0 C--N 1.342 0.91 0 C-N-CA 124.801 1.191 . . . . 20.0 112.456 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -83.13 164.34 20.3 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.154 1.382 . . . . 20.0 110.905 176.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 87.1 m -131.67 112.12 12.29 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.543 1.137 . . . . 20.0 108.832 170.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -133.85 157.83 76.87 Favored Pre-proline 0 CA--C 1.537 0.463 0 C-N-CA 126.527 1.931 . . . . 20.0 109.736 -173.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.47 157.81 60.29 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.462 2.108 . . . . 20.0 111.201 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.59 -27.09 69.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.796 1.638 . . . . 20.0 111.451 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -59.07 -25.11 63.47 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.937 2.095 . . . . 20.0 114.215 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -72.21 149.58 44.47 Favored 'General case' 0 C--N 1.344 0.338 0 C-N-CA 123.791 0.837 . . . . 20.0 110.338 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -80.19 99.78 7.97 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 108.951 -0.759 . . . . 20.0 108.951 167.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.6 m -151.36 165.93 32.57 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 126.209 1.804 . . . . 20.0 110.094 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -65.21 144.5 57.14 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.664 1.186 . . . . 20.0 109.052 169.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -127.33 99.42 5.64 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 124.161 0.985 . . . . 20.0 109.49 -176.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.52 168.03 17.14 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.598 1.559 . . . . 20.0 111.433 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -110.82 -29.2 8.07 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.892 1.071 . . . . 20.0 113.892 -173.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.91 7.19 10.38 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.948 1.699 . . . . 20.0 111.795 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -126.66 -17.57 4.99 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.55 1.54 . . . . 20.0 112.153 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.6 t -64.89 -39.7 93.95 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.925 0.89 . . . . 20.0 110.786 168.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.66 -18.22 65.25 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.154 1.382 . . . . 20.0 113.774 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.0 m -65.28 -28.74 69.54 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.124 0.969 . . . . 20.0 112.217 177.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 89.4 m -77.86 -51.63 10.15 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.722 1.209 . . . . 20.0 111.104 172.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 139.26 176.8 14.97 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 125.315 1.436 . . . . 20.0 111.652 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.88 133.83 51.75 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.559 0.744 . . . . 20.0 110.491 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.11 -0.3 87.41 Favored Glycine 0 CA--C 1.536 1.365 0 CA-C-O 118.557 -1.135 . . . . 20.0 114.586 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -126.02 165.29 19.07 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.9 1.35 . . . . 20.0 110.3 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -139.63 177.28 8.05 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.837 1.655 . . . . 20.0 110.946 174.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.3 t -120.37 108.76 14.52 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 124.291 1.036 . . . . 20.0 110.584 -176.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.4 t -78.98 167.5 21.03 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.28 1.432 . . . . 20.0 111.182 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.3 m -130.37 146.57 33.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 125.302 1.441 . . . . 20.0 109.522 170.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 3.6 p90 -75.17 -14.73 60.57 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.04 1.336 . . . . 20.0 112.793 173.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 41.75 72.1 0.18 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 128.384 2.674 . . . . 20.0 111.771 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.098 0 CA-C-O 116.463 -1.732 . . . . 20.0 112.927 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 118.756 -0.64 . . . . 20.0 112.686 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.9 t -113.22 167.74 10.3 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.74 1.616 . . . . 20.0 110.58 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.26 108.47 0.24 Allowed Glycine 0 C--N 1.343 0.927 0 CA-C-O 120.038 -0.312 . . . . 20.0 113.158 -175.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.4 t -53.53 -46.22 70.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.549 1.94 . . . . 20.0 112.906 174.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.04 -32.84 1.38 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.412 1.085 . . . . 20.0 113.405 174.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 148.38 0.24 0.53 Allowed Glycine 0 CA--C 1.536 1.387 0 CA-C-O 117.977 -1.457 . . . . 20.0 116.024 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -123.21 -54.47 1.8 Allowed 'General case' 0 C--N 1.345 0.396 0 CA-C-N 119.685 1.742 . . . . 20.0 110.301 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.97 -49.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 C-N-CA 125.325 1.441 . . . . 20.0 110.733 172.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 127.17 -172.46 18.61 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 125.871 1.701 . . . . 20.0 111.562 -178.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -135.62 167.55 20.9 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.447 1.099 . . . . 20.0 109.929 169.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.1 m -121.3 66.13 0.88 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.126 1.37 . . . . 20.0 109.717 -171.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -72.73 156.22 90.17 Favored Pre-proline 0 CA--C 1.539 0.556 0 C-N-CA 124.866 1.266 . . . . 20.0 111.09 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.38 157.12 53.81 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 123.301 2.668 . . . . 20.0 110.507 173.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.3 mt -61.72 -34.51 75.93 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.738 1.215 . . . . 20.0 112.168 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -62.78 -13.73 36.67 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.15 1.38 . . . . 20.0 114.073 177.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.8 tpt85 -66.56 134.51 52.52 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 124.302 1.041 . . . . 20.0 110.201 173.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -72.88 86.53 1.28 Allowed 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.096 0.958 . . . . 20.0 109.598 169.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.7 t -158.29 173.82 16.09 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.828 1.651 . . . . 20.0 110.109 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -70.94 174.53 6.05 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.87 1.268 . . . . 20.0 111.16 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -139.91 152.83 46.71 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.066 1.746 . . . . 20.0 109.773 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt -127.38 -174.72 3.24 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.315 1.846 . . . . 20.0 109.754 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -129.4 -36.18 1.7 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.81 1.244 . . . . 20.0 112.478 177.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.15 -46.72 27.24 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.062 0.945 . . . . 20.0 110.805 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -83.32 -25.77 31.2 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.31 0.644 . . . . 20.0 111.803 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.3 t -76.03 -1.31 25.2 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.476 1.111 . . . . 20.0 112.509 172.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.27 14.14 32.77 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.984 1.714 . . . . 20.0 111.97 172.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 t -128.49 13.36 6.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.748 1.619 . . . . 20.0 113.763 -171.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.6 m -128.81 -16.28 4.21 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 115.117 1.525 . . . . 20.0 115.117 -170.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 124.74 -125.55 5.75 Favored Glycine 0 C--N 1.345 1.029 0 C-N-CA 124.978 1.275 . . . . 20.0 112.274 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -135.07 149.08 50.03 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.871 1.669 . . . . 20.0 109.971 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.47 19.42 76.2 Favored Glycine 0 CA--C 1.537 1.409 0 CA-C-O 118.919 -0.934 . . . . 20.0 114.131 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -122.79 174.21 7.27 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.195 1.798 . . . . 20.0 112.222 -170.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.37 169.06 25.46 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.034 1.734 . . . . 20.0 110.327 161.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 11.5 t -93.62 110.42 22.03 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 122.832 0.453 . . . . 20.0 110.022 173.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 36.1 t -80.73 134.48 35.84 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.36 1.064 . . . . 20.0 110.347 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.0 m -118.08 141.99 34.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 126.562 1.945 . . . . 20.0 108.804 174.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -69.87 -33.52 72.36 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.772 0.829 . . . . 20.0 112.268 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 pp -79.67 170.08 17.06 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.738 1.615 . . . . 20.0 111.487 176.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 64.5 t60 . . . . . 0 C--O 1.251 1.151 0 CA-C-O 117.04 -1.457 . . . . 20.0 111.119 176.933 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.2 tp . . . . . 0 N--CA 1.474 0.736 0 CA-C-O 119.35 -0.357 . . . . 20.0 110.76 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.1 m -112.32 -25.86 9.04 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.521 1.128 . . . . 20.0 111.865 -174.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.34 -30.28 0.24 Allowed Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.394 0.997 . . . . 20.0 114.162 168.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 55.4 m -143.77 174.55 10.71 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.33 1.452 . . . . 20.0 111.195 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -134.16 -11.79 2.52 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.585 1.554 . . . . 20.0 112.938 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.5 -23.42 31.56 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 126.243 1.877 . . . . 20.0 113.559 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -135.44 -20.41 1.61 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.977 1.311 . . . . 20.0 112.943 175.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.04 -5.82 71.83 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.686 1.136 . . . . 20.0 113.893 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.37 -173.77 13.26 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 127.175 2.321 . . . . 20.0 110.485 176.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -129.59 143.0 50.63 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.809 0.844 . . . . 20.0 111.743 -170.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.8 m -85.49 91.58 8.27 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 126.068 1.747 . . . . 20.0 109.348 174.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -96.81 161.6 25.93 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 126.062 1.745 . . . . 20.0 109.653 177.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -64.91 164.21 25.47 Favored 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 122.42 2.08 . . . . 20.0 112.138 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -62.08 -31.13 71.53 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.749 1.22 . . . . 20.0 111.05 173.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -60.6 -17.85 49.21 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.474 2.31 . . . . 20.0 114.279 173.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.76 137.12 57.6 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 124.744 1.218 . . . . 20.0 110.396 177.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -82.19 80.18 8.48 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.022 -0.733 . . . . 20.0 109.022 167.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.6 p -149.85 173.99 13.15 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.953 1.301 . . . . 20.0 111.127 174.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -68.67 165.26 19.77 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.26 1.024 . . . . 20.0 111.316 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -137.67 155.88 48.64 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.749 1.22 . . . . 20.0 110.254 -174.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.4 mt -126.01 -175.69 3.43 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.434 1.894 . . . . 20.0 110.296 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -125.39 -39.51 2.18 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 124.827 1.251 . . . . 20.0 112.15 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.84 -46.92 27.79 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.336 1.055 . . . . 20.0 110.785 172.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -87.46 -29.23 21.56 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 123.481 0.712 . . . . 20.0 112.651 -173.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.4 t -65.91 -34.25 77.7 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.434 0.694 . . . . 20.0 110.842 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.86 -34.28 77.45 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.754 1.222 . . . . 20.0 112.361 171.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.3 m -71.26 -29.0 64.56 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.266 1.026 . . . . 20.0 113.021 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 40.3 m -71.43 -12.44 61.41 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.247 1.203 . . . . 20.0 114.247 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.48 157.72 33.95 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 125.098 1.332 . . . . 20.0 112.073 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.07 101.64 3.96 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.57 1.148 . . . . 20.0 110.047 -171.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 132.84 -8.84 5.2 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 126.414 1.959 . . . . 20.0 113.161 -173.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.8 mp0 -134.6 161.05 36.18 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.465 1.506 . . . . 20.0 110.902 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -139.49 165.52 27.01 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.843 2.457 . . . . 20.0 110.208 178.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 11.5 t -98.0 112.37 24.33 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.126 0.57 . . . . 20.0 110.425 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 70.4 m -71.75 155.8 40.05 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.73 0.812 . . . . 20.0 110.558 170.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.7 m -66.11 141.5 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 123.219 0.608 . . . . 20.0 109.637 163.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 2.1 p90 -72.03 -18.28 61.97 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.15 0.98 . . . . 20.0 112.273 172.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.26 103.41 1.24 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.263 1.825 . . . . 20.0 109.53 -177.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.3 t60 . . . . . 0 C--O 1.263 1.803 0 C-N-CA 125.08 1.352 . . . . 20.0 111.141 -176.199 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.0 tp . . . . . 0 N--CA 1.467 0.399 0 N-CA-C 110.781 -0.081 . . . . 20.0 110.781 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.8 m -100.56 -32.64 10.67 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.969 1.307 . . . . 20.0 111.283 173.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.93 4.68 1.51 Allowed Glycine 0 CA--C 1.534 1.228 0 N-CA-C 116.113 1.205 . . . . 20.0 116.113 169.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.4 m -152.67 -171.49 3.95 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.317 1.847 . . . . 20.0 108.653 173.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -55.97 -21.85 23.31 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.826 1.25 . . . . 20.0 114.172 176.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.85 -32.38 2.13 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 125.518 1.532 . . . . 20.0 112.538 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -77.86 -15.4 59.07 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.247 1.419 . . . . 20.0 113.094 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.53 -30.6 1.94 Allowed Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.687 1.613 . . . . 20.0 113.956 -178.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.17 -141.46 37.49 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 126.046 1.784 . . . . 20.0 112.067 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -133.67 154.84 50.61 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.657 1.583 . . . . 20.0 109.987 169.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.7 m -80.96 89.26 5.89 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.675 1.19 . . . . 20.0 109.471 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -84.77 155.69 61.6 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 124.851 1.26 . . . . 20.0 110.725 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.21 155.73 63.77 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.575 2.183 . . . . 20.0 110.528 176.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.09 -33.64 76.23 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.259 1.024 . . . . 20.0 111.914 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -64.23 -16.31 61.78 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.616 1.567 . . . . 20.0 114.031 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 -66.14 160.42 24.1 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.144 0.978 . . . . 20.0 110.233 171.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -105.75 108.28 19.71 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.869 1.267 . . . . 20.0 108.81 172.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.1 -175.14 4.7 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.699 1.199 . . . . 20.0 111.465 178.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -55.32 -52.41 63.56 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.793 1.637 . . . . 20.0 111.706 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 60.46 98.1 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 128.159 2.584 . . . . 20.0 112.783 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.1 mt -72.29 172.04 11.03 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.389 1.076 . . . . 20.0 111.111 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -117.2 -41.95 2.95 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 124.539 1.135 . . . . 20.0 112.382 -176.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.64 -17.81 32.91 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.814 0.845 . . . . 20.0 112.177 173.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -116.86 -6.48 11.49 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.466 1.106 . . . . 20.0 112.539 -168.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.5 p -63.57 -33.26 75.2 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.405 0.682 . . . . 20.0 111.682 162.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.67 -9.69 57.68 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.701 1.601 . . . . 20.0 114.027 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.3 t -65.13 -45.09 86.5 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.026 0.93 . . . . 20.0 110.938 172.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 36.5 m -70.8 -12.85 61.8 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.77 1.228 . . . . 20.0 113.166 171.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.43 179.3 38.14 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 125.559 1.552 . . . . 20.0 112.961 176.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -61.48 118.06 6.52 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.698 1.599 . . . . 20.0 110.595 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.49 -2.0 39.7 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.962 1.267 . . . . 20.0 114.969 174.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -128.64 170.32 13.39 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.238 1.415 . . . . 20.0 110.16 178.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -139.42 168.18 20.41 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.738 0.815 . . . . 20.0 113.062 176.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.3 t -92.23 134.1 35.2 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 125.278 1.431 . . . . 20.0 109.563 175.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 67.6 m -138.3 154.73 49.01 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.018 1.727 . . . . 20.0 109.771 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.9 m -137.43 132.78 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 C-N-CA 125.669 1.587 . . . . 20.0 110.145 175.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -61.43 -18.06 57.13 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.502 1.521 . . . . 20.0 114.022 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.1 tt -68.1 -34.61 76.7 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.093 1.357 . . . . 20.0 112.065 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.5 t60 . . . . . 0 C--O 1.247 0.94 0 C-N-CA 124.662 1.185 . . . . 20.0 109.669 -173.598 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.2 tp . . . . . 0 N--CA 1.468 0.472 0 CA-C-O 120.659 0.266 . . . . 20.0 111.381 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.8 t -82.02 171.04 14.86 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.323 1.449 . . . . 20.0 111.295 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.08 104.27 1.47 Allowed Glycine 0 CA--C 1.528 0.9 0 C-N-CA 124.593 1.092 . . . . 20.0 111.119 175.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 32.3 m -63.96 -28.88 70.12 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 125.014 1.326 . . . . 20.0 114.466 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -54.37 -31.3 54.42 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.389 1.476 . . . . 20.0 112.772 175.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.31 -34.19 29.93 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-O 119.141 -0.811 . . . . 20.0 113.426 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -73.45 -40.28 64.3 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.285 1.434 . . . . 20.0 112.242 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 130.16 1.63 5.26 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.472 1.51 . . . . 20.0 113.636 -172.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -88.03 -178.71 47.41 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 125.438 1.494 . . . . 20.0 112.525 174.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -134.45 166.75 22.13 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.384 1.473 . . . . 20.0 110.837 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.2 m -114.94 118.68 34.14 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.751 1.621 . . . . 20.0 109.376 175.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -144.05 160.98 47.58 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 126.445 1.898 . . . . 20.0 109.711 -168.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -69.01 162.19 42.7 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.343 2.029 . . . . 20.0 111.605 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.3 mt -61.2 -33.94 74.27 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.444 1.498 . . . . 20.0 111.837 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -58.66 -23.1 58.61 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.493 1.917 . . . . 20.0 114.048 176.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -63.38 151.15 41.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.311 1.044 . . . . 20.0 111.191 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -91.2 83.94 5.6 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.503 1.121 . . . . 20.0 110.002 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.0 t -160.91 178.67 9.17 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.793 1.237 . . . . 20.0 111.554 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -61.83 159.02 14.61 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.987 1.715 . . . . 20.0 110.782 173.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -136.77 107.01 6.38 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.936 1.694 . . . . 20.0 109.393 -178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.1 mt -79.2 -176.86 5.37 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.06 1.344 . . . . 20.0 111.489 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -124.76 -41.21 2.14 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.459 1.104 . . . . 20.0 111.995 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.79 -38.14 33.71 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.714 0.806 . . . . 20.0 112.009 176.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -100.02 -13.04 19.23 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.787 0.835 . . . . 20.0 112.781 -176.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.7 t -65.78 -44.53 85.52 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.55 0.74 . . . . 20.0 110.758 172.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.59 -23.88 64.52 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.215 1.006 . . . . 20.0 112.861 173.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.4 t -70.11 -30.46 67.67 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.038 0.935 . . . . 20.0 112.112 177.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 93.8 m -68.15 -61.06 2.03 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 123.846 0.858 . . . . 20.0 109.987 167.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.89 -179.74 29.1 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 123.873 0.749 . . . . 20.0 112.476 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -63.83 141.82 58.63 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.087 0.955 . . . . 20.0 110.367 170.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.78 10.56 58.64 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.308 0.956 . . . . 20.0 113.939 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -128.37 166.51 18.55 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 125.307 1.443 . . . . 20.0 110.418 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -145.72 174.95 10.76 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.612 1.565 . . . . 20.0 110.374 173.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 14.8 t -109.46 127.39 54.38 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 123.891 0.876 . . . . 20.0 110.335 173.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 40.9 t -94.5 150.43 20.26 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.839 1.656 . . . . 20.0 110.676 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.7 m -74.07 -179.87 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 125.588 1.555 . . . . 20.0 111.517 170.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -126.93 -58.33 1.3 Allowed 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 125.62 1.568 . . . . 20.0 109.523 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.6 mt 54.79 4.42 0.07 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 128.084 2.553 . . . . 20.0 115.462 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 38.7 t60 . . . . . 0 C--O 1.253 1.252 0 C-N-CA 125.471 1.508 . . . . 20.0 111.74 -167.336 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 pt? . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 113.749 1.018 . . . . 20.0 113.749 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.9 p -99.28 -174.68 2.8 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 126.978 2.111 . . . . 20.0 111.061 174.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -167.13 108.17 0.3 Allowed Glycine 0 C--N 1.342 0.891 0 N-CA-C 108.295 -1.922 . . . . 20.0 108.295 176.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.3 m 54.62 -175.5 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 126.284 1.834 . . . . 20.0 112.352 -173.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -61.01 -50.88 71.56 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.695 1.198 . . . . 20.0 112.42 -178.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.36 15.47 3.92 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 126.522 2.01 . . . . 20.0 112.058 -176.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt 59.79 22.36 11.24 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.39 1.876 . . . . 20.0 115.027 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.13 16.18 5.95 Favored Glycine 0 CA--C 1.542 1.733 0 C-N-CA 125.803 1.668 . . . . 20.0 113.91 169.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.69 -173.01 35.39 Favored Glycine 0 C--N 1.34 0.784 0 C-N-CA 126.189 1.852 . . . . 20.0 110.639 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -129.72 159.78 35.4 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.886 1.275 . . . . 20.0 111.542 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.8 m -77.9 92.95 4.32 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.087 1.355 . . . . 20.0 109.084 171.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -98.5 164.54 16.88 Favored Pre-proline 0 CA--C 1.538 0.507 0 C-N-CA 126.835 2.054 . . . . 20.0 109.883 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -66.18 160.51 44.54 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.386 2.057 . . . . 20.0 111.143 176.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.1 mt -63.0 -32.83 74.28 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.2 1.4 . . . . 20.0 111.752 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -68.48 -9.32 48.08 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.946 1.699 . . . . 20.0 114.539 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -66.92 148.19 52.27 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.138 0.881 . . . . 20.0 112.131 -173.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -78.69 75.79 5.2 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.185 1.394 . . . . 20.0 109.756 173.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -161.26 179.77 8.07 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.934 1.694 . . . . 20.0 109.949 175.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -65.98 167.78 9.22 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.477 1.111 . . . . 20.0 111.62 172.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -135.53 151.97 50.85 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 127.094 2.157 . . . . 20.0 109.084 176.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.9 mt -128.17 179.78 5.42 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.508 1.123 . . . . 20.0 109.176 177.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -119.84 -45.5 2.48 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.64 1.176 . . . . 20.0 111.371 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.56 -39.47 45.7 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.887 0.475 . . . . 20.0 111.35 175.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -86.56 -21.63 26.77 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 122.551 0.341 . . . . 20.0 111.626 -176.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.9 t -69.67 -38.29 77.0 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.344 0.658 . . . . 20.0 110.758 171.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.66 66.32 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.515 0.726 . . . . 20.0 112.543 170.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t -69.83 -34.38 73.57 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.742 0.701 . . . . 20.0 111.776 173.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 57.0 m -69.41 -8.74 49.32 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.24 1.016 . . . . 20.0 113.504 169.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 100.77 -113.39 4.68 Favored Glycine 0 C--N 1.341 0.824 0 C-N-CA 125.431 1.491 . . . . 20.0 110.865 174.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -133.5 145.38 50.12 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 126.315 1.846 . . . . 20.0 110.071 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.02 1.66 56.62 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 124.917 1.246 . . . . 20.0 114.919 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -131.82 159.87 37.29 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 125.093 1.357 . . . . 20.0 110.415 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -137.93 169.27 18.08 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.351 1.86 . . . . 20.0 111.501 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 47.3 t -114.62 119.97 38.56 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.039 1.335 . . . . 20.0 108.639 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 17.4 t -81.02 153.2 27.54 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 122.63 0.372 . . . . 20.0 110.424 171.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.5 m -72.16 154.7 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 123.946 0.899 . . . . 20.0 110.453 173.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -67.6 -35.8 79.64 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.973 1.309 . . . . 20.0 112.22 177.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 tt -162.54 110.65 1.34 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.916 1.687 . . . . 20.0 107.688 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.5 t60 . . . . . 0 C--O 1.252 1.189 0 C-N-CA 124.772 1.229 . . . . 20.0 111.2 -178.649 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 113.24 0.83 . . . . 20.0 113.24 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.8 m -128.86 149.96 50.54 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.802 1.641 . . . . 20.0 109.352 -174.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 166.19 157.33 10.08 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 122.093 0.829 . . . . 20.0 113.323 172.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 25.2 p -116.88 172.32 7.32 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 128.105 2.562 . . . . 20.0 110.431 172.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt 63.9 9.89 4.85 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.743 2.017 . . . . 20.0 115.206 176.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.35 -52.81 0.03 OUTLIER Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.92 1.248 . . . . 20.0 111.505 174.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -73.31 -71.21 0.32 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.417 1.087 . . . . 20.0 111.571 -176.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -160.37 -0.67 0.07 OUTLIER Glycine 0 CA--C 1.532 1.141 0 CA-C-O 118.811 -0.994 . . . . 20.0 115.38 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.11 171.14 29.52 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-N 118.838 1.319 . . . . 20.0 112.396 179.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -143.36 171.04 14.66 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.279 1.432 . . . . 20.0 111.058 176.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.4 m -68.95 116.32 9.28 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.86 1.264 . . . . 20.0 109.638 167.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -115.1 158.53 40.74 Favored Pre-proline 0 CA--C 1.539 0.541 0 C-N-CA 125.648 1.579 . . . . 20.0 110.279 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.72 149.14 66.78 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.88 2.387 . . . . 20.0 109.985 174.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.42 -30.07 70.96 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.337 1.455 . . . . 20.0 112.162 -175.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -60.72 -19.59 59.18 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.714 1.606 . . . . 20.0 114.161 172.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.05 126.53 30.18 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 119.206 0.912 . . . . 20.0 109.355 173.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -83.51 97.04 8.8 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 108.265 -1.013 . . . . 20.0 108.265 166.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.7 t -140.25 -83.73 0.23 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.357 1.463 . . . . 20.0 108.571 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -150.77 167.19 28.16 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.446 1.499 . . . . 20.0 109.156 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -154.63 145.44 22.48 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.604 1.161 . . . . 20.0 109.341 171.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.0 mt -132.09 -179.59 5.51 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.972 1.709 . . . . 20.0 109.953 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -116.4 -35.53 4.26 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.835 1.254 . . . . 20.0 111.994 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.07 -27.41 28.3 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.354 1.062 . . . . 20.0 112.454 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -109.5 -15.47 14.2 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.658 0.783 . . . . 20.0 112.951 -170.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 84.9 p -67.42 -29.13 68.54 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.481 0.582 . . . . 20.0 111.687 167.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.94 -21.34 65.11 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.51 1.524 . . . . 20.0 112.879 175.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.9 t -67.64 -38.52 83.97 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 123.931 0.892 . . . . 20.0 111.053 173.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 83.3 m -77.88 -16.66 58.08 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.909 1.284 . . . . 20.0 112.977 173.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.94 -125.35 8.44 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.635 1.588 . . . . 20.0 111.319 175.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -123.46 107.92 12.11 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.622 1.569 . . . . 20.0 109.536 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 125.86 -8.82 7.64 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 125.373 1.463 . . . . 20.0 114.134 176.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -139.87 166.34 24.88 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.552 1.541 . . . . 20.0 110.222 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.88 169.84 16.82 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.84 1.256 . . . . 20.0 112.278 -174.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 24.5 t -79.43 138.29 37.55 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.499 1.12 . . . . 20.0 109.72 175.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.7 t -132.61 136.67 46.67 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.693 1.597 . . . . 20.0 109.365 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.0 m -70.38 170.81 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 125.611 1.564 . . . . 20.0 112.411 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 63.8 p-90 -114.05 -17.42 11.95 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.205 1.802 . . . . 20.0 112.259 176.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.9 mt -63.06 144.13 57.17 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.19 0.996 . . . . 20.0 110.245 170.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 39.2 m80 . . . . . 0 C--O 1.242 0.692 0 C-N-CA 124.765 1.226 . . . . 20.0 110.525 178.218 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 pp . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 113.407 0.891 . . . . 20.0 113.407 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.9 t -125.5 171.71 10.28 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.135 1.374 . . . . 20.0 111.369 -175.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.0 142.96 13.67 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 126.266 1.889 . . . . 20.0 111.343 -176.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 72.3 m -62.95 -51.14 68.04 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.068 0.947 . . . . 20.0 109.854 171.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -26.51 65.97 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.734 1.214 . . . . 20.0 113.052 175.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.2 -7.58 60.29 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 125.697 1.617 . . . . 20.0 114.389 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -128.06 -38.65 1.8 Allowed 'General case' 0 C--N 1.344 0.331 0 C-N-CA 125.14 1.376 . . . . 20.0 112.141 176.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 142.95 -0.06 1.31 Allowed Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.778 1.18 . . . . 20.0 114.778 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.48 -177.35 48.44 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.965 1.269 . . . . 20.0 111.752 174.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -134.91 146.33 49.07 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 124.091 0.957 . . . . 20.0 111.004 173.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.3 m -71.28 139.13 49.87 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.427 1.091 . . . . 20.0 109.878 167.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -143.34 163.55 36.45 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 127.586 2.354 . . . . 20.0 109.615 -177.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.44 162.45 41.86 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.329 2.019 . . . . 20.0 111.324 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -61.16 -34.73 75.48 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.893 1.277 . . . . 20.0 110.74 173.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -80.1 54.32 1.91 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.769 2.428 . . . . 20.0 111.508 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -135.21 157.6 46.51 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 124.553 1.141 . . . . 20.0 112.227 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -84.31 8.88 14.58 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.848 1.659 . . . . 20.0 114.591 175.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 25.5 m -69.59 160.36 31.68 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.117 0.967 . . . . 20.0 111.904 171.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -83.39 100.89 10.98 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.868 1.667 . . . . 20.0 108.84 174.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -66.12 119.22 11.05 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.778 1.631 . . . . 20.0 111.036 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 86.6 mt -76.15 179.69 5.53 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.531 1.532 . . . . 20.0 111.625 173.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -116.91 -40.6 3.12 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.263 1.025 . . . . 20.0 112.236 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.51 -40.4 21.08 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.421 1.088 . . . . 20.0 111.409 177.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -96.23 -14.69 22.5 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.978 0.733 . . . . 20.0 112.978 -168.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.3 m -67.96 -40.75 83.13 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.551 0.74 . . . . 20.0 111.129 173.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.99 -16.58 64.11 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.023 0.929 . . . . 20.0 113.151 173.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.3 t -69.0 -36.17 77.51 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.924 0.89 . . . . 20.0 112.425 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 73.8 m -66.01 -40.06 90.78 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 124.254 1.022 . . . . 20.0 111.724 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.16 -174.64 19.51 Favored Glycine 0 C--O 1.224 -0.528 0 C-N-CA 125.814 1.673 . . . . 20.0 112.961 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -66.49 127.67 33.21 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.878 1.671 . . . . 20.0 110.357 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.35 5.55 87.02 Favored Glycine 0 CA--C 1.534 1.279 0 CA-C-O 118.462 -1.188 . . . . 20.0 115.09 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -137.96 156.04 48.27 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.828 1.651 . . . . 20.0 110.363 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.54 179.91 6.54 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.542 1.537 . . . . 20.0 111.17 -174.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.5 t -112.92 168.91 9.3 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.201 1.0 . . . . 20.0 112.246 -174.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 35.8 t -137.01 141.36 42.51 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.741 1.616 . . . . 20.0 110.695 -176.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.2 m -70.42 171.79 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 126.078 1.751 . . . . 20.0 112.504 176.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 2.1 p90 -118.77 -17.66 9.13 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.578 1.951 . . . . 20.0 112.573 -178.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.4 mt -72.27 102.61 3.14 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 124.191 0.996 . . . . 20.0 109.892 174.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 55.9 m170 . . . . . 0 C--O 1.259 1.554 0 C-N-CA 125.639 1.576 . . . . 20.0 110.865 175.781 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.0 tp . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 120.828 0.347 . . . . 20.0 110.681 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.4 t -127.1 153.7 45.66 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.395 1.478 . . . . 20.0 109.623 166.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.06 -62.16 0.17 Allowed Glycine 0 CA--C 1.525 0.67 0 CA-C-O 118.927 -0.929 . . . . 20.0 112.255 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.6 t -57.5 -77.1 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.787 1.235 . . . . 20.0 110.86 -174.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -68.93 -15.05 63.39 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.724 1.61 . . . . 20.0 112.607 171.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.93 -11.0 49.29 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.046 1.307 . . . . 20.0 114.322 173.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -126.07 -56.82 1.43 Allowed 'General case' 0 C--N 1.345 0.407 0 C-N-CA 125.138 1.375 . . . . 20.0 111.096 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.33 9.22 0.03 OUTLIER Glycine 0 CA--C 1.533 1.218 0 CA-C-O 118.692 -1.06 . . . . 20.0 115.576 -173.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.34 174.31 41.63 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-N 118.68 1.24 . . . . 20.0 113.026 -177.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -136.94 145.6 44.44 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 125.108 1.363 . . . . 20.0 110.295 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 98.5 m -85.07 81.77 8.73 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.245 1.418 . . . . 20.0 109.304 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -75.16 158.25 84.28 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 125.556 1.543 . . . . 20.0 110.04 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -68.6 160.32 49.86 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.359 2.039 . . . . 20.0 110.941 177.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.29 -32.53 73.27 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.789 1.236 . . . . 20.0 111.584 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.1 -17.56 63.54 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.445 1.898 . . . . 20.0 113.755 175.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -68.46 123.86 21.97 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 124.427 1.091 . . . . 20.0 111.429 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -78.64 81.22 4.97 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.615 1.166 . . . . 20.0 110.361 173.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.0 p -150.18 -175.48 5.08 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.281 2.232 . . . . 20.0 109.096 167.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -59.49 155.05 15.89 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.872 0.869 . . . . 20.0 110.878 176.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -144.31 112.52 6.41 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.696 1.598 . . . . 20.0 109.131 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -72.61 174.4 7.59 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.981 1.712 . . . . 20.0 109.981 172.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -118.94 -48.3 2.46 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.026 0.93 . . . . 20.0 111.785 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.62 -38.2 26.37 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.466 0.706 . . . . 20.0 111.158 175.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -79.44 -23.81 42.87 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.628 0.771 . . . . 20.0 112.447 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.5 t -65.38 -30.94 71.81 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.749 1.22 . . . . 20.0 112.131 174.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.64 -15.6 63.57 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.245 0.832 . . . . 20.0 113.245 175.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.2 m -66.63 -31.84 72.78 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.75 0.82 . . . . 20.0 111.427 173.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 97.6 m -76.06 -9.89 58.98 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.46 1.504 . . . . 20.0 113.598 173.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.36 -115.52 4.73 Favored Glycine 0 C--N 1.339 0.73 0 C-N-CA 125.467 1.508 . . . . 20.0 110.523 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -131.47 158.37 41.03 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.865 1.666 . . . . 20.0 111.369 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.14 -16.98 6.54 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.587 1.565 . . . . 20.0 114.695 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -129.18 164.26 23.79 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.384 1.874 . . . . 20.0 109.405 177.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.66 165.22 29.38 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.521 1.529 . . . . 20.0 111.508 -178.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 36.8 t -74.08 145.46 44.4 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.544 0.738 . . . . 20.0 110.393 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 52.7 t -145.29 152.01 39.24 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.353 1.461 . . . . 20.0 110.135 -177.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.1 m -68.19 174.96 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 126.009 1.724 . . . . 20.0 112.174 177.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -122.91 -23.97 4.89 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.275 1.83 . . . . 20.0 112.44 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -127.91 -69.79 0.72 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.066 1.347 . . . . 20.0 111.237 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 15.5 m170 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 117.316 -1.326 . . . . 20.0 110.902 -172.622 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 112.704 0.631 . . . . 20.0 112.704 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.6 p -81.13 173.97 12.03 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.875 1.27 . . . . 20.0 112.072 -178.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -133.91 -114.88 1.52 Allowed Glycine 0 CA--C 1.532 1.096 0 C-N-CA 125.253 1.406 . . . . 20.0 110.501 177.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 90.4 m -132.29 167.29 20.11 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.181 1.393 . . . . 20.0 110.912 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -127.98 -21.35 3.67 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.717 1.607 . . . . 20.0 112.95 -172.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.19 -20.25 7.16 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.093 1.33 . . . . 20.0 114.885 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -71.2 -47.94 54.47 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 118.654 1.227 . . . . 20.0 111.508 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -141.15 8.44 2.68 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 125.27 1.414 . . . . 20.0 114.269 -174.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.03 174.37 40.62 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 118.259 1.029 . . . . 20.0 112.244 173.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -134.21 139.71 45.99 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.914 0.886 . . . . 20.0 111.799 -175.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.03 144.28 36.77 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.214 -1.357 . . . . 20.0 109.367 164.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -144.43 165.11 24.79 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 126.574 1.95 . . . . 20.0 109.841 -175.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.91 165.14 33.23 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 122.488 2.125 . . . . 20.0 110.708 171.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.5 mt -64.54 -32.36 73.98 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.711 1.205 . . . . 20.0 111.101 172.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -66.44 -12.77 58.95 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.131 1.772 . . . . 20.0 113.958 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.1 tpt85 -65.94 132.72 49.29 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.594 1.158 . . . . 20.0 110.055 175.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -73.29 79.37 1.33 Allowed 'General case' 0 C--N 1.344 0.329 0 C-N-CA 124.902 1.281 . . . . 20.0 109.819 170.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.9 t -159.8 174.94 13.73 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.255 1.422 . . . . 20.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -67.22 176.67 2.11 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.435 1.894 . . . . 20.0 112.153 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -140.1 157.79 45.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.277 1.831 . . . . 20.0 109.76 176.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.6 mt -133.21 -179.7 5.66 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.306 1.842 . . . . 20.0 110.141 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -120.3 -37.59 3.03 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.84 1.256 . . . . 20.0 112.292 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.63 -44.54 23.64 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.014 0.926 . . . . 20.0 111.062 173.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -88.69 -15.86 33.77 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.82 0.674 . . . . 20.0 112.82 -174.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.0 p -71.4 -23.99 61.97 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.771 0.714 . . . . 20.0 111.893 171.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.7 -24.75 58.81 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.252 1.021 . . . . 20.0 111.894 171.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.5 m -71.04 -28.75 64.61 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 124.19 0.996 . . . . 20.0 111.846 174.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.7 m -65.85 -60.17 3.13 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.692 0.797 . . . . 20.0 109.346 161.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.92 -98.68 0.33 Allowed Glycine 0 C--N 1.344 0.974 0 C-N-CA 125.797 1.665 . . . . 20.0 110.024 -176.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.8 158.2 43.85 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 127.61 2.364 . . . . 20.0 111.325 -176.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.34 10.37 47.77 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.806 1.193 . . . . 20.0 114.217 -176.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -145.83 172.84 12.73 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.003 1.721 . . . . 20.0 110.741 -166.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -154.29 159.53 41.29 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.07 1.748 . . . . 20.0 110.628 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.0 t -75.18 166.76 23.14 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 122.194 -0.316 . . . . 20.0 110.33 169.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 38.7 t -140.82 140.44 34.68 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.952 1.301 . . . . 20.0 110.095 176.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.5 m -65.72 158.78 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 125.177 1.391 . . . . 20.0 111.236 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -84.46 -26.11 28.45 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.847 1.259 . . . . 20.0 111.957 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.1 pp -76.43 168.15 20.58 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.764 1.225 . . . . 20.0 111.97 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.9 p80 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 116.904 -1.522 . . . . 20.0 111.905 178.52 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.4 tp . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 119.315 -0.374 . . . . 20.0 110.118 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.1 p -144.71 157.14 44.31 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.333 1.853 . . . . 20.0 110.008 -178.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -119.0 -34.85 1.0 Allowed Glycine 0 CA--C 1.53 1.0 0 C-N-CA 125.198 1.38 . . . . 20.0 112.009 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.9 m -91.77 173.2 7.99 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.962 1.705 . . . . 20.0 110.597 171.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -135.98 -18.08 1.6 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.518 1.927 . . . . 20.0 112.996 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.1 -13.02 67.38 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-O 118.629 -1.095 . . . . 20.0 114.624 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -98.69 -57.65 2.14 Favored 'General case' 0 C--N 1.344 0.326 0 C-N-CA 125.462 1.505 . . . . 20.0 109.669 175.78 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.62 0.33 43.78 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.389 0.995 . . . . 20.0 113.956 176.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -138.98 139.67 10.34 Favored Glycine 0 C--N 1.34 0.774 0 C-N-CA 125.783 1.658 . . . . 20.0 111.189 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -139.77 175.36 9.64 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.72 2.008 . . . . 20.0 110.432 174.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.7 m -62.54 105.85 0.69 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.187 0.995 . . . . 20.0 109.576 165.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -129.31 158.9 71.7 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 126.237 1.815 . . . . 20.0 109.985 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -70.88 156.93 59.52 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 122.569 2.18 . . . . 20.0 111.668 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.3 -32.87 72.72 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.928 1.691 . . . . 20.0 112.202 172.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -81.3 50.36 1.43 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.964 1.706 . . . . 20.0 111.843 174.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.9 tpp85 -131.38 151.68 51.31 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.336 1.454 . . . . 20.0 110.909 174.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -74.24 68.89 1.52 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.749 2.02 . . . . 20.0 112.853 176.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.4 t -154.72 171.72 19.09 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.423 -0.798 . . . . 20.0 112.44 173.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -70.54 165.98 21.55 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.002 1.721 . . . . 20.0 112.264 -177.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -134.96 114.41 12.47 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.586 1.954 . . . . 20.0 110.283 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.1 mt -80.0 177.64 8.79 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.424 1.489 . . . . 20.0 111.412 166.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -111.95 -46.95 3.17 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.553 1.541 . . . . 20.0 111.561 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.83 -43.45 71.96 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.906 0.883 . . . . 20.0 111.074 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -84.66 -6.95 59.39 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.829 0.852 . . . . 20.0 113.271 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.1 t -59.38 -32.09 69.82 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.402 1.001 . . . . 20.0 112.067 174.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.77 -10.67 57.95 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.168 1.387 . . . . 20.0 114.217 176.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.6 t -62.41 -50.54 71.11 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 125.171 1.388 . . . . 20.0 112.818 -170.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.3 -4.67 45.15 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.986 0.736 . . . . 20.0 112.986 174.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.15 -119.74 3.04 Favored Glycine 0 C--N 1.34 0.785 0 C-N-CA 125.482 1.515 . . . . 20.0 112.363 169.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -131.64 29.13 4.54 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.874 2.07 . . . . 20.0 112.256 -171.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -150.09 15.16 1.01 Allowed Glycine 0 CA--C 1.536 1.347 0 C-N-CA 127.266 2.365 . . . . 20.0 112.767 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.86 -177.77 4.24 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.414 1.486 . . . . 20.0 112.657 -175.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -153.98 145.72 23.37 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.663 1.185 . . . . 20.0 110.161 169.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.1 t -86.23 101.31 12.92 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.202 0.601 . . . . 20.0 110.422 -178.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 50.5 t -72.27 150.71 43.36 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.53 1.532 . . . . 20.0 111.144 177.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.1 m -126.2 -172.97 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 126.154 1.782 . . . . 20.0 109.691 176.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -56.11 -50.61 70.59 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.533 1.133 . . . . 20.0 112.917 -176.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 mp -117.14 140.76 49.11 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.251 1.82 . . . . 20.0 109.534 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.5 p80 . . . . . 0 C--O 1.254 1.296 0 CA-C-O 116.586 -1.674 . . . . 20.0 113.329 -176.649 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 113.308 0.855 . . . . 20.0 113.308 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.8 t -124.16 163.25 21.92 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.66 1.184 . . . . 20.0 111.37 178.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.15 -83.08 0.07 OUTLIER Glycine 0 C--N 1.34 0.762 0 C-N-CA 124.553 1.073 . . . . 20.0 110.791 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 87.2 m -63.03 -44.94 94.55 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.128 0.971 . . . . 20.0 112.613 -175.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -63.17 -20.92 65.85 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.108 0.963 . . . . 20.0 113.225 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.4 -20.49 67.67 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.309 0.957 . . . . 20.0 113.998 -178.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.02 -0.03 3.41 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.593 1.557 . . . . 20.0 112.408 174.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.99 -44.35 1.47 Allowed Glycine 0 CA--C 1.537 1.433 0 C-N-CA 126.217 1.865 . . . . 20.0 111.969 174.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.65 171.05 29.8 Favored Glycine 0 C--N 1.347 1.161 0 C-N-CA 124.456 1.026 . . . . 20.0 113.46 177.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -140.85 135.11 31.04 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 124.353 1.061 . . . . 20.0 109.74 174.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.8 m -81.47 110.72 17.14 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.173 0.989 . . . . 20.0 108.962 171.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -102.16 156.7 34.91 Favored Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 125.366 1.466 . . . . 20.0 110.042 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -72.36 148.99 49.96 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.907 2.405 . . . . 20.0 110.006 173.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.59 -28.84 70.16 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.347 1.459 . . . . 20.0 111.932 -177.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -56.93 -27.21 60.69 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.439 1.496 . . . . 20.0 113.348 172.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -75.37 128.7 35.96 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.985 1.314 . . . . 20.0 110.674 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -83.44 105.52 14.45 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.483 1.113 . . . . 20.0 110.31 174.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.9 p -145.62 178.08 8.41 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.036 1.335 . . . . 20.0 110.698 169.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -72.18 92.54 1.36 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.417 1.087 . . . . 20.0 109.597 172.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -69.83 129.26 39.07 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.153 0.981 . . . . 20.0 110.718 178.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -72.3 -179.72 3.02 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.826 2.05 . . . . 20.0 110.762 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -119.42 -37.7 3.12 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.003 0.742 . . . . 20.0 113.003 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -103.79 -30.64 10.26 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.531 1.133 . . . . 20.0 111.546 176.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -88.96 -17.12 30.13 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.501 1.12 . . . . 20.0 111.917 177.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.6 t -67.55 -38.97 84.94 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.458 0.703 . . . . 20.0 110.81 169.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.01 -11.3 60.7 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.804 1.241 . . . . 20.0 113.671 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t -64.76 -48.13 75.66 Favored 'General case' 0 C--N 1.345 0.403 0 C-N-CA 124.88 1.272 . . . . 20.0 113.187 -171.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.76 -8.47 56.92 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.872 1.064 . . . . 20.0 113.872 -177.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.91 171.51 43.45 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 125.24 1.4 . . . . 20.0 112.224 -176.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -62.62 120.46 11.22 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.198 1.399 . . . . 20.0 109.968 -176.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.0 -12.97 8.55 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.655 1.598 . . . . 20.0 113.717 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -139.49 170.84 15.19 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.372 1.469 . . . . 20.0 110.414 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.58 174.28 13.15 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.519 1.528 . . . . 20.0 111.057 177.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.8 t -103.29 164.33 11.7 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.677 0.791 . . . . 20.0 110.533 172.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 93.9 m -121.65 -173.81 2.72 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.518 1.927 . . . . 20.0 110.305 175.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.8 m -48.17 133.62 5.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 124.088 0.955 . . . . 20.0 111.476 174.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -67.84 -24.22 65.24 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.923 1.289 . . . . 20.0 112.882 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 pp -71.75 169.37 15.81 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.5 1.52 . . . . 20.0 111.414 173.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 77.2 t60 . . . . . 0 C--O 1.251 1.159 0 C-N-CA 124.616 1.166 . . . . 20.0 110.403 178.88 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 tt . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 121.371 0.605 . . . . 20.0 109.439 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.3 m -76.29 143.04 41.13 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.195 1.398 . . . . 20.0 110.449 -177.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.51 161.01 17.86 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 126.494 1.997 . . . . 20.0 112.519 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 74.1 m -134.32 176.97 8.13 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.644 1.978 . . . . 20.0 110.616 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.7 mtmm -131.74 -19.47 2.64 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.021 1.119 . . . . 20.0 114.021 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.76 0.92 86.2 Favored Glycine 0 CA--C 1.533 1.164 0 CA-C-O 118.385 -1.231 . . . . 20.0 115.359 175.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -103.86 -59.6 1.7 Allowed 'General case' 0 C--N 1.344 0.365 0 C-N-CA 125.229 1.411 . . . . 20.0 109.742 176.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.49 -7.63 83.06 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.678 1.132 . . . . 20.0 114.187 -178.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -141.14 172.41 23.77 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 125.374 1.464 . . . . 20.0 111.641 175.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -139.44 170.0 16.72 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.713 1.205 . . . . 20.0 111.837 -172.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.8 m -78.22 78.42 4.69 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.824 1.65 . . . . 20.0 110.113 172.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -77.26 158.05 79.97 Favored Pre-proline 0 CA--C 1.538 0.513 0 C-N-CA 125.256 1.422 . . . . 20.0 111.381 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.71 154.15 71.85 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 122.937 2.425 . . . . 20.0 110.561 176.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.5 mt -63.62 -33.06 74.78 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 125.353 1.461 . . . . 20.0 112.283 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -62.16 -16.05 50.21 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.629 1.971 . . . . 20.0 113.495 175.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.1 tpt85 -68.66 129.42 39.88 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 124.676 1.19 . . . . 20.0 109.083 170.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -73.5 94.85 2.17 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 108.735 -0.839 . . . . 20.0 108.735 171.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.4 t -160.5 176.26 11.82 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.325 1.45 . . . . 20.0 110.234 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.48 160.97 12.61 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.213 1.405 . . . . 20.0 110.807 174.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -138.48 111.16 7.62 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 125.552 1.541 . . . . 20.0 108.646 171.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.16 174.62 6.12 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.157 1.783 . . . . 20.0 109.56 170.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -117.21 -25.17 7.19 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.827 1.047 . . . . 20.0 113.827 -176.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.94 -20.24 7.58 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.896 1.278 . . . . 20.0 112.764 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -91.34 -20.49 21.8 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.114 0.966 . . . . 20.0 111.347 171.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.4 m -76.52 -24.47 53.69 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.556 0.742 . . . . 20.0 111.632 167.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.97 -26.25 63.07 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.841 0.856 . . . . 20.0 111.723 173.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.0 t -68.72 -30.71 69.4 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.802 1.241 . . . . 20.0 111.756 173.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.0 m -76.06 -9.7 58.83 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.988 1.315 . . . . 20.0 113.562 172.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.28 -114.15 4.8 Favored Glycine 0 C--N 1.339 0.706 0 C-N-CA 125.586 1.565 . . . . 20.0 110.343 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -137.56 153.09 50.02 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.647 1.979 . . . . 20.0 111.06 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.64 -3.47 63.71 Favored Glycine 0 CA--C 1.536 1.39 0 CA-C-O 118.675 -1.069 . . . . 20.0 114.621 -177.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -133.15 172.03 13.21 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.773 1.629 . . . . 20.0 110.22 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.13 165.13 30.9 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.33 1.452 . . . . 20.0 111.292 176.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 45.0 t -77.83 135.28 37.92 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.495 -0.928 . . . . 20.0 108.495 165.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 11.6 t -120.48 132.35 55.16 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.373 1.469 . . . . 20.0 109.488 178.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.0 m -65.07 144.67 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 125.01 1.324 . . . . 20.0 110.953 176.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 3.5 p90 -78.87 -16.78 56.62 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.001 1.32 . . . . 20.0 112.539 171.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.3 mt -74.62 157.29 35.65 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.259 1.024 . . . . 20.0 110.849 174.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 76.1 m80 . . . . . 0 CA--C 1.533 0.32 0 C-N-CA 125.104 1.361 . . . . 20.0 110.94 176.0 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.3 tp . . . . . 0 N--CA 1.472 0.663 0 CA-C-O 120.952 0.406 . . . . 20.0 110.292 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 t -72.17 159.03 34.8 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.095 1.358 . . . . 20.0 111.525 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.12 2.22 71.36 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.318 1.437 . . . . 20.0 113.786 172.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.0 m -120.08 -179.76 4.03 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.059 1.744 . . . . 20.0 111.216 -171.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -70.44 -29.29 65.84 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.24 1.016 . . . . 20.0 113.092 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.17 -26.77 5.36 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 126.494 1.997 . . . . 20.0 114.151 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -67.48 -30.47 70.18 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.178 1.391 . . . . 20.0 113.45 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -154.46 -28.8 0.03 OUTLIER Glycine 0 CA--C 1.529 0.952 0 CA-C-O 119.053 -0.859 . . . . 20.0 113.659 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.66 139.68 14.7 Favored Glycine 0 CA--C 1.529 0.907 0 N-CA-C 109.842 -1.303 . . . . 20.0 109.842 171.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -137.08 164.35 28.62 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.25 1.42 . . . . 20.0 110.718 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.4 t -80.73 112.26 17.94 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.338 1.055 . . . . 20.0 109.802 -176.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.09 161.12 34.37 Favored Pre-proline 0 CA--C 1.54 0.583 0 C-N-CA 125.861 1.665 . . . . 20.0 110.13 -175.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -69.45 156.22 64.77 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 122.603 2.202 . . . . 20.0 111.041 170.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.2 mt -63.46 -28.59 70.07 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.169 1.388 . . . . 20.0 111.926 178.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -56.38 -30.86 63.23 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.791 1.637 . . . . 20.0 112.888 175.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -76.72 134.12 39.3 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 124.924 1.289 . . . . 20.0 110.292 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -101.15 105.62 16.79 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.935 1.294 . . . . 20.0 110.896 -178.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.9 t -146.08 -76.94 0.19 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.502 1.521 . . . . 20.0 109.3 173.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -151.84 162.55 40.86 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.273 1.829 . . . . 20.0 108.358 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -141.96 96.68 3.01 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.56 1.144 . . . . 20.0 108.946 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.86 172.4 2.28 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.922 1.689 . . . . 20.0 111.101 175.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -106.1 -45.44 4.33 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.41 1.084 . . . . 20.0 112.013 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.26 -36.44 17.92 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.642 0.777 . . . . 20.0 111.561 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -84.43 -27.67 27.41 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.259 0.624 . . . . 20.0 112.096 -174.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.6 m -73.41 -27.24 61.34 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 118.536 0.607 . . . . 20.0 111.383 169.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.47 -26.18 58.0 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.769 0.828 . . . . 20.0 112.276 172.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -71.69 -35.5 70.28 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.439 1.096 . . . . 20.0 110.985 170.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.4 m -67.41 -18.68 65.2 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.364 1.466 . . . . 20.0 112.616 166.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.24 167.35 41.37 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.829 1.681 . . . . 20.0 113.032 -177.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.6 ptmm? -66.5 112.07 3.91 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.862 1.265 . . . . 20.0 111.139 176.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.28 -13.01 7.07 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.234 1.397 . . . . 20.0 113.403 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -134.77 170.81 15.28 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.08 1.752 . . . . 20.0 109.611 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.48 -179.85 7.15 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.497 1.519 . . . . 20.0 111.376 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.8 t -122.39 142.62 50.33 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.903 0.881 . . . . 20.0 110.554 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 28.4 t -100.08 154.36 18.48 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 126.049 1.74 . . . . 20.0 110.219 175.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.7 m -59.34 144.12 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 C-N-CA 124.719 1.208 . . . . 20.0 111.23 172.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 4.6 p90 -73.64 -15.33 61.26 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.713 1.205 . . . . 20.0 112.79 171.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.4 tt -81.52 125.17 30.17 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.246 1.418 . . . . 20.0 109.487 176.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.8 p80 . . . . . 0 C--O 1.253 1.255 0 C-N-CA 125.623 1.569 . . . . 20.0 110.763 174.66 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tt . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 109.607 -0.516 . . . . 20.0 109.607 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.5 p -68.23 109.34 3.54 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 125.175 1.39 . . . . 20.0 110.267 177.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -125.65 -84.69 0.56 Allowed Glycine 0 C--N 1.338 0.687 0 C-N-CA 125.157 1.361 . . . . 20.0 110.902 -175.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.9 m -139.46 -176.51 4.57 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.966 1.306 . . . . 20.0 110.917 -178.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -112.57 -45.49 3.23 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.389 1.476 . . . . 20.0 111.199 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.63 -66.83 0.45 Allowed Glycine 0 C--N 1.341 0.85 0 C-N-CA 124.942 1.258 . . . . 20.0 110.055 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -81.9 -33.87 30.24 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.823 1.249 . . . . 20.0 113.077 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.04 -14.52 61.41 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 124.663 1.125 . . . . 20.0 114.363 -176.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.42 -174.28 13.52 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 126.767 2.127 . . . . 20.0 110.363 173.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -139.06 161.06 38.32 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 123.856 0.863 . . . . 20.0 111.625 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.2 m -76.0 94.18 3.37 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.936 1.695 . . . . 20.0 109.74 172.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -85.12 158.09 58.78 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 124.911 1.284 . . . . 20.0 110.3 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.1 153.26 67.53 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.773 2.316 . . . . 20.0 110.027 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.9 mt -65.94 -32.05 73.32 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.99 0.916 . . . . 20.0 112.021 -178.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -62.5 -14.61 43.46 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.747 1.619 . . . . 20.0 114.13 173.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -65.96 134.5 53.08 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 124.338 1.055 . . . . 20.0 110.413 175.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -75.84 71.89 2.7 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.281 1.433 . . . . 20.0 109.981 171.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.5 t -149.17 174.98 11.77 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.468 1.507 . . . . 20.0 110.376 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -66.25 159.04 27.4 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.894 1.278 . . . . 20.0 111.413 -176.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -140.08 112.26 7.68 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 126.074 1.75 . . . . 20.0 108.917 175.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.85 -170.69 0.93 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.472 1.909 . . . . 20.0 111.012 175.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -123.94 -27.78 3.87 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 114.336 1.236 . . . . 20.0 114.336 -174.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.74 -25.58 5.88 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.129 1.371 . . . . 20.0 111.525 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -89.31 -24.86 21.92 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.81 1.244 . . . . 20.0 111.491 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.1 p -67.04 -37.6 84.38 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.229 0.612 . . . . 20.0 111.182 167.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.96 -19.99 63.34 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.794 1.238 . . . . 20.0 112.961 177.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.6 t -63.45 -34.68 78.29 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.215 1.006 . . . . 20.0 111.558 174.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 69.9 m -76.75 -12.07 59.93 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.417 1.487 . . . . 20.0 114.169 174.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.26 173.53 46.19 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.451 1.5 . . . . 20.0 112.335 -177.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.411 ' HE3' ' N ' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -77.04 102.43 6.48 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.709 1.204 . . . . 20.0 109.22 -177.467 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 140.29 -9.53 2.97 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.424 1.488 . . . . 20.0 113.549 -178.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -141.82 171.25 14.32 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.98 1.712 . . . . 20.0 110.294 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.0 170.6 16.78 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.216 1.406 . . . . 20.0 111.334 177.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.9 t -91.75 116.47 28.92 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 109.976 -0.379 . . . . 20.0 109.976 172.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 38.2 t -85.18 141.62 30.04 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.374 1.07 . . . . 20.0 109.931 168.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.8 m -69.93 173.6 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 125.009 1.324 . . . . 20.0 111.819 174.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -123.91 -17.5 6.28 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.463 1.905 . . . . 20.0 112.643 -176.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.6 mt -133.78 109.26 9.0 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.241 1.817 . . . . 20.0 108.366 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.7 t60 . . . . . 0 C--O 1.253 1.275 0 C-N-CA 125.383 1.473 . . . . 20.0 110.678 -175.619 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 113.216 0.821 . . . . 20.0 113.216 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.6 t -146.25 167.04 24.49 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.212 1.405 . . . . 20.0 111.133 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.406 ' H ' ' HA2' ' A' ' 45' ' ' GLY . . . 141.58 107.0 0.64 Allowed Glycine 0 C--N 1.341 0.857 0 C-N-CA 126.005 1.764 . . . . 20.0 110.036 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.9 -22.24 59.12 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.787 1.235 . . . . 20.0 112.865 177.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -57.52 -28.73 63.74 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.053 1.741 . . . . 20.0 114.612 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.94 -7.88 0.08 OUTLIER Glycine 0 CA--C 1.536 1.349 0 CA-C-O 118.658 -1.079 . . . . 20.0 115.548 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -20.57 60.96 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.023 1.411 . . . . 20.0 113.025 174.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.3 -32.2 3.29 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 125.92 1.724 . . . . 20.0 112.818 178.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.406 ' HA2' ' H ' ' A' ' 39' ' ' GLY . . . 77.62 171.43 36.58 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 125.09 1.329 . . . . 20.0 113.338 -178.167 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -72.28 154.52 40.93 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 123.808 0.843 . . . . 20.0 110.667 173.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.5 m -111.84 105.43 13.89 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.7 1.2 . . . . 20.0 109.101 -177.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -131.68 157.28 78.61 Favored Pre-proline 0 CA--C 1.538 0.515 0 C-N-CA 126.934 2.094 . . . . 20.0 109.412 -174.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.34 157.33 62.27 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.376 2.05 . . . . 20.0 111.32 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -61.65 -33.29 73.71 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.162 1.385 . . . . 20.0 111.78 178.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -62.03 -17.2 56.54 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.868 1.667 . . . . 20.0 114.081 177.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -62.84 129.35 40.07 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.297 1.039 . . . . 20.0 110.299 178.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -88.26 79.43 7.82 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.211 1.004 . . . . 20.0 110.544 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.5 p -155.57 -178.61 7.41 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.842 1.657 . . . . 20.0 111.252 174.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -68.61 163.82 22.83 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.345 1.458 . . . . 20.0 110.719 177.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -154.76 -177.4 6.48 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.958 0.903 . . . . 20.0 112.063 177.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.9 mt -131.44 -176.68 4.11 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.386 1.874 . . . . 20.0 110.46 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -113.25 -40.32 3.94 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.671 1.188 . . . . 20.0 111.682 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.81 -40.59 32.51 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.798 0.839 . . . . 20.0 111.735 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -85.14 -21.39 29.27 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.032 0.933 . . . . 20.0 112.214 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.3 t -61.12 -43.48 98.82 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.38 0.672 . . . . 20.0 110.868 169.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.4 -20.77 64.7 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.558 1.143 . . . . 20.0 113.356 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.4 m -67.99 -34.27 76.21 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 123.683 0.793 . . . . 20.0 111.731 177.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 10.8 m -79.91 -8.11 59.13 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.963 1.305 . . . . 20.0 114.367 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.8 179.46 36.1 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 124.224 0.916 . . . . 20.0 113.342 175.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -62.03 114.6 3.49 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.878 2.071 . . . . 20.0 111.072 -173.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.15 7.53 60.84 Favored Glycine 0 CA--C 1.534 1.244 0 CA-C-O 118.764 -1.02 . . . . 20.0 114.739 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -116.29 165.99 12.55 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.449 1.5 . . . . 20.0 110.285 176.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -146.33 178.05 8.54 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.189 1.395 . . . . 20.0 111.454 176.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.9 t -84.89 164.51 18.34 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 122.415 0.286 . . . . 20.0 111.053 172.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 38.4 t -159.7 120.55 3.13 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 125.582 1.553 . . . . 20.0 109.929 172.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.3 m -73.95 -178.84 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 124.983 1.313 . . . . 20.0 111.047 175.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -132.32 -36.71 1.12 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.46 1.104 . . . . 20.0 113.275 -174.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -126.99 118.91 25.42 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.026 1.33 . . . . 20.0 109.091 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 61.4 m80 . . . . . 0 C--O 1.251 1.134 0 C-N-CA 127.238 2.215 . . . . 20.0 112.365 -176.188 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 118.812 -0.613 . . . . 20.0 112.653 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.1 m -71.56 -27.42 63.14 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.495 1.518 . . . . 20.0 112.661 -172.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -128.91 -17.53 1.84 Allowed Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.708 1.623 . . . . 20.0 114.936 -178.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.9 m -141.69 155.7 45.66 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.481 1.512 . . . . 20.0 109.904 173.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -72.1 -58.99 2.97 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.9 1.28 . . . . 20.0 111.134 -177.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.51 -20.62 0.23 Allowed Glycine 0 CA--C 1.531 1.05 0 CA-C-O 118.505 -1.164 . . . . 20.0 115.398 172.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -79.06 -13.63 59.64 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.063 1.432 . . . . 20.0 112.969 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 145.07 -14.76 1.91 Allowed Glycine 0 CA--C 1.535 1.332 0 C-N-CA 126.006 1.765 . . . . 20.0 113.641 175.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.47 176.02 35.17 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.299 1.428 . . . . 20.0 112.422 -173.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -74.88 118.64 18.06 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.537 0.735 . . . . 20.0 109.699 173.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 79.3 m -87.05 87.41 7.45 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.604 1.562 . . . . 20.0 110.357 -168.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -87.88 162.02 42.55 Favored Pre-proline 0 CA--C 1.541 0.609 0 C-N-CA 126.202 1.801 . . . . 20.0 110.356 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.47 155.24 69.77 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.53 2.153 . . . . 20.0 110.289 169.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.3 mt -62.68 -38.78 91.72 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.564 1.146 . . . . 20.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -79.93 64.34 4.75 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.615 1.566 . . . . 20.0 110.865 175.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -132.91 149.62 52.23 Favored 'General case' 0 C--N 1.341 0.239 0 C-N-CA 124.888 1.275 . . . . 20.0 111.396 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -72.69 20.69 0.07 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.462 2.305 . . . . 20.0 114.765 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.4 t -109.65 175.06 5.59 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.692 1.597 . . . . 20.0 111.659 -178.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -65.56 160.14 23.07 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.149 1.779 . . . . 20.0 110.606 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -140.2 113.96 8.79 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.885 1.674 . . . . 20.0 109.293 172.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.14 175.74 6.48 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.507 1.523 . . . . 20.0 111.064 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -116.84 -21.55 8.95 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.445 1.098 . . . . 20.0 113.936 -175.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.22 -15.6 12.7 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.3 1.44 . . . . 20.0 112.968 176.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -118.98 -6.07 10.51 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 125.353 1.461 . . . . 20.0 112.922 -174.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.8 p -65.95 -45.1 83.01 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.372 0.669 . . . . 20.0 110.691 166.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.51 -14.06 62.0 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.165 1.386 . . . . 20.0 113.69 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t -68.4 -32.74 73.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.972 0.909 . . . . 20.0 111.79 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 35.2 m -69.62 -35.88 75.66 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.213 1.005 . . . . 20.0 112.303 170.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 131.56 174.88 13.78 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 125.15 1.357 . . . . 20.0 112.166 177.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -71.63 107.26 4.39 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.032 1.333 . . . . 20.0 109.056 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.44 2.16 21.44 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.95 1.262 . . . . 20.0 114.387 -178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -134.13 169.67 16.82 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.962 1.381 . . . . 20.0 110.446 178.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.29 157.97 43.23 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.347 1.059 . . . . 20.0 112.148 175.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.1 t -75.53 151.94 37.87 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.36 1.064 . . . . 20.0 109.869 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 10.3 t -142.65 134.64 27.14 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.401 1.48 . . . . 20.0 110.592 -176.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.66 173.78 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 126.03 1.732 . . . . 20.0 112.263 173.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -120.11 -31.36 4.44 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.283 1.833 . . . . 20.0 111.297 170.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.7 tp -161.57 145.24 12.65 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.982 1.713 . . . . 20.0 108.747 177.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 69.1 t60 . . . . . 0 C--O 1.252 1.189 0 C-N-CA 124.776 1.23 . . . . 20.0 111.959 178.128 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 109.998 -0.371 . . . . 20.0 109.998 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.1 m -121.09 -26.68 5.08 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.354 1.462 . . . . 20.0 112.848 -169.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -66.14 -50.89 48.64 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 124.566 1.079 . . . . 20.0 113.707 -172.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 73.9 m -136.08 -179.91 5.95 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.071 1.748 . . . . 20.0 109.536 173.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -68.41 -19.22 64.59 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.646 -0.659 . . . . 20.0 112.464 174.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.68 -30.38 3.16 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 126.246 1.879 . . . . 20.0 113.289 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -86.37 -66.54 0.89 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.836 1.654 . . . . 20.0 110.001 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.34 -0.66 88.39 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 124.57 1.081 . . . . 20.0 114.365 -177.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.87 161.23 33.99 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-N 118.84 1.32 . . . . 20.0 110.792 175.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -131.91 151.09 51.93 Favored 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 124.638 1.175 . . . . 20.0 110.787 -177.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.6 t -84.14 105.05 14.7 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.512 1.525 . . . . 20.0 109.103 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -131.12 161.68 60.25 Favored Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 125.067 1.347 . . . . 20.0 111.356 -177.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.41 167.68 19.94 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.925 2.417 . . . . 20.0 112.036 173.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.4 -34.51 76.88 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.594 1.557 . . . . 20.0 111.235 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -82.21 63.17 6.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.561 1.544 . . . . 20.0 111.17 172.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -140.86 159.43 42.23 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.666 1.186 . . . . 20.0 111.768 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -81.44 52.63 1.9 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.898 1.679 . . . . 20.0 112.89 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.6 m -135.04 167.3 21.2 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.564 1.546 . . . . 20.0 110.244 167.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.69 173.56 2.76 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.473 1.909 . . . . 20.0 110.5 169.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -124.65 101.64 7.21 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.15 1.78 . . . . 20.0 108.593 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -64.96 -176.53 0.28 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.979 2.512 . . . . 20.0 111.633 174.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -123.02 -44.59 2.17 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.674 1.189 . . . . 20.0 111.868 174.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.48 -31.85 32.74 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.599 0.76 . . . . 20.0 113.015 -175.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -101.26 -25.32 14.03 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.253 1.421 . . . . 20.0 111.576 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.9 t -72.49 12.56 0.45 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.457 1.903 . . . . 20.0 112.543 167.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -118.68 1.84 11.65 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.434 1.894 . . . . 20.0 112.407 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.3 m -114.3 -18.41 11.59 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.797 1.239 . . . . 20.0 113.702 -169.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 9.6 m -77.71 -17.38 57.68 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.721 1.209 . . . . 20.0 113.987 177.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.17 -123.97 5.84 Favored Glycine 0 C--N 1.344 1.024 0 C-N-CA 124.723 1.154 . . . . 20.0 110.928 -174.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -130.46 155.02 47.15 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.718 1.607 . . . . 20.0 110.254 176.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.67 27.9 68.35 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.454 1.026 . . . . 20.0 113.51 -176.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -136.06 167.32 21.46 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.985 1.714 . . . . 20.0 112.657 -163.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -156.84 179.27 9.44 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.768 1.627 . . . . 20.0 110.613 164.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.1 t -135.18 159.24 42.15 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.495 1.118 . . . . 20.0 111.013 173.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 59.8 m -80.41 168.72 18.65 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.974 1.71 . . . . 20.0 112.007 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.7 m -73.78 171.14 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.412 1.085 . . . . 20.0 111.267 170.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -53.3 -54.14 40.71 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.171 1.788 . . . . 20.0 113.293 -174.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.1 mt -80.04 159.72 26.08 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.024 1.33 . . . . 20.0 110.78 175.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 117.437 -1.268 . . . . 20.0 109.861 173.049 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 113.873 1.064 . . . . 20.0 113.873 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.6 t -115.42 159.57 20.97 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.236 1.414 . . . . 20.0 112.601 -171.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.15 149.85 4.34 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.794 1.664 . . . . 20.0 112.343 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 70.7 m -56.06 -30.96 62.73 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.59 1.156 . . . . 20.0 113.069 177.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -54.23 -24.5 18.75 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.795 2.038 . . . . 20.0 114.838 174.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.31 29.25 3.9 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 126.322 1.915 . . . . 20.0 112.467 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.5 tttt 59.86 14.53 4.27 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.719 2.007 . . . . 20.0 114.386 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.36 15.99 2.44 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 126.625 2.059 . . . . 20.0 113.868 172.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.3 -170.63 36.37 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 125.826 1.679 . . . . 20.0 111.828 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -126.93 155.02 43.74 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 124.449 1.1 . . . . 20.0 111.893 175.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.1 m -105.38 131.97 52.15 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.907 1.683 . . . . 20.0 110.012 -174.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -136.17 163.7 48.28 Favored Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 126.226 1.81 . . . . 20.0 109.946 -169.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.55 161.43 43.55 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.473 2.115 . . . . 20.0 110.952 175.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.1 mt -63.8 -32.64 74.21 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.336 1.054 . . . . 20.0 111.113 175.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -62.46 -15.7 51.18 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.891 1.676 . . . . 20.0 114.164 175.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -70.28 144.48 51.76 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.091 0.859 . . . . 20.0 110.553 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -82.56 18.66 1.45 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.077 0.951 . . . . 20.0 113.234 172.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 m -64.03 168.73 4.98 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.547 -0.721 . . . . 20.0 110.945 160.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -66.95 172.47 4.43 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.438 1.095 . . . . 20.0 111.179 171.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -137.38 99.32 3.93 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.854 1.662 . . . . 20.0 108.96 176.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.55 178.19 1.71 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.073 1.749 . . . . 20.0 111.042 176.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -112.11 -19.59 12.24 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.859 1.059 . . . . 20.0 113.859 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -123.06 -17.76 6.59 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.901 1.28 . . . . 20.0 113.244 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -101.63 -16.66 16.65 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.66 1.184 . . . . 20.0 112.153 173.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.6 t -66.61 -50.7 62.15 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.97 0.805 . . . . 20.0 111.117 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.86 -20.39 64.27 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.773 0.829 . . . . 20.0 113.146 174.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 t -68.15 -27.34 66.35 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.29 1.036 . . . . 20.0 112.083 175.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 57.5 m -74.74 -11.55 60.19 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 114.11 1.152 . . . . 20.0 114.11 175.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.72 174.68 20.33 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 125.155 1.359 . . . . 20.0 112.82 174.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -66.39 112.46 4.05 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.865 1.666 . . . . 20.0 109.811 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.44 13.09 56.36 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-O 118.534 -1.148 . . . . 20.0 114.453 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -130.02 171.19 13.06 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.171 1.389 . . . . 20.0 111.446 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -147.39 166.95 25.64 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.139 1.776 . . . . 20.0 111.093 176.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 49.3 t -103.16 141.36 35.99 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.061 1.345 . . . . 20.0 110.067 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 73.5 m -77.99 178.37 7.54 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.475 1.11 . . . . 20.0 111.261 171.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.5 m -61.1 175.98 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 126.663 1.985 . . . . 20.0 113.352 176.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 61.6 p-90 -132.79 -9.78 3.1 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.508 1.523 . . . . 20.0 113.259 -176.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.0 tp -149.02 -37.91 0.16 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.329 0.968 . . . . 20.0 113.399 176.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 59.5 m80 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 117.471 -1.252 . . . . 20.0 110.202 -175.239 . . . . . . . . 0 0 . 1 stop_ save_