data_1fi7_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 1fi7 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.9 0 N-CA-C 105.378 -3.089 . . . . 10.0 105.378 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -67.23 130.55 43.46 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 117.08 0.44 . . . . 10.0 109.997 169.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.2 t -66.85 -42.15 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-O 118.884 -0.579 . . . . 10.0 110.383 171.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -68.92 -53.15 22.61 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 120.119 1.327 . . . . 10.0 110.817 -176.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -56.5 -45.08 81.2 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 108.636 -0.876 . . . . 10.0 108.636 173.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -50.72 -45.9 48.09 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-N 119.121 0.873 . . . . 10.0 113.304 177.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.9 tttt -57.73 -55.4 35.35 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 106.965 -1.494 . . . . 10.0 106.965 178.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -62.44 -41.32 98.64 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 120.335 -0.546 . . . . 10.0 110.842 -175.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.8 mt -57.22 -54.51 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 C-N-CA 124.19 0.996 . . . . 10.0 109.156 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -50.55 -48.23 57.46 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.291 0.496 . . . . 10.0 110.836 176.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.21 -38.64 81.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-O 121.422 0.63 . . . . 10.0 111.28 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -83.53 -18.2 39.23 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.173 0.989 . . . . 10.0 111.858 -175.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.13 -59.71 1.69 Allowed 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.786 1.235 . . . . 10.0 111.865 -176.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -106.31 -45.9 4.17 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.97 0.508 . . . . 10.0 110.251 -157.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -0.7 -71.96 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 129.241 3.017 . . . . 10.0 118.245 -177.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -77.64 52.13 0.97 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 120.556 -1.34 . . . . 10.0 109.871 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.8 t -164.88 -44.09 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.898 1.279 . . . . 10.0 110.331 170.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -120.31 157.18 29.74 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 119.125 0.875 . . . . 10.0 109.564 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.5 m -115.7 -41.39 3.23 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 113.821 1.045 . . . . 10.0 113.821 -176.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.3 m 54.54 32.15 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 C-N-CA 125.411 1.484 . . . . 10.0 112.28 -174.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -151.39 162.69 40.48 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 123.482 1.61 . . . . 10.0 113.689 174.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.91 99.09 4.4 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 127.99 2.516 . . . . 10.0 109.332 -167.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.58 -11.21 9.01 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.795 -0.922 . . . . 10.0 110.795 -166.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.49 118.99 9.42 Favored Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 111.274 -0.73 . . . . 10.0 111.274 175.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -74.65 164.27 26.77 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.871 0.868 . . . . 10.0 110.163 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -69.49 -47.08 65.02 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.639 0.776 . . . . 10.0 112.058 -166.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.3 mttt 37.22 -126.37 0.19 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.828 1.651 . . . . 10.0 112.762 -176.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.3 m -101.18 -55.83 2.46 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.458 1.103 . . . . 10.0 108.677 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.99 129.32 9.0 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 108.785 -1.726 . . . . 10.0 108.785 174.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -62.39 149.99 88.85 Favored 'Trans proline' 0 N--CA 1.442 -1.521 0 CA-C-N 119.462 1.631 . . . . 10.0 109.022 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -59.5 102.64 0.15 Allowed 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.007 -0.997 . . . . 10.0 108.964 170.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.418 HD21 ' CD2' ' A' ' 35' ' ' LEU . 6.3 mt -73.03 12.98 0.45 Allowed 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.081 1.141 . . . . 10.0 114.081 -173.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -55.31 117.09 3.23 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.091 -1.006 . . . . 10.0 109.152 170.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.79 17.93 49.84 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.268 1.413 . . . . 10.0 114.262 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.418 ' CD2' HD21 ' A' ' 32' ' ' LEU . 24.4 tp -52.5 -57.75 8.93 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.533 1.166 . . . . 10.0 112.544 173.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -76.05 108.0 8.65 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.153 -1.054 . . . . 10.0 108.153 -171.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.48 37.02 2.52 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.076 -0.81 . . . . 10.0 111.076 -175.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.5 160.93 42.66 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 107.712 -1.218 . . . . 10.0 107.712 175.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -90.53 174.98 7.24 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.101 0.96 . . . . 10.0 109.573 175.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 74.5 p -64.83 -65.77 0.63 Allowed 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 122.023 0.916 . . . . 10.0 112.771 -177.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.95 55.23 2.21 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 125.274 1.416 . . . . 10.0 112.456 -174.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -149.06 58.05 1.03 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.592 1.957 . . . . 10.0 109.542 -171.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.9 140.5 22.15 Favored Pre-proline 0 CA--C 1.535 0.37 0 O-C-N 121.715 -0.616 . . . . 10.0 111.189 -177.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -76.74 84.45 1.9 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.448 2.099 . . . . 10.0 111.22 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 59.74 39.7 95.62 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 111.441 -0.664 . . . . 10.0 111.441 175.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -117.03 144.37 44.68 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 106.995 -1.483 . . . . 10.0 106.995 173.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 m -72.04 109.88 6.15 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.262 1.025 . . . . 10.0 110.541 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.88 163.95 20.8 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.273 1.029 . . . . 10.0 110.928 176.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.424 ' C ' ' H ' ' A' ' 51' ' ' ALA . 0.9 OUTLIER -101.01 153.23 19.71 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.618 1.567 . . . . 10.0 109.771 169.309 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.73 14.5 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.079 2.152 . . . . 10.0 114.505 170.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' A' ' 49' ' ' THR . . . -111.88 -52.77 2.76 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.311 1.445 . . . . 10.0 107.975 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -60.1 -50.2 74.64 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.32 -0.854 . . . . 10.0 109.734 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -60.61 -41.85 95.62 Favored 'General case' 0 CA--C 1.529 0.141 0 O-C-N 122.129 -0.357 . . . . 10.0 110.963 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.8 -25.89 66.9 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.907 0.883 . . . . 10.0 111.834 -176.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 ttmt -64.79 -50.1 68.1 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.504 0.722 . . . . 10.0 111.835 -173.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 56.64 46.73 88.49 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.147 0.879 . . . . 10.0 113.792 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.5 pt -114.31 174.83 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 124.62 1.168 . . . . 10.0 110.492 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.4 p -100.27 155.99 17.47 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 125.618 1.567 . . . . 10.0 109.448 169.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -107.98 128.56 54.76 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.445 1.098 . . . . 10.0 108.517 170.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.406 ' NZ ' ' OE1' ' A' ' 62' ' ' GLU . 19.3 pttt -155.67 -11.32 0.11 Allowed 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 114.381 1.252 . . . . 10.0 114.381 -177.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.436 ' CD ' ' HZ3' ' A' ' 99' ' ' LYS 0.336 9.1 pt-20 134.91 -52.07 0.01 OUTLIER 'General case' 0 C--N 1.345 0.406 0 C-N-CA 130.81 3.644 . . . . 10.0 111.03 177.372 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' OE1' ' NZ ' ' A' ' 60' ' ' LYS . 14.3 mt-10 -45.44 -60.5 2.13 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.394 1.077 . . . . 10.0 112.928 174.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -48.15 70.39 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 120.676 -1.265 . . . . 10.0 110.332 -173.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.45 -49.44 9.8 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 125.578 1.551 . . . . 10.0 111.086 171.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -52.19 26.11 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 123.645 0.778 . . . . 10.0 110.053 -176.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -72.61 -51.62 18.86 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.645 -0.872 . . . . 10.0 108.645 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -43.28 -53.58 5.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.418 0.687 . . . . 10.0 110.945 -177.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.7 mt -63.91 -24.34 67.7 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.709 1.003 . . . . 10.0 113.709 -177.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -96.65 -8.76 30.76 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.635 1.107 . . . . 10.0 112.888 173.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -152.3 56.68 1.89 Allowed Pre-proline 0 N--CA 1.446 -0.657 0 N-CA-C 108.516 -0.92 . . . . 10.0 108.516 -166.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -62.45 -45.54 14.4 Favored 'Trans proline' 0 N--CA 1.45 -1.088 0 C-N-CA 121.994 1.796 . . . . 10.0 109.034 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.96 48.03 1.4 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.769 0.828 . . . . 10.0 111.752 176.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.4 -49.1 0.23 Allowed 'General case' 0 CA--C 1.522 -0.118 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 -178.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -57.47 -43.01 83.73 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 119.721 -0.18 . . . . 10.0 110.973 171.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.6 tt -162.08 117.75 1.27 Allowed Pre-proline 0 CA--C 1.538 0.492 0 CA-C-N 117.916 0.326 . . . . 10.0 110.317 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -82.76 62.21 7.72 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.709 2.273 . . . . 10.0 111.13 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -170.28 57.99 0.19 Allowed Glycine 0 C--N 1.338 0.656 0 N-CA-C 109.495 -1.442 . . . . 10.0 109.495 174.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 81.5 m -127.59 -67.77 0.81 Allowed 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 123.854 0.862 . . . . 10.0 110.193 -167.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.79 -31.5 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 124.638 1.175 . . . . 10.0 110.097 170.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.2 tmt? 55.86 83.81 0.09 Allowed 'General case' 0 C--N 1.345 0.372 0 C-N-CA 124.643 1.177 . . . . 10.0 110.669 168.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . 0.31 16.1 pt -98.98 -118.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 112.766 0.654 . . . . 10.0 112.766 -176.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -78.48 172.23 13.95 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 -175.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.42 -53.62 56.21 Favored 'General case' 0 N--CA 1.457 -0.088 0 O-C-N 122.21 -0.306 . . . . 10.0 110.695 -172.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 176.94 179.46 47.35 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 107.447 -2.261 . . . . 10.0 107.447 -176.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -54.68 -81.49 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 117.952 0.876 . . . . 10.0 112.603 -169.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -148.7 -50.69 0.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 128.13 2.572 . . . . 10.0 109.301 172.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -166.4 -153.2 0.16 Allowed 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 104.317 -2.475 . . . . 10.0 104.317 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -87.52 -37.37 16.96 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 118.246 0.476 . . . . 10.0 111.845 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.7 m -49.51 -70.54 0.09 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.683 1.193 . . . . 10.0 110.99 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -45.39 -46.48 13.29 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 124.176 0.99 . . . . 10.0 112.813 173.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.74 -42.87 89.82 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.24 0.543 . . . . 10.0 110.027 -177.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -66.13 -49.19 68.34 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.148 0.979 . . . . 10.0 108.541 -178.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -48.19 -51.13 26.51 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.412 0.685 . . . . 10.0 109.618 170.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.79 -57.62 6.08 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 124.643 1.177 . . . . 10.0 110.765 176.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.4 mp -50.09 -46.86 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.164 0.586 . . . . 10.0 110.775 175.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.97 -47.36 80.94 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 118.248 0.476 . . . . 10.0 112.057 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -57.87 -58.37 8.68 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 119.741 -0.783 . . . . 10.0 109.395 171.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.04 -50.01 11.08 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 118.527 -0.749 . . . . 10.0 112.504 -176.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.436 ' HZ3' ' CD ' ' A' ' 61' ' ' GLU . 87.4 mttt -43.75 -52.54 6.51 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.355 1.062 . . . . 10.0 111.683 175.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -65.17 -64.21 0.92 Allowed 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 107.487 -1.301 . . . . 10.0 107.487 176.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.72 -49.25 71.23 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 125.031 1.332 . . . . 10.0 111.404 -161.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 71.2 p -63.61 -33.19 75.07 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.331 -0.85 . . . . 10.0 111.252 -178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -70.7 -61.16 1.87 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.081 -1.081 . . . . 10.0 108.081 175.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--O 1.249 1.073 0 C-N-CA 127.392 2.277 . . . . 10.0 106.805 165.729 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' IMD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.9 0 N-CA-C 105.378 -3.089 . . . . 10.0 105.378 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -67.23 130.55 43.46 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 117.08 0.44 . . . . 10.0 109.997 169.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.2 t -66.85 -42.15 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-O 118.884 -0.579 . . . . 10.0 110.383 171.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -68.92 -53.15 22.61 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 120.119 1.327 . . . . 10.0 110.817 -176.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -56.5 -45.08 81.2 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 108.636 -0.876 . . . . 10.0 108.636 173.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -50.72 -45.9 48.09 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-N 119.121 0.873 . . . . 10.0 113.304 177.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.9 tttt -57.73 -55.4 35.35 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 106.965 -1.494 . . . . 10.0 106.965 178.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -62.44 -41.32 98.64 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 120.335 -0.546 . . . . 10.0 110.842 -175.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.8 mt -57.22 -54.51 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 C-N-CA 124.19 0.996 . . . . 10.0 109.156 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -50.55 -48.23 57.46 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.291 0.496 . . . . 10.0 110.836 176.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.448 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 94.6 t -62.21 -38.64 81.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-O 121.422 0.63 . . . . 10.0 111.28 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -83.53 -18.2 39.23 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.173 0.989 . . . . 10.0 111.858 -175.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.13 -59.71 1.69 Allowed 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.786 1.235 . . . . 10.0 111.865 -176.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -106.31 -45.9 4.17 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.97 0.508 . . . . 10.0 110.251 -157.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.448 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . . . -0.7 -71.96 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 129.241 3.017 . . . . 10.0 118.245 -177.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -77.64 52.13 0.97 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 120.556 -1.34 . . . . 10.0 109.871 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.42 ' SG ' ' HB ' ' A' ' 28' ' ' THR . 3.8 t -164.88 -44.09 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.898 1.279 . . . . 10.0 110.331 170.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -120.31 157.18 29.74 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 119.125 0.875 . . . . 10.0 109.564 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.486 HG21 ' HA2' ' A' ' 24' ' ' GLY . 37.5 m -115.7 -41.39 3.23 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 113.821 1.045 . . . . 10.0 113.821 -176.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.3 m 54.54 32.15 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 C-N-CA 125.411 1.484 . . . . 10.0 112.28 -174.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.435 ' HG2' HG22 ' A' ' 19' ' ' THR . 8.1 pt-20 -151.39 162.69 40.48 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 123.482 1.61 . . . . 10.0 113.689 174.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.91 99.09 4.4 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 127.99 2.516 . . . . 10.0 109.332 -167.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.58 -11.21 9.01 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.795 -0.922 . . . . 10.0 110.795 -166.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.486 ' HA2' HG21 ' A' ' 19' ' ' THR . . . -53.49 118.99 9.42 Favored Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 111.274 -0.73 . . . . 10.0 111.274 175.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -74.65 164.27 26.77 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.871 0.868 . . . . 10.0 110.163 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -69.49 -47.08 65.02 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.639 0.776 . . . . 10.0 112.058 -166.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.3 mttt 37.22 -126.37 0.19 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.828 1.651 . . . . 10.0 112.762 -176.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.647 ' O ' HMD3 ' A' ' 110' ' ' HEC . 97.3 m -101.18 -55.83 2.46 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.458 1.103 . . . . 10.0 108.677 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.99 129.32 9.0 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 108.785 -1.726 . . . . 10.0 108.785 174.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -62.39 149.99 88.85 Favored 'Trans proline' 0 N--CA 1.442 -1.521 0 CA-C-N 119.462 1.631 . . . . 10.0 109.022 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -59.5 102.64 0.15 Allowed 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.007 -0.997 . . . . 10.0 108.964 170.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.728 HD22 HD22 ' A' ' 35' ' ' LEU . 6.3 mt -73.03 12.98 0.45 Allowed 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.081 1.141 . . . . 10.0 114.081 -173.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -55.31 117.09 3.23 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.091 -1.006 . . . . 10.0 109.152 170.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.79 17.93 49.84 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.268 1.413 . . . . 10.0 114.262 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.728 HD22 HD22 ' A' ' 32' ' ' LEU . 24.4 tp -52.5 -57.75 8.93 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.533 1.166 . . . . 10.0 112.544 173.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -76.05 108.0 8.65 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.153 -1.054 . . . . 10.0 108.153 -171.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.48 37.02 2.52 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.076 -0.81 . . . . 10.0 111.076 -175.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.5 160.93 42.66 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 107.712 -1.218 . . . . 10.0 107.712 175.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -90.53 174.98 7.24 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.101 0.96 . . . . 10.0 109.573 175.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.433 HG22 ' CZ2' ' A' ' 59' ' ' TRP . 74.5 p -64.83 -65.77 0.63 Allowed 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 122.023 0.916 . . . . 10.0 112.771 -177.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.95 55.23 2.21 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 125.274 1.416 . . . . 10.0 112.456 -174.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -149.06 58.05 1.03 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.592 1.957 . . . . 10.0 109.542 -171.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.9 140.5 22.15 Favored Pre-proline 0 CA--C 1.535 0.37 0 O-C-N 121.715 -0.616 . . . . 10.0 111.189 -177.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -76.74 84.45 1.9 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.448 2.099 . . . . 10.0 111.22 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 59.74 39.7 95.62 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 111.441 -0.664 . . . . 10.0 111.441 175.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -117.03 144.37 44.68 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 106.995 -1.483 . . . . 10.0 106.995 173.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 m -72.04 109.88 6.15 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.262 1.025 . . . . 10.0 110.541 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.88 163.95 20.8 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.273 1.029 . . . . 10.0 110.928 176.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.01 153.23 19.71 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.618 1.567 . . . . 10.0 109.771 169.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.73 14.5 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.079 2.152 . . . . 10.0 114.505 170.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -111.88 -52.77 2.76 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.311 1.445 . . . . 10.0 107.975 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -60.1 -50.2 74.64 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.32 -0.854 . . . . 10.0 109.734 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -60.61 -41.85 95.62 Favored 'General case' 0 CA--C 1.529 0.141 0 O-C-N 122.129 -0.357 . . . . 10.0 110.963 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.8 -25.89 66.9 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.907 0.883 . . . . 10.0 111.834 -176.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 ttmt -64.79 -50.1 68.1 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.504 0.722 . . . . 10.0 111.835 -173.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 56.64 46.73 88.49 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.147 0.879 . . . . 10.0 113.792 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.646 HD12 HG21 ' A' ' 63' ' ' THR . 41.5 pt -114.31 174.83 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 124.62 1.168 . . . . 10.0 110.492 176.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.4 p -100.27 155.99 17.47 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 125.618 1.567 . . . . 10.0 109.448 169.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.435 ' HE1' ' H2A' ' A' ' 110' ' ' HEC . 82.1 m95 -107.98 128.56 54.76 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.445 1.098 . . . . 10.0 108.517 170.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.3 pttt -155.67 -11.32 0.11 Allowed 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 114.381 1.252 . . . . 10.0 114.381 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . 0.336 9.1 pt-20 134.91 -52.07 0.01 OUTLIER 'General case' 0 C--N 1.345 0.406 0 C-N-CA 130.81 3.644 . . . . 10.0 111.03 177.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -45.44 -60.5 2.13 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.394 1.077 . . . . 10.0 112.928 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.646 HG21 HD12 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -66.62 -48.15 70.39 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 120.676 -1.265 . . . . 10.0 110.332 -173.365 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.497 HD21 HMA1 ' A' ' 110' ' ' HEC . 0.1 OUTLIER -44.45 -49.44 9.8 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 125.578 1.551 . . . . 10.0 111.086 171.712 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -52.19 26.11 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 123.645 0.778 . . . . 10.0 110.053 -176.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -72.61 -51.62 18.86 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.645 -0.872 . . . . 10.0 108.645 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -43.28 -53.58 5.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.418 0.687 . . . . 10.0 110.945 -177.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.7 mt -63.91 -24.34 67.7 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.709 1.003 . . . . 10.0 113.709 -177.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -96.65 -8.76 30.76 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.635 1.107 . . . . 10.0 112.888 173.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -152.3 56.68 1.89 Allowed Pre-proline 0 N--CA 1.446 -0.657 0 N-CA-C 108.516 -0.92 . . . . 10.0 108.516 -166.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -62.45 -45.54 14.4 Favored 'Trans proline' 0 N--CA 1.45 -1.088 0 C-N-CA 121.994 1.796 . . . . 10.0 109.034 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.96 48.03 1.4 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.769 0.828 . . . . 10.0 111.752 176.163 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.4 -49.1 0.23 Allowed 'General case' 0 CA--C 1.522 -0.118 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 -178.235 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -57.47 -43.01 83.73 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 119.721 -0.18 . . . . 10.0 110.973 171.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.6 tt -162.08 117.75 1.27 Allowed Pre-proline 0 CA--C 1.538 0.492 0 CA-C-N 117.916 0.326 . . . . 10.0 110.317 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -82.76 62.21 7.72 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.709 2.273 . . . . 10.0 111.13 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -170.28 57.99 0.19 Allowed Glycine 0 C--N 1.338 0.656 0 N-CA-C 109.495 -1.442 . . . . 10.0 109.495 174.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 81.5 m -127.59 -67.77 0.81 Allowed 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 123.854 0.862 . . . . 10.0 110.193 -167.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.566 ' HZ1' HMD2 ' A' ' 110' ' ' HEC . 0.0 OUTLIER -174.79 -31.5 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 124.638 1.175 . . . . 10.0 110.097 170.303 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.2 tmt? 55.86 83.81 0.09 Allowed 'General case' 0 C--N 1.345 0.372 0 C-N-CA 124.643 1.177 . . . . 10.0 110.669 168.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . 0.31 16.1 pt -98.98 -118.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 112.766 0.654 . . . . 10.0 112.766 -176.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -78.48 172.23 13.95 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 -175.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.42 -53.62 56.21 Favored 'General case' 0 N--CA 1.457 -0.088 0 O-C-N 122.21 -0.306 . . . . 10.0 110.695 -172.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 176.94 179.46 47.35 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 107.447 -2.261 . . . . 10.0 107.447 -176.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.539 HG22 ' H ' ' A' ' 86' ' ' LYS . 0.5 OUTLIER -54.68 -81.49 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 117.952 0.876 . . . . 10.0 112.603 -169.776 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.539 ' H ' HG22 ' A' ' 85' ' ' ILE . 16.1 mtpt -148.7 -50.69 0.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 128.13 2.572 . . . . 10.0 109.301 172.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -166.4 -153.2 0.16 Allowed 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 104.317 -2.475 . . . . 10.0 104.317 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -87.52 -37.37 16.96 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 118.246 0.476 . . . . 10.0 111.845 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.7 m -49.51 -70.54 0.09 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.683 1.193 . . . . 10.0 110.99 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -45.39 -46.48 13.29 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 124.176 0.99 . . . . 10.0 112.813 173.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.74 -42.87 89.82 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.24 0.543 . . . . 10.0 110.027 -177.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -66.13 -49.19 68.34 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.148 0.979 . . . . 10.0 108.541 -178.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -48.19 -51.13 26.51 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.412 0.685 . . . . 10.0 109.618 170.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.79 -57.62 6.08 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 124.643 1.177 . . . . 10.0 110.765 176.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.4 mp -50.09 -46.86 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.164 0.586 . . . . 10.0 110.775 175.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.97 -47.36 80.94 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 118.248 0.476 . . . . 10.0 112.057 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -57.87 -58.37 8.68 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 119.741 -0.783 . . . . 10.0 109.395 171.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.403 ' CD2' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -45.04 -50.01 11.08 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 118.527 -0.749 . . . . 10.0 112.504 -176.001 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -43.75 -52.54 6.51 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.355 1.062 . . . . 10.0 111.683 175.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -65.17 -64.21 0.92 Allowed 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 107.487 -1.301 . . . . 10.0 107.487 176.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.72 -49.25 71.23 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 125.031 1.332 . . . . 10.0 111.404 -161.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 71.2 p -63.61 -33.19 75.07 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.331 -0.85 . . . . 10.0 111.252 -178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -70.7 -61.16 1.87 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.081 -1.081 . . . . 10.0 108.081 175.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--O 1.249 1.073 0 C-N-CA 127.392 2.277 . . . . 10.0 106.805 165.729 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 105' ' ' IMD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 0.853 HBC3 HMC1 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.9 0 N-CA-C 105.378 -3.089 . . . . 10.0 105.378 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -67.23 130.55 43.46 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 117.08 0.44 . . . . 10.0 109.997 169.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.2 t -66.85 -42.15 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-O 118.884 -0.579 . . . . 10.0 110.383 171.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -68.92 -53.15 22.61 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 120.119 1.327 . . . . 10.0 110.817 -176.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -56.5 -45.08 81.2 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 108.636 -0.876 . . . . 10.0 108.636 173.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -50.72 -45.9 48.09 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-N 119.121 0.873 . . . . 10.0 113.304 177.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.9 tttt -57.73 -55.4 35.35 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 106.965 -1.494 . . . . 10.0 106.965 178.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -62.44 -41.32 98.64 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 120.335 -0.546 . . . . 10.0 110.842 -175.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.8 mt -57.22 -54.51 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 C-N-CA 124.19 0.996 . . . . 10.0 109.156 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -50.55 -48.23 57.46 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.291 0.496 . . . . 10.0 110.836 176.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.448 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 94.6 t -62.21 -38.64 81.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-O 121.422 0.63 . . . . 10.0 111.28 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -83.53 -18.2 39.23 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.173 0.989 . . . . 10.0 111.858 -175.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.13 -59.71 1.69 Allowed 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.786 1.235 . . . . 10.0 111.865 -176.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -106.31 -45.9 4.17 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.97 0.508 . . . . 10.0 110.251 -157.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.448 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . . . -0.7 -71.96 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 129.241 3.017 . . . . 10.0 118.245 -177.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -77.64 52.13 0.97 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 120.556 -1.34 . . . . 10.0 109.871 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.42 ' SG ' ' HB ' ' A' ' 28' ' ' THR . 3.8 t -164.88 -44.09 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.898 1.279 . . . . 10.0 110.331 170.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -120.31 157.18 29.74 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 119.125 0.875 . . . . 10.0 109.564 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.486 HG21 ' HA2' ' A' ' 24' ' ' GLY . 37.5 m -115.7 -41.39 3.23 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 113.821 1.045 . . . . 10.0 113.821 -176.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.3 m 54.54 32.15 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 C-N-CA 125.411 1.484 . . . . 10.0 112.28 -174.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.435 ' HG2' HG22 ' A' ' 19' ' ' THR . 8.1 pt-20 -151.39 162.69 40.48 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 123.482 1.61 . . . . 10.0 113.689 174.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.91 99.09 4.4 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 127.99 2.516 . . . . 10.0 109.332 -167.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.58 -11.21 9.01 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.795 -0.922 . . . . 10.0 110.795 -166.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.486 ' HA2' HG21 ' A' ' 19' ' ' THR . . . -53.49 118.99 9.42 Favored Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 111.274 -0.73 . . . . 10.0 111.274 175.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -74.65 164.27 26.77 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.871 0.868 . . . . 10.0 110.163 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -69.49 -47.08 65.02 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.639 0.776 . . . . 10.0 112.058 -166.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.3 mttt 37.22 -126.37 0.19 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.828 1.651 . . . . 10.0 112.762 -176.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.647 ' O ' HMD3 ' A' ' 110' ' ' HEC . 97.3 m -101.18 -55.83 2.46 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.458 1.103 . . . . 10.0 108.677 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.99 129.32 9.0 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 108.785 -1.726 . . . . 10.0 108.785 174.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -62.39 149.99 88.85 Favored 'Trans proline' 0 N--CA 1.442 -1.521 0 CA-C-N 119.462 1.631 . . . . 10.0 109.022 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -59.5 102.64 0.15 Allowed 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.007 -0.997 . . . . 10.0 108.964 170.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.728 HD22 HD22 ' A' ' 35' ' ' LEU . 6.3 mt -73.03 12.98 0.45 Allowed 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.081 1.141 . . . . 10.0 114.081 -173.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -55.31 117.09 3.23 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.091 -1.006 . . . . 10.0 109.152 170.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.79 17.93 49.84 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.268 1.413 . . . . 10.0 114.262 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.728 HD22 HD22 ' A' ' 32' ' ' LEU . 24.4 tp -52.5 -57.75 8.93 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.533 1.166 . . . . 10.0 112.544 173.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -76.05 108.0 8.65 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.153 -1.054 . . . . 10.0 108.153 -171.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.48 37.02 2.52 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.076 -0.81 . . . . 10.0 111.076 -175.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.5 160.93 42.66 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 107.712 -1.218 . . . . 10.0 107.712 175.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -90.53 174.98 7.24 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.101 0.96 . . . . 10.0 109.573 175.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.433 HG22 ' CZ2' ' A' ' 59' ' ' TRP . 74.5 p -64.83 -65.77 0.63 Allowed 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 122.023 0.916 . . . . 10.0 112.771 -177.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.95 55.23 2.21 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 125.274 1.416 . . . . 10.0 112.456 -174.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -149.06 58.05 1.03 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.592 1.957 . . . . 10.0 109.542 -171.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.9 140.5 22.15 Favored Pre-proline 0 CA--C 1.535 0.37 0 O-C-N 121.715 -0.616 . . . . 10.0 111.189 -177.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -76.74 84.45 1.9 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.448 2.099 . . . . 10.0 111.22 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 59.74 39.7 95.62 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 111.441 -0.664 . . . . 10.0 111.441 175.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -117.03 144.37 44.68 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 106.995 -1.483 . . . . 10.0 106.995 173.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 m -72.04 109.88 6.15 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.262 1.025 . . . . 10.0 110.541 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.88 163.95 20.8 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.273 1.029 . . . . 10.0 110.928 176.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.01 153.23 19.71 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.618 1.567 . . . . 10.0 109.771 169.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.73 14.5 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.079 2.152 . . . . 10.0 114.505 170.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -111.88 -52.77 2.76 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.311 1.445 . . . . 10.0 107.975 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -60.1 -50.2 74.64 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.32 -0.854 . . . . 10.0 109.734 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -60.61 -41.85 95.62 Favored 'General case' 0 CA--C 1.529 0.141 0 O-C-N 122.129 -0.357 . . . . 10.0 110.963 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.8 -25.89 66.9 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.907 0.883 . . . . 10.0 111.834 -176.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 ttmt -64.79 -50.1 68.1 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.504 0.722 . . . . 10.0 111.835 -173.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 56.64 46.73 88.49 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.147 0.879 . . . . 10.0 113.792 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.646 HD12 HG21 ' A' ' 63' ' ' THR . 41.5 pt -114.31 174.83 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 124.62 1.168 . . . . 10.0 110.492 176.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.4 p -100.27 155.99 17.47 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 125.618 1.567 . . . . 10.0 109.448 169.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.435 ' HE1' ' H2A' ' A' ' 110' ' ' HEC . 82.1 m95 -107.98 128.56 54.76 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.445 1.098 . . . . 10.0 108.517 170.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.3 pttt -155.67 -11.32 0.11 Allowed 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 114.381 1.252 . . . . 10.0 114.381 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . 0.336 9.1 pt-20 134.91 -52.07 0.01 OUTLIER 'General case' 0 C--N 1.345 0.406 0 C-N-CA 130.81 3.644 . . . . 10.0 111.03 177.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -45.44 -60.5 2.13 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.394 1.077 . . . . 10.0 112.928 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.646 HG21 HD12 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -66.62 -48.15 70.39 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 120.676 -1.265 . . . . 10.0 110.332 -173.365 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.497 HD21 HMA1 ' A' ' 110' ' ' HEC . 0.1 OUTLIER -44.45 -49.44 9.8 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 125.578 1.551 . . . . 10.0 111.086 171.712 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -52.19 26.11 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 123.645 0.778 . . . . 10.0 110.053 -176.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -72.61 -51.62 18.86 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.645 -0.872 . . . . 10.0 108.645 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -43.28 -53.58 5.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.418 0.687 . . . . 10.0 110.945 -177.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.7 mt -63.91 -24.34 67.7 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.709 1.003 . . . . 10.0 113.709 -177.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -96.65 -8.76 30.76 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.635 1.107 . . . . 10.0 112.888 173.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -152.3 56.68 1.89 Allowed Pre-proline 0 N--CA 1.446 -0.657 0 N-CA-C 108.516 -0.92 . . . . 10.0 108.516 -166.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -62.45 -45.54 14.4 Favored 'Trans proline' 0 N--CA 1.45 -1.088 0 C-N-CA 121.994 1.796 . . . . 10.0 109.034 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.96 48.03 1.4 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.769 0.828 . . . . 10.0 111.752 176.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.4 -49.1 0.23 Allowed 'General case' 0 CA--C 1.522 -0.118 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 -178.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -57.47 -43.01 83.73 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 119.721 -0.18 . . . . 10.0 110.973 171.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.6 tt -162.08 117.75 1.27 Allowed Pre-proline 0 CA--C 1.538 0.492 0 CA-C-N 117.916 0.326 . . . . 10.0 110.317 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -82.76 62.21 7.72 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.709 2.273 . . . . 10.0 111.13 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -170.28 57.99 0.19 Allowed Glycine 0 C--N 1.338 0.656 0 N-CA-C 109.495 -1.442 . . . . 10.0 109.495 174.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 81.5 m -127.59 -67.77 0.81 Allowed 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 123.854 0.862 . . . . 10.0 110.193 -167.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.566 ' HZ1' HMD2 ' A' ' 110' ' ' HEC . 0.0 OUTLIER -174.79 -31.5 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 124.638 1.175 . . . . 10.0 110.097 170.303 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.2 tmt? 55.86 83.81 0.09 Allowed 'General case' 0 C--N 1.345 0.372 0 C-N-CA 124.643 1.177 . . . . 10.0 110.669 168.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . 0.31 16.1 pt -98.98 -118.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 112.766 0.654 . . . . 10.0 112.766 -176.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -78.48 172.23 13.95 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 -175.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.42 -53.62 56.21 Favored 'General case' 0 N--CA 1.457 -0.088 0 O-C-N 122.21 -0.306 . . . . 10.0 110.695 -172.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 176.94 179.46 47.35 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 107.447 -2.261 . . . . 10.0 107.447 -176.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.539 HG22 ' H ' ' A' ' 86' ' ' LYS . 0.5 OUTLIER -54.68 -81.49 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 117.952 0.876 . . . . 10.0 112.603 -169.776 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.539 ' H ' HG22 ' A' ' 85' ' ' ILE . 16.1 mtpt -148.7 -50.69 0.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 128.13 2.572 . . . . 10.0 109.301 172.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -166.4 -153.2 0.16 Allowed 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 104.317 -2.475 . . . . 10.0 104.317 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -87.52 -37.37 16.96 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 118.246 0.476 . . . . 10.0 111.845 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.7 m -49.51 -70.54 0.09 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.683 1.193 . . . . 10.0 110.99 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -45.39 -46.48 13.29 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 124.176 0.99 . . . . 10.0 112.813 173.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.74 -42.87 89.82 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.24 0.543 . . . . 10.0 110.027 -177.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -66.13 -49.19 68.34 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.148 0.979 . . . . 10.0 108.541 -178.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -48.19 -51.13 26.51 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.412 0.685 . . . . 10.0 109.618 170.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.79 -57.62 6.08 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 124.643 1.177 . . . . 10.0 110.765 176.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.4 mp -50.09 -46.86 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.164 0.586 . . . . 10.0 110.775 175.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.97 -47.36 80.94 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 118.248 0.476 . . . . 10.0 112.057 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -57.87 -58.37 8.68 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 119.741 -0.783 . . . . 10.0 109.395 171.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.403 ' CD2' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -45.04 -50.01 11.08 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 118.527 -0.749 . . . . 10.0 112.504 -176.001 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -43.75 -52.54 6.51 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.355 1.062 . . . . 10.0 111.683 175.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -65.17 -64.21 0.92 Allowed 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 107.487 -1.301 . . . . 10.0 107.487 176.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.72 -49.25 71.23 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 125.031 1.332 . . . . 10.0 111.404 -161.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 71.2 p -63.61 -33.19 75.07 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.331 -0.85 . . . . 10.0 111.252 -178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -70.7 -61.16 1.87 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.081 -1.081 . . . . 10.0 108.081 175.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--O 1.249 1.073 0 C-N-CA 127.392 2.277 . . . . 10.0 106.805 165.729 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' IMD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 0.853 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_