data_1dk3_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 1dk3 _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' ' ' MET . . . . . . . . . . . . . 14.0 mtm . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.472 -0.566 . . . . 15.52 109.472 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t 60.1 99.5 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.507 -0.746 . . . . 12.97 109.671 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 84.83 -40.85 0.06 Allowed 'General case' 0 N--CA 1.508 2.458 0 O-C-N 122.102 -0.374 . . . . 14.79 110.581 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.1 tpp180 -100.9 84.01 2.63 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.145 -0.972 . . . . 13.69 109.479 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -94.17 158.92 15.38 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.614 -0.679 . . . . 12.92 109.487 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.94 170.91 2.18 Favored Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.536 -0.728 . . . . 8.68 109.433 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -86.58 124.09 2.25 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 123.433 2.755 . . . . 8.36 110.502 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -63.49 -59.72 4.28 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.631 -0.668 . . . . 8.04 109.49 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -97.47 92.69 6.06 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.637 -0.664 . . . . 6.48 109.461 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.35 101.44 0.31 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.552 -0.718 . . . . 4.71 109.436 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.4 mt -89.6 -72.79 0.54 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.565 -0.709 . . . . 2.53 109.496 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -104.73 44.28 1.04 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.622 -0.674 . . . . 1.99 109.299 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.98 -12.65 61.73 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 110.59 -1.004 . . . . 0.74 110.59 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -90.88 -35.79 7.04 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 108.885 -1.686 . . . . 0.58 108.885 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.402 ' CG2' ' CD1' ' A' ' 19' ' ' LEU . 4.9 mt -69.31 -58.77 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.858 -0.789 . . . . 1.17 109.262 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 t -52.77 -30.73 34.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.758 -0.589 . . . . 1.21 110.549 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -66.02 -29.92 70.37 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.506 -0.746 . . . . 1.67 109.757 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.1 mmt -90.47 -22.77 21.22 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.51 -0.744 . . . . 2.53 110.021 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.402 ' CD1' ' CG2' ' A' ' 15' ' ' ILE . 2.0 mp -88.43 -33.45 17.87 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.42 -0.8 . . . . 1.17 108.865 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.9 t -78.25 -31.95 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 N-CA-C 109.029 -0.73 . . . . 1.09 109.029 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.27 -61.09 1.93 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.539 -0.725 . . . . 2.15 109.477 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.455 ' CD1' ' CD1' ' A' ' 39' ' ' TYR . 4.0 pp -61.92 -32.15 72.52 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.393 -0.817 . . . . 1.5 109.202 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.51 -43.65 65.22 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.537 -0.727 . . . . 1.03 109.527 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -63.0 -36.64 84.22 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.985 -1.117 . . . . 2.14 107.985 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -63.85 -22.57 66.98 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.949 -0.469 . . . . 2.15 109.737 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -77.53 -57.6 3.73 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.378 -0.826 . . . . 1.38 109.086 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.409 ' HB2' ' CD1' ' A' ' 36' ' ' TYR . 31.2 tttt -68.02 -39.76 83.08 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.545 -0.722 . . . . 2.54 109.543 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -58.29 -26.17 62.69 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.401 -0.812 . . . . 1.82 109.618 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.3 t -89.41 164.29 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 N-CA-C 108.311 -0.996 . . . . 1.13 108.311 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.9 t -77.27 -70.48 0.47 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.502 -0.749 . . . . 1.32 110.97 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -83.77 61.2 6.2 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.388 -0.82 . . . . 1.62 110.556 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -150.81 57.26 0.92 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.317 -0.864 . . . . 1.09 109.718 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -103.01 -30.42 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.403 -0.811 . . . . 1.19 108.985 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.449 ' CD2' ' CD ' ' A' ' 35' ' ' LYS . 5.0 p-80 -63.63 -47.83 79.77 Favored 'General case' 0 N--CA 1.503 2.187 0 N-CA-C 108.612 -0.885 . . . . 0.46 108.612 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.449 ' CD ' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -70.46 -22.98 62.63 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.621 -0.674 . . . . 1.99 109.468 179.076 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.409 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 27.1 t80 -55.48 -68.24 0.21 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.273 -0.892 . . . . 2.04 109.735 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -54.83 -23.63 19.25 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.431 -0.793 . . . . 2.19 110.108 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.75 -60.72 2.97 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.349 -0.844 . . . . 1.07 109.977 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.455 ' CD1' ' CD1' ' A' ' 22' ' ' LEU . 49.7 m-85 -85.7 -26.99 25.61 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.561 -0.712 . . . . 2.33 109.951 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.08 -41.63 97.24 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.383 -0.823 . . . . 3.07 109.346 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -80.41 -45.76 17.13 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.592 -0.693 . . . . 2.8 109.621 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.87 99.55 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.499 -0.751 . . . . 1.15 109.527 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.16 -30.02 69.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.59 -0.694 . . . . 1.14 109.467 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.7 t -66.55 -55.05 17.29 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.613 -0.679 . . . . 1.66 109.897 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.5 p -62.54 -44.81 99.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.51 -0.744 . . . . 1.22 109.999 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.422 HD11 HG22 ' A' ' 46' ' ' ILE . 78.6 mt -67.44 -50.96 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.446 -0.784 . . . . 1.24 109.664 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.25 -21.46 61.89 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.45 -0.781 . . . . 1.2 110.17 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -118.12 27.63 8.87 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.329 -0.857 . . . . 3.13 109.697 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.448 ' CE1' ' CD2' ' A' ' 62' ' ' LEU . 1.8 t80 -91.52 141.97 26.42 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.503 -0.748 . . . . 2.19 109.143 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.44 ' HD2' ' CD1' ' A' ' 49' ' ' TYR . 42.1 Cg_endo -85.52 5.31 6.19 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 123.0 2.467 . . . . 0.64 111.154 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.421 ' CD2' ' HG2' ' A' ' 50' ' ' PRO . 66.9 m-70 -146.66 178.45 8.29 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.235 -0.915 . . . . 0.88 109.688 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -104.21 143.71 32.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.588 -0.695 . . . . 3.79 109.455 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.4 mt -77.99 116.62 21.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.601 -0.687 . . . . 1.74 109.302 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -71.11 -63.93 1.01 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.588 -0.695 . . . . 3.68 109.54 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.4 m -117.57 178.96 4.2 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.608 -0.682 . . . . 1.87 109.493 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.09 -29.15 71.95 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.718 -1.353 . . . . 0.55 109.718 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.3 96.29 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.5 -1.0 . . . . 1.27 109.449 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -61.82 -20.34 63.54 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.569 -0.707 . . . . 1.9 110.023 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.56 -29.57 18.8 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.296 -0.877 . . . . 1.13 109.501 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -76.24 -35.84 58.81 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.533 -0.729 . . . . 2.88 109.725 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -60.7 -26.42 67.13 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.481 -0.762 . . . . 1.79 109.86 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.448 ' CD2' ' CE1' ' A' ' 49' ' ' TYR . 50.6 mt -60.87 146.94 86.13 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.614 -0.679 . . . . 1.36 109.624 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -79.54 114.33 3.23 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 C-N-CA 123.029 2.486 . . . . 0.66 110.254 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.77 -26.03 7.37 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.487 -1.445 . . . . 0.88 109.487 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 22.2 t -89.73 137.53 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.561 -0.964 . . . . 1.31 109.419 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -103.67 -144.29 13.52 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.502 -1.439 . . . . 0.7 109.502 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.2 p -99.08 -29.37 12.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.587 -0.949 . . . . 2.17 109.594 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -66.42 -64.96 0.74 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.571 -0.706 . . . . 3.3 109.579 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.4 mm -61.79 -43.43 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.595 -0.69 . . . . 1.11 109.743 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.77 -34.16 72.63 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.554 -0.716 . . . . 1.03 109.659 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.0 -42.84 99.21 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.585 -0.697 . . . . 2.21 109.584 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -62.96 -31.15 72.19 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.609 -0.682 . . . . 2.49 109.376 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.421 HG22 HD13 ' A' ' 73' ' ' ILE . 47.7 mm -64.15 -44.5 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 N-CA-C 109.057 -0.72 . . . . 1.14 109.057 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -55.48 -40.77 72.08 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.521 -0.737 . . . . 1.65 109.788 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -63.29 -29.43 70.76 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 109.045 -0.724 . . . . 2.47 109.045 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.12 -52.14 26.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.591 -0.693 . . . . 2.25 109.303 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.406 ' N ' ' CD2' ' A' ' 77' ' ' LEU . 3.8 mm? -72.92 -25.75 61.16 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.93 -0.481 . . . . 1.14 110.075 -179.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.8 -79.46 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.397 -0.814 . . . . 1.1 109.645 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.5 m -102.47 -54.19 2.72 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.443 -0.785 . . . . 1.9 109.466 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 120.27 -49.19 0.89 Allowed Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.546 -1.422 . . . . 1.78 109.546 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -79.07 148.03 32.59 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.597 -0.943 . . . . 5.08 109.445 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.4 mt -126.71 90.55 3.18 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.591 -0.693 . . . . 5.4 109.497 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -63.43 -179.31 0.33 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.657 -0.652 . . . . 8.68 109.461 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -98.54 34.78 1.94 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.586 -0.696 . . . . 9.14 109.521 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.6 mp -76.73 108.94 10.1 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.645 -0.659 . . . . 9.41 109.491 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -98.65 34.51 2.03 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.563 -0.711 . . . . 11.48 109.469 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 118.014 -0.993 . . . . 15.62 109.473 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.0 mtm . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.472 -0.566 . . . . 15.359999999999999 109.472 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t 60.1 99.5 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.507 -0.746 . . . . 12.73 109.671 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 84.83 -40.85 0.06 Allowed 'General case' 0 N--CA 1.508 2.458 0 O-C-N 122.102 -0.374 . . . . 14.52 110.581 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.1 tpp180 -100.9 84.01 2.63 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.145 -0.972 . . . . 13.130000000000001 109.479 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -94.17 158.92 15.38 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.614 -0.679 . . . . 12.619999999999999 109.487 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.558 ' HB1' ' HD2' ' A' ' 7' ' ' PRO . . . -62.94 170.91 2.18 Favored Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.536 -0.728 . . . . 8.5399999999999991 109.433 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.558 ' HD2' ' HB1' ' A' ' 6' ' ' ALA . 43.2 Cg_endo -86.58 124.09 2.25 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 123.433 2.755 . . . . 7.6299999999999999 110.502 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -63.49 -59.72 4.28 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.631 -0.668 . . . . 7.5 109.49 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -97.47 92.69 6.06 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.637 -0.664 . . . . 6.4800000000000004 109.461 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.35 101.44 0.31 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.552 -0.718 . . . . 4.3099999999999996 109.436 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.48 HD22 ' HE2' ' A' ' 52' ' ' LYS . 92.4 mt -89.6 -72.79 0.54 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.565 -0.709 . . . . 1.99 109.496 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.483 ' O ' HG22 ' A' ' 16' ' ' THR . 2.5 m120 -104.73 44.28 1.04 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.622 -0.674 . . . . 1.99 109.299 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.98 -12.65 61.73 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 110.59 -1.004 . . . . 0.64000000000000001 110.59 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -90.88 -35.79 7.04 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 108.885 -1.686 . . . . 0.51000000000000001 108.885 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.838 HG22 ' CD1' ' A' ' 19' ' ' LEU . 4.9 mt -69.31 -58.77 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.858 -0.789 . . . . 0.5 109.262 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.602 ' O ' HG23 ' A' ' 20' ' ' VAL . 5.3 t -52.77 -30.73 34.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.758 -0.589 . . . . 0.67000000000000004 110.549 -179.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -66.02 -29.92 70.37 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.506 -0.746 . . . . 1.6699999999999999 109.757 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.526 ' O ' HD23 ' A' ' 22' ' ' LEU . 4.1 mmt -90.47 -22.77 21.22 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.51 -0.744 . . . . 1.9099999999999999 110.021 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.838 ' CD1' HG22 ' A' ' 15' ' ' ILE . 2.0 mp -88.43 -33.45 17.87 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.42 -0.8 . . . . 0.57999999999999996 108.865 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 16' ' ' THR . 57.9 t -78.25 -31.95 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 N-CA-C 109.029 -0.73 . . . . 0.28999999999999998 109.029 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.27 -61.09 1.93 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.539 -0.725 . . . . 2.1499999999999999 109.477 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.932 HD11 ' CG ' ' A' ' 39' ' ' TYR . 4.0 pp -61.92 -32.15 72.52 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.393 -0.817 . . . . 0.72999999999999998 109.202 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' A' ' 19' ' ' LEU . . . -52.51 -43.65 65.22 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.537 -0.727 . . . . 0.20999999999999999 109.527 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -63.0 -36.64 84.22 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.985 -1.117 . . . . 1.6599999999999999 107.985 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.512 ' O ' HG23 ' A' ' 29' ' ' VAL . 45.9 t80 -63.85 -22.57 66.98 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.949 -0.469 . . . . 1.27 109.737 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.555 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 1.4 mm-40 -77.53 -57.6 3.73 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.378 -0.826 . . . . 1.3799999999999999 109.086 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 31.2 tttt -68.02 -39.76 83.08 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.545 -0.722 . . . . 2.0899999999999999 109.543 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -58.29 -26.17 62.69 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.401 -0.812 . . . . 1.25 109.618 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 25' ' ' PHE . 70.3 t -89.41 164.29 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 N-CA-C 108.311 -0.996 . . . . 0.39000000000000001 108.311 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.444 ' N ' HG12 ' A' ' 29' ' ' VAL . 47.9 t -77.27 -70.48 0.47 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.502 -0.749 . . . . 0.72999999999999998 110.97 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -83.77 61.2 6.2 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.388 -0.82 . . . . 1.0700000000000001 110.556 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 26' ' ' GLU . . . -150.81 57.26 0.92 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.317 -0.864 . . . . 0.39000000000000001 109.718 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -103.01 -30.42 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.403 -0.811 . . . . 0.40999999999999998 108.985 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.449 ' CD2' ' CD ' ' A' ' 35' ' ' LYS . 5.0 p-80 -63.63 -47.83 79.77 Favored 'General case' 0 N--CA 1.503 2.187 0 N-CA-C 108.612 -0.885 . . . . 0.44 108.612 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.613 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -70.46 -22.98 62.63 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.621 -0.674 . . . . 1.4199999999999999 109.468 179.076 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 27' ' ' LYS . 27.1 t80 -55.48 -68.24 0.21 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.273 -0.892 . . . . 1.1699999999999999 109.735 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -54.83 -23.63 19.25 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.431 -0.793 . . . . 1.8300000000000001 110.108 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 1.081 ' HB1' HD11 ' A' ' 69' ' ' ILE . . . -54.75 -60.72 2.97 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.349 -0.844 . . . . 0.34000000000000002 109.977 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.932 ' CG ' HD11 ' A' ' 22' ' ' LEU . 49.7 m-85 -85.7 -26.99 25.61 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.561 -0.712 . . . . 1.3999999999999999 109.951 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.08 -41.63 97.24 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.383 -0.823 . . . . 2.3399999999999999 109.346 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -80.41 -45.76 17.13 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.592 -0.693 . . . . 2.3799999999999999 109.621 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.751 ' CB ' HG21 ' A' ' 69' ' ' ILE . . . -62.87 -41.87 99.55 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.499 -0.751 . . . . 0.45000000000000001 109.527 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.16 -30.02 69.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.59 -0.694 . . . . 0.40000000000000002 109.467 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.7 t -66.55 -55.05 17.29 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.613 -0.679 . . . . 1.2 109.897 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.87 HG21 ' HB3' ' A' ' 62' ' ' LEU . 8.5 p -62.54 -44.81 99.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.51 -0.744 . . . . 0.53000000000000003 109.999 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.485 ' N ' HG13 ' A' ' 45' ' ' VAL . 78.6 mt -67.44 -50.96 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.446 -0.784 . . . . 0.55000000000000004 109.664 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.402 ' HB2' ' OG1' ' A' ' 16' ' ' THR . . . -60.25 -21.46 61.89 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.45 -0.781 . . . . 0.46999999999999997 110.17 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -118.12 27.63 8.87 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.329 -0.857 . . . . 2.71 109.697 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.614 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 1.8 t80 -91.52 141.97 26.42 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.503 -0.748 . . . . 1.29 109.143 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.473 ' HD2' ' CD1' ' A' ' 49' ' ' TYR . 42.1 Cg_endo -85.52 5.31 6.19 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 123.0 2.467 . . . . 0.64000000000000001 111.154 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.414 ' CD2' ' HG2' ' A' ' 50' ' ' PRO . 66.9 m-70 -146.66 178.45 8.29 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.235 -0.915 . . . . 0.80000000000000004 109.688 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.48 ' HE2' HD22 ' A' ' 11' ' ' LEU . 30.9 mtmt -104.21 143.71 32.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.588 -0.695 . . . . 3.4300000000000002 109.455 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.55 HG23 ' CB ' ' A' ' 58' ' ' GLU . 44.4 mt -77.99 116.62 21.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.601 -0.687 . . . . 1.1200000000000001 109.302 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -71.11 -63.93 1.01 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.588 -0.695 . . . . 3.1200000000000001 109.54 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.4 m -117.57 178.96 4.2 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.608 -0.682 . . . . 1.48 109.493 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.09 -29.15 71.95 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.718 -1.353 . . . . 0.47999999999999998 109.718 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.3 96.29 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.5 -1.0 . . . . 0.63 109.449 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.55 ' CB ' HG23 ' A' ' 53' ' ' ILE . 5.0 mt-10 -61.82 -20.34 63.54 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.569 -0.707 . . . . 1.8999999999999999 110.023 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.68 ' HB2' HG21 ' A' ' 73' ' ' ILE . . . -89.56 -29.57 18.8 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.296 -0.877 . . . . 0.37 109.501 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.467 ' HE3' HG22 ' A' ' 67' ' ' THR . 9.3 tttt -76.24 -35.84 58.81 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.533 -0.729 . . . . 2.5099999999999998 109.725 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -60.7 -26.42 67.13 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.481 -0.762 . . . . 1.1899999999999999 109.86 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.87 ' HB3' HG21 ' A' ' 45' ' ' VAL . 50.6 mt -60.87 146.94 86.13 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.614 -0.679 . . . . 0.78000000000000003 109.624 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -79.54 114.33 3.23 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 C-N-CA 123.029 2.486 . . . . 0.66000000000000003 110.254 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.77 -26.03 7.37 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.487 -1.445 . . . . 0.78000000000000003 109.487 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.579 HG12 ' HB2' ' A' ' 70' ' ' ALA . 22.2 t -89.73 137.53 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.561 -0.964 . . . . 0.57999999999999996 109.419 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -103.67 -144.29 13.52 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.502 -1.439 . . . . 0.58999999999999997 109.502 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.467 HG22 ' HE3' ' A' ' 60' ' ' LYS . 71.2 p -99.08 -29.37 12.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.587 -0.949 . . . . 1.55 109.594 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -66.42 -64.96 0.74 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.571 -0.706 . . . . 2.9300000000000002 109.579 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 1.081 HD11 ' HB1' ' A' ' 38' ' ' ALA . 50.4 mm -61.79 -43.43 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.595 -0.69 . . . . 0.37 109.743 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.579 ' HB2' HG12 ' A' ' 65' ' ' VAL . . . -59.77 -34.16 72.63 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.554 -0.716 . . . . 0.26000000000000001 109.659 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.0 -42.84 99.21 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.585 -0.697 . . . . 2.21 109.584 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -62.96 -31.15 72.19 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.609 -0.682 . . . . 2.0499999999999998 109.376 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.68 HG21 ' HB2' ' A' ' 59' ' ' ALA . 47.7 mm -64.15 -44.5 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 N-CA-C 109.057 -0.72 . . . . 0.37 109.057 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -55.48 -40.77 72.08 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.521 -0.737 . . . . 1.6499999999999999 109.788 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -63.29 -29.43 70.76 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 109.045 -0.724 . . . . 2.4700000000000002 109.045 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.12 -52.14 26.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.591 -0.693 . . . . 1.3300000000000001 109.303 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.586 HD22 ' N ' ' A' ' 77' ' ' LEU . 3.8 mm? -72.92 -25.75 61.16 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.93 -0.481 . . . . 0.39000000000000001 110.075 -179.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.8 -79.46 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.397 -0.814 . . . . 0.40999999999999998 109.645 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.5 m -102.47 -54.19 2.72 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.443 -0.785 . . . . 1.3700000000000001 109.466 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 120.27 -49.19 0.89 Allowed Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.546 -1.422 . . . . 1.78 109.546 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -79.07 148.03 32.59 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.597 -0.943 . . . . 4.75 109.445 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.4 mt -126.71 90.55 3.18 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.591 -0.693 . . . . 5.0700000000000003 109.497 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -63.43 -179.31 0.33 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.657 -0.652 . . . . 8.1199999999999992 109.461 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -98.54 34.78 1.94 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.586 -0.696 . . . . 8.8399999999999999 109.521 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.6 mp -76.73 108.94 10.1 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.645 -0.659 . . . . 9.4100000000000001 109.491 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -98.65 34.51 2.03 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.563 -0.711 . . . . 11.48 109.469 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 118.014 -0.993 . . . . 15.34 109.473 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.0 mtm . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.472 -0.566 . . . . 15.359999999999999 109.472 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t 60.1 99.5 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.507 -0.746 . . . . 12.73 109.671 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 84.83 -40.85 0.06 Allowed 'General case' 0 N--CA 1.508 2.458 0 O-C-N 122.102 -0.374 . . . . 14.52 110.581 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.1 tpp180 -100.9 84.01 2.63 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.145 -0.972 . . . . 13.130000000000001 109.479 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -94.17 158.92 15.38 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.614 -0.679 . . . . 12.619999999999999 109.487 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.558 ' HB1' ' HD2' ' A' ' 7' ' ' PRO . . . -62.94 170.91 2.18 Favored Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.536 -0.728 . . . . 8.5399999999999991 109.433 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.558 ' HD2' ' HB1' ' A' ' 6' ' ' ALA . 43.2 Cg_endo -86.58 124.09 2.25 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 123.433 2.755 . . . . 7.6299999999999999 110.502 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -63.49 -59.72 4.28 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.631 -0.668 . . . . 7.5 109.49 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -97.47 92.69 6.06 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.637 -0.664 . . . . 6.4800000000000004 109.461 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.35 101.44 0.31 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.552 -0.718 . . . . 4.3099999999999996 109.436 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.48 HD22 ' HE2' ' A' ' 52' ' ' LYS . 92.4 mt -89.6 -72.79 0.54 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.565 -0.709 . . . . 1.99 109.496 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.483 ' O ' HG22 ' A' ' 16' ' ' THR . 2.5 m120 -104.73 44.28 1.04 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.622 -0.674 . . . . 1.99 109.299 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.98 -12.65 61.73 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 110.59 -1.004 . . . . 0.64000000000000001 110.59 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -90.88 -35.79 7.04 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 108.885 -1.686 . . . . 0.51000000000000001 108.885 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.838 HG22 ' CD1' ' A' ' 19' ' ' LEU . 4.9 mt -69.31 -58.77 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.858 -0.789 . . . . 0.5 109.262 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.602 ' O ' HG23 ' A' ' 20' ' ' VAL . 5.3 t -52.77 -30.73 34.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.758 -0.589 . . . . 0.67000000000000004 110.549 -179.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -66.02 -29.92 70.37 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.506 -0.746 . . . . 1.6699999999999999 109.757 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.526 ' O ' HD23 ' A' ' 22' ' ' LEU . 4.1 mmt -90.47 -22.77 21.22 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.51 -0.744 . . . . 1.9099999999999999 110.021 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.838 ' CD1' HG22 ' A' ' 15' ' ' ILE . 2.0 mp -88.43 -33.45 17.87 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.42 -0.8 . . . . 0.57999999999999996 108.865 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 16' ' ' THR . 57.9 t -78.25 -31.95 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 N-CA-C 109.029 -0.73 . . . . 0.28999999999999998 109.029 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.27 -61.09 1.93 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.539 -0.725 . . . . 2.1499999999999999 109.477 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.932 HD11 ' CG ' ' A' ' 39' ' ' TYR . 4.0 pp -61.92 -32.15 72.52 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.393 -0.817 . . . . 0.72999999999999998 109.202 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' A' ' 19' ' ' LEU . . . -52.51 -43.65 65.22 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.537 -0.727 . . . . 0.20999999999999999 109.527 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -63.0 -36.64 84.22 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.985 -1.117 . . . . 1.6599999999999999 107.985 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.512 ' O ' HG23 ' A' ' 29' ' ' VAL . 45.9 t80 -63.85 -22.57 66.98 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.949 -0.469 . . . . 1.27 109.737 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.555 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 1.4 mm-40 -77.53 -57.6 3.73 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.378 -0.826 . . . . 1.3799999999999999 109.086 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 31.2 tttt -68.02 -39.76 83.08 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.545 -0.722 . . . . 2.0899999999999999 109.543 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -58.29 -26.17 62.69 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.401 -0.812 . . . . 1.25 109.618 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 25' ' ' PHE . 70.3 t -89.41 164.29 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 N-CA-C 108.311 -0.996 . . . . 0.39000000000000001 108.311 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.444 ' N ' HG12 ' A' ' 29' ' ' VAL . 47.9 t -77.27 -70.48 0.47 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.502 -0.749 . . . . 0.72999999999999998 110.97 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -83.77 61.2 6.2 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.388 -0.82 . . . . 1.0700000000000001 110.556 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 26' ' ' GLU . . . -150.81 57.26 0.92 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.317 -0.864 . . . . 0.39000000000000001 109.718 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -103.01 -30.42 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.403 -0.811 . . . . 0.40999999999999998 108.985 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.449 ' CD2' ' CD ' ' A' ' 35' ' ' LYS . 5.0 p-80 -63.63 -47.83 79.77 Favored 'General case' 0 N--CA 1.503 2.187 0 N-CA-C 108.612 -0.885 . . . . 0.44 108.612 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.613 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -70.46 -22.98 62.63 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.621 -0.674 . . . . 1.4199999999999999 109.468 179.076 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 27' ' ' LYS . 27.1 t80 -55.48 -68.24 0.21 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.273 -0.892 . . . . 1.1699999999999999 109.735 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -54.83 -23.63 19.25 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.431 -0.793 . . . . 1.8300000000000001 110.108 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 1.081 ' HB1' HD11 ' A' ' 69' ' ' ILE . . . -54.75 -60.72 2.97 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.349 -0.844 . . . . 0.34000000000000002 109.977 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.932 ' CG ' HD11 ' A' ' 22' ' ' LEU . 49.7 m-85 -85.7 -26.99 25.61 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.561 -0.712 . . . . 1.3999999999999999 109.951 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.08 -41.63 97.24 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.383 -0.823 . . . . 2.3399999999999999 109.346 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -80.41 -45.76 17.13 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.592 -0.693 . . . . 2.3799999999999999 109.621 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.751 ' CB ' HG21 ' A' ' 69' ' ' ILE . . . -62.87 -41.87 99.55 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.499 -0.751 . . . . 0.45000000000000001 109.527 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.16 -30.02 69.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.59 -0.694 . . . . 0.40000000000000002 109.467 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.7 t -66.55 -55.05 17.29 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.613 -0.679 . . . . 1.2 109.897 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.87 HG21 ' HB3' ' A' ' 62' ' ' LEU . 8.5 p -62.54 -44.81 99.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.51 -0.744 . . . . 0.53000000000000003 109.999 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.485 ' N ' HG13 ' A' ' 45' ' ' VAL . 78.6 mt -67.44 -50.96 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.446 -0.784 . . . . 0.55000000000000004 109.664 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.402 ' HB2' ' OG1' ' A' ' 16' ' ' THR . . . -60.25 -21.46 61.89 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.45 -0.781 . . . . 0.46999999999999997 110.17 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -118.12 27.63 8.87 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.329 -0.857 . . . . 2.71 109.697 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.614 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 1.8 t80 -91.52 141.97 26.42 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.503 -0.748 . . . . 1.29 109.143 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.473 ' HD2' ' CD1' ' A' ' 49' ' ' TYR . 42.1 Cg_endo -85.52 5.31 6.19 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 123.0 2.467 . . . . 0.64000000000000001 111.154 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.414 ' CD2' ' HG2' ' A' ' 50' ' ' PRO . 66.9 m-70 -146.66 178.45 8.29 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.235 -0.915 . . . . 0.80000000000000004 109.688 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.48 ' HE2' HD22 ' A' ' 11' ' ' LEU . 30.9 mtmt -104.21 143.71 32.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.588 -0.695 . . . . 3.4300000000000002 109.455 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.55 HG23 ' CB ' ' A' ' 58' ' ' GLU . 44.4 mt -77.99 116.62 21.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.601 -0.687 . . . . 1.1200000000000001 109.302 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -71.11 -63.93 1.01 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.588 -0.695 . . . . 3.1200000000000001 109.54 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.4 m -117.57 178.96 4.2 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.608 -0.682 . . . . 1.48 109.493 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.09 -29.15 71.95 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.718 -1.353 . . . . 0.47999999999999998 109.718 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.3 96.29 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.5 -1.0 . . . . 0.63 109.449 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.55 ' CB ' HG23 ' A' ' 53' ' ' ILE . 5.0 mt-10 -61.82 -20.34 63.54 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.569 -0.707 . . . . 1.8999999999999999 110.023 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.68 ' HB2' HG21 ' A' ' 73' ' ' ILE . . . -89.56 -29.57 18.8 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.296 -0.877 . . . . 0.37 109.501 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.467 ' HE3' HG22 ' A' ' 67' ' ' THR . 9.3 tttt -76.24 -35.84 58.81 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.533 -0.729 . . . . 2.5099999999999998 109.725 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -60.7 -26.42 67.13 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.481 -0.762 . . . . 1.1899999999999999 109.86 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.87 ' HB3' HG21 ' A' ' 45' ' ' VAL . 50.6 mt -60.87 146.94 86.13 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.614 -0.679 . . . . 0.78000000000000003 109.624 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -79.54 114.33 3.23 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 C-N-CA 123.029 2.486 . . . . 0.66000000000000003 110.254 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.77 -26.03 7.37 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.487 -1.445 . . . . 0.78000000000000003 109.487 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.579 HG12 ' HB2' ' A' ' 70' ' ' ALA . 22.2 t -89.73 137.53 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.561 -0.964 . . . . 0.57999999999999996 109.419 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -103.67 -144.29 13.52 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.502 -1.439 . . . . 0.58999999999999997 109.502 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.467 HG22 ' HE3' ' A' ' 60' ' ' LYS . 71.2 p -99.08 -29.37 12.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.587 -0.949 . . . . 1.55 109.594 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -66.42 -64.96 0.74 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.571 -0.706 . . . . 2.9300000000000002 109.579 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 1.081 HD11 ' HB1' ' A' ' 38' ' ' ALA . 50.4 mm -61.79 -43.43 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.595 -0.69 . . . . 0.37 109.743 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.579 ' HB2' HG12 ' A' ' 65' ' ' VAL . . . -59.77 -34.16 72.63 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.554 -0.716 . . . . 0.26000000000000001 109.659 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.0 -42.84 99.21 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.585 -0.697 . . . . 2.21 109.584 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -62.96 -31.15 72.19 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.609 -0.682 . . . . 2.0499999999999998 109.376 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.68 HG21 ' HB2' ' A' ' 59' ' ' ALA . 47.7 mm -64.15 -44.5 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 N-CA-C 109.057 -0.72 . . . . 0.37 109.057 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -55.48 -40.77 72.08 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.521 -0.737 . . . . 1.6499999999999999 109.788 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -63.29 -29.43 70.76 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 109.045 -0.724 . . . . 2.4700000000000002 109.045 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.12 -52.14 26.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.591 -0.693 . . . . 1.3300000000000001 109.303 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.586 HD22 ' N ' ' A' ' 77' ' ' LEU . 3.8 mm? -72.92 -25.75 61.16 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.93 -0.481 . . . . 0.39000000000000001 110.075 -179.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.8 -79.46 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.397 -0.814 . . . . 0.40999999999999998 109.645 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.5 m -102.47 -54.19 2.72 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.443 -0.785 . . . . 1.3700000000000001 109.466 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 120.27 -49.19 0.89 Allowed Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.546 -1.422 . . . . 1.78 109.546 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -79.07 148.03 32.59 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.597 -0.943 . . . . 4.75 109.445 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.4 mt -126.71 90.55 3.18 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.591 -0.693 . . . . 5.0700000000000003 109.497 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -63.43 -179.31 0.33 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.657 -0.652 . . . . 8.1199999999999992 109.461 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -98.54 34.78 1.94 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.586 -0.696 . . . . 8.8399999999999999 109.521 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.6 mp -76.73 108.94 10.1 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.645 -0.659 . . . . 9.4100000000000001 109.491 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -98.65 34.51 2.03 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.563 -0.711 . . . . 11.48 109.469 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 118.014 -0.993 . . . . 15.34 109.473 179.987 . . . . . . . . 0 0 . 1 stop_ save_