data_1itl_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 1itl _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 ' 0' ' ' MET . . . . . 0.401 ' H1 ' ' CA ' ' A' ' 128' ' ' SER . 52.6 mtt . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 119.349 -0.357 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.92 12.49 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 118.506 -1.278 . . . . 0.0 113.371 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -169.1 52.21 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.2 m -32.53 -89.52 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.654 0 N-CA-C 113.02 0.748 . . . . 0.46999999999999997 113.02 179.395 -76.314 -144.65 -112.31 108.051 2.021 102.682 -78.114 153.184 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -92.98 103.73 16.02 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 115.24 -0.891 . . . . 0.69999999999999996 109.497 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 47.4 mm -29.49 -44.96 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 C-N-CA 125.546 1.538 . . . . 0.82999999999999996 114.035 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.3 m -46.29 -47.94 18.19 Favored 'General case' 0 N--CA 1.505 2.275 0 CA-C-N 114.244 -1.344 . . . . 0.82999999999999996 110.703 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.48 HD22 ' H ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -48.24 -68.19 0.21 Allowed 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 113.407 -1.724 . . . . 0.71999999999999997 111.154 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -38.35 -52.5 1.53 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 125.607 1.817 . . . . 0.91000000000000003 112.757 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -61.85 -53.76 51.42 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-N 114.747 -1.115 . . . . 1.0600000000000001 109.665 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.492 ' CD1' HD13 ' A' ' 93' ' ' LEU . 3.4 mt -45.87 -61.61 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 CA-C-N 114.617 -1.174 . . . . 0.75 109.197 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.6 mt -37.97 -67.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 124.804 1.315 . . . . 0.59999999999999998 108.907 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -48.45 -48.61 37.44 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 124.287 0.992 . . . . 1.29 110.725 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.436 ' O ' HD11 ' A' ' 17' ' ' LEU . 58.3 m -56.54 -50.92 70.45 Favored 'General case' 0 N--CA 1.5 2.073 0 CA-C-O 118.147 -0.93 . . . . 0.75 111.41 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.6 -50.97 70.43 Favored 'General case' 0 N--CA 1.513 2.692 0 CA-C-O 123.343 1.544 . . . . 0.46999999999999997 110.961 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -37.02 -58.13 0.79 Allowed 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 111.379 -2.646 . . . . 0.75 110.709 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 t -55.11 -66.01 0.48 Allowed 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 115.692 1.738 . . . . 1.1299999999999999 115.692 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.436 HD11 ' O ' ' A' ' 13' ' ' THR . 1.0 OUTLIER -37.76 -44.96 0.77 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.694 1.246 . . . . 0.84999999999999998 113.634 -179.793 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.7 p -77.69 -52.62 8.68 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-N 114.927 -1.033 . . . . 0.80000000000000004 109.344 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -33.56 -55.03 0.44 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 124.898 1.374 . . . . 1.1100000000000001 110.961 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -115.2 95.12 5.03 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 112.495 -2.139 . . . . 1.21 109.35 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.444 ' HB2' ' HZ1' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -88.56 164.01 15.6 Favored 'General case' 0 N--CA 1.5 2.039 0 CA-C-N 115.009 -0.996 . . . . 1.03 109.453 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 55.5 p -132.49 -155.47 0.69 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-N 115.138 -0.937 . . . . 0.65000000000000002 109.624 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 mp -99.13 0.72 44.08 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 124.946 1.404 . . . . 1.1599999999999999 107.62 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.468 ' C ' ' H ' ' A' ' 26' ' ' GLU . 7.9 m -99.74 -27.02 13.85 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 114.824 -1.08 . . . . 0.53000000000000003 109.647 -179.678 -43.823 -27.524 -102.997 105.5 2.022 107.067 -108.938 -179.329 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.409 ' CA ' ' HB3' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -76.03 11.61 1.4 Allowed 'General case' 0 N--CA 1.503 2.184 0 C-N-CA 118.408 -1.317 . . . . 0.63 107.841 179.337 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.468 ' H ' ' C ' ' A' ' 24' ' ' CYS . 0.5 OUTLIER -112.7 16.02 19.76 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 109.16 -0.681 . . . . 0.81999999999999995 109.16 179.808 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.4 mt -91.07 65.18 5.51 Favored 'General case' 0 N--CA 1.502 2.162 0 CA-C-O 123.624 1.678 . . . . 0.62 107.335 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 p -25.09 117.26 0.05 Allowed 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 109.411 -3.54 . . . . 1.05 116.695 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.576 HG13 ' CD2' ' A' ' 55' ' ' PHE . 13.1 m -114.11 -178.04 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 CA-C-N 110.705 -2.952 . . . . 0.76000000000000001 110.905 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 19.5 m -72.85 130.47 40.51 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 123.991 0.807 . . . . 0.58999999999999997 112.21 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -91.65 62.14 4.4 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 113.346 -1.752 . . . . 0.56999999999999995 107.966 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.465 HD13 ' N ' ' A' ' 33' ' ' PHE . 2.8 pp -41.14 -26.91 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.512 2.63 0 N-CA-C 114.6 1.333 . . . . 0.46000000000000002 114.6 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.465 ' N ' HD13 ' A' ' 32' ' ' ILE . 48.9 m-85 -53.67 -33.08 54.12 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 123.885 0.741 . . . . 1.0900000000000001 110.582 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.66 31.88 1.02 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 124.144 0.902 . . . . 0.5 112.663 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.559 ' HB3' ' CB ' ' A' ' 104' ' ' ALA . . . -149.51 -45.65 0.14 Allowed 'General case' 0 N--CA 1.506 2.342 0 CA-C-O 121.205 0.526 . . . . 0.88 112.016 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.686 ' HG ' ' HG1' ' A' ' 44' ' ' THR . 8.8 t -80.18 14.53 1.86 Allowed 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 114.435 -1.257 . . . . 1.6100000000000001 109.661 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.484 ' H ' ' C ' ' A' ' 35' ' ' ALA . 42.5 mtmt -59.43 -29.61 67.9 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-N 113.555 -1.657 . . . . 1.72 113.393 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -97.03 23.35 7.35 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-N 113.467 -1.697 . . . . 1.9099999999999999 112.306 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -135.7 -162.17 1.24 Allowed 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 107.235 -1.395 . . . . 1.03 107.235 179.717 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.406 ' N ' ' OG1' ' A' ' 39' ' ' THR . 31.5 p -103.55 161.32 13.98 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 113.261 -1.791 . . . . 0.98999999999999999 109.836 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -47.02 -54.01 11.21 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 115.842 -0.617 . . . . 0.91000000000000003 110.158 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -30.51 -48.11 0.1 Allowed 'General case' 0 N--CA 1.499 2.003 0 O-C-N 124.665 1.228 . . . . 0.83999999999999997 113.289 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -75.12 -40.79 59.57 Favored 'General case' 0 N--CA 1.513 2.706 0 CA-C-N 113.332 -1.758 . . . . 0.51000000000000001 113.787 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.686 ' HG1' ' HG ' ' A' ' 36' ' ' SER . 91.3 m -49.7 -46.87 50.55 Favored 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 101.567 -3.494 . . . . 0.70999999999999996 101.567 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.402 ' HA ' ' HB2' ' A' ' 48' ' ' ALA . 12.8 m-85 -69.09 -34.66 75.47 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 109.552 -3.476 . . . . 0.78000000000000003 113.193 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.459 ' HB2' ' CD2' ' A' ' 96' ' ' LEU . 8.4 t -62.26 -47.1 85.83 Favored 'General case' 0 N--CA 1.507 2.395 0 CA-C-O 122.423 1.106 . . . . 0.35999999999999999 109.131 179.782 -162.425 -132.755 87.372 105.202 2.017 104.318 79.8 -73.238 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -72.98 -45.35 58.43 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 105.896 -1.891 . . . . 1.77 105.896 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.402 ' HB2' ' HA ' ' A' ' 45' ' ' PHE . . . -42.77 -64.79 0.56 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 123.954 0.784 . . . . 0.41999999999999998 110.362 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.64 -62.68 1.02 Allowed 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 113.277 -1.783 . . . . 0.45000000000000001 108.538 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -42.13 -62.32 0.96 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 125.027 1.455 . . . . 1.0600000000000001 109.395 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.8 t -45.76 -63.19 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.179 0 CA-C-O 122.668 1.223 . . . . 0.51000000000000001 113.213 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.66 -52.97 60.67 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-N 113.352 -1.749 . . . . 0.59999999999999998 111.468 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.503 ' HA ' ' CE2' ' A' ' 56' ' ' TYR . 19.5 ttm-85 -42.03 -61.2 1.19 Allowed 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.036 -1.098 . . . . 1.03 108.036 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -50.96 -57.03 9.59 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 125.392 1.682 . . . . 0.80000000000000004 108.404 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.576 ' CD2' HG13 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -38.11 -67.53 0.2 Allowed 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 113.478 0.918 . . . . 0.60999999999999999 113.478 -179.823 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.539 ' CD1' ' N ' ' A' ' 57' ' ' SER . 4.3 p90 -63.14 -49.15 75.49 Favored 'General case' 0 N--CA 1.5 2.072 0 C-N-CA 117.491 -1.684 . . . . 0.91000000000000003 113.784 -178.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.539 ' N ' ' CD1' ' A' ' 56' ' ' TYR . 25.0 t -54.54 -39.49 67.75 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 116.518 2.044 . . . . 1.21 116.518 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -84.31 -38.56 20.26 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.446 0.906 . . . . 1.6799999999999999 113.446 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -83.44 -4.4 58.47 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 116.715 2.116 . . . . 0.69999999999999996 116.715 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -44.28 -47.61 9.45 Favored 'General case' 0 N--CA 1.513 2.677 0 CA-C-O 121.983 0.897 . . . . 0.91000000000000003 112.365 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -117.87 56.06 0.86 Allowed 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 112.525 -2.125 . . . . 0.73999999999999999 110.606 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.32 -17.33 26.08 Favored 'General case' 0 N--CA 1.5 2.061 0 CA-C-N 112.379 -2.191 . . . . 1.01 107.616 179.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.519 ' HA ' ' CG ' ' A' ' 66' ' ' LEU . 30.7 p 13.79 50.86 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 111.146 -2.752 . . . . 0.82999999999999996 117.001 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 20.9 mtp-105 -124.89 -52.46 1.67 Allowed 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 111.935 -2.393 . . . . 1.3100000000000001 106.345 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 53.8 t -83.05 -29.51 28.77 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-N 114.402 -1.272 . . . . 1.0600000000000001 109.46 -179.971 -179.329 -108.938 -102.997 107.067 2.022 105.5 -27.524 -43.823 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.519 ' CG ' ' HA ' ' A' ' 63' ' ' THR . 1.1 pp -90.47 18.33 6.34 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-O 121.182 0.515 . . . . 0.66000000000000003 109.984 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.08 68.2 0.55 Allowed Glycine 0 N--CA 1.496 2.699 0 N-CA-C 104.696 -3.362 . . . . 0.95999999999999996 104.696 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' A' ' 72' ' ' GLN . . . -100.85 -51.14 3.63 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 110.974 -2.613 . . . . 0.95999999999999996 108.642 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.461 HG22 ' H ' ' A' ' 70' ' ' ALA . 1.7 t -157.22 -61.33 0.09 Allowed 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 114.086 -1.415 . . . . 1.5 112.015 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.461 ' H ' HG22 ' A' ' 69' ' ' THR . . . -178.41 -52.5 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 106.826 -1.546 . . . . 1.23 106.826 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -58.32 -57.06 14.56 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 115.024 -0.989 . . . . 1.1000000000000001 109.319 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.428 ' HB2' ' HB2' ' A' ' 68' ' ' ALA . 5.0 mm100 -51.24 -50.21 59.61 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 118.974 -0.536 . . . . 0.89000000000000001 109.966 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -40.75 -61.95 0.87 Allowed 'General case' 0 N--CA 1.509 2.503 0 O-C-N 124.904 1.377 . . . . 1.1100000000000001 108.969 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.34 -43.77 83.69 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 112.881 -1.963 . . . . 0.96999999999999997 111.907 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.9 ttp180 -63.19 -47.04 84.3 Favored 'General case' 0 N--CA 1.504 2.237 0 C-N-CA 119.196 -1.002 . . . . 1.3300000000000001 112.879 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -54.11 -47.16 72.11 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 109.012 -0.736 . . . . 1.04 109.012 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -49.82 -52.1 34.87 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.413 -0.958 . . . . 1.79 108.413 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -52.44 -50.53 62.41 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 119.885 -0.726 . . . . 0.85999999999999999 109.66 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.7 mp -48.98 -58.88 4.17 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-O 118.562 -0.732 . . . . 0.56000000000000005 109.631 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 18.8 mm -43.95 -54.85 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.449 0 CA-C-N 118.105 0.412 . . . . 0.52000000000000002 110.336 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.5 mtt180 -48.61 -58.5 4.62 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 124.264 0.978 . . . . 0.76000000000000001 109.764 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.428 ' N ' ' CD1' ' A' ' 82' ' ' PHE . 7.2 m-30 -55.54 -46.8 77.05 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 123.98 0.8 . . . . 1.46 111.204 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.5 mt -51.48 -56.48 13.09 Favored 'General case' 0 N--CA 1.502 2.159 0 N-CA-C 107.938 -1.134 . . . . 0.65000000000000002 107.938 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -58.3 -53.58 56.71 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 119.948 -0.701 . . . . 0.81000000000000005 109.652 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -43.57 -50.28 7.29 Favored 'General case' 0 N--CA 1.498 1.965 0 C-N-CA 123.762 0.825 . . . . 1.0900000000000001 111.92 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.3 -55.64 11.41 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 106.907 -1.516 . . . . 0.48999999999999999 106.907 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -40.4 -55.38 2.26 Favored 'General case' 0 N--CA 1.51 2.543 0 CA-C-N 119.182 0.901 . . . . 0.64000000000000001 111.883 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -46.18 -61.74 1.64 Allowed 'General case' 0 N--CA 1.502 2.151 0 CA-C-N 114.862 -1.063 . . . . 0.89000000000000001 108.973 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -56.81 -50.16 73.2 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 114.034 -1.439 . . . . 0.88 111.501 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -34.33 -55.7 0.52 Allowed 'General case' 0 N--CA 1.505 2.311 0 O-C-N 124.4 1.062 . . . . 0.56999999999999995 111.126 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 26.4 t90 -35.78 -49.81 0.61 Allowed 'General case' 0 N--CA 1.503 2.2 0 CA-C-N 113.417 -1.72 . . . . 0.0 111.602 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -48.13 -61.33 5.0 Favored Glycine 0 N--CA 1.498 2.812 0 CA-C-N 114.371 -1.286 . . . . 0.56000000000000005 110.724 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.512 HD11 ' H ' ' A' ' 93' ' ' LEU . 4.3 mp -53.59 -53.3 53.72 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-N 114.109 -1.046 . . . . 0.53000000000000003 109.907 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -40.88 -60.44 1.18 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 125.316 1.635 . . . . 0.62 109.169 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 98.65 -28.94 12.68 Favored Glycine 0 N--CA 1.499 2.839 0 C-N-CA 119.357 -1.401 . . . . 0.67000000000000004 113.637 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.459 ' CD2' ' HB2' ' A' ' 46' ' ' CYS . 0.3 OUTLIER -94.59 -130.77 0.15 Allowed 'General case' 0 N--CA 1.493 1.711 0 CA-C-O 117.144 -1.408 . . . . 0.72999999999999998 110.267 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -148.01 -55.73 0.22 Allowed 'General case' 0 N--CA 1.499 2.023 0 CA-C-N 121.24 1.837 . . . . 0.88 112.756 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.7 t -164.75 159.04 18.24 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 107.998 -1.112 . . . . 1.27 107.998 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 64.0 m -149.19 156.14 39.99 Favored Pre-proline 0 N--CA 1.498 1.964 0 CA-C-N 115.729 -0.669 . . . . 0.59999999999999998 109.426 179.73 -73.238 79.8 87.372 104.318 2.017 105.202 -132.755 -162.425 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -62.12 165.19 15.16 Favored 'Trans proline' 0 C--N 1.318 -1.042 0 N-CA-C 108.266 -1.475 . . . . 1.1299999999999999 108.266 173.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.1 p -118.04 127.15 75.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 C-N-CA 120.021 -0.671 . . . . 0.82999999999999996 109.397 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -125.19 92.53 3.65 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 114.199 -1.364 . . . . 1.52 108.553 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -31.5 137.14 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.037 0 O-C-N 125.156 1.535 . . . . 0.95999999999999996 113.02 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.559 ' CB ' ' HB3' ' A' ' 35' ' ' ALA . . . -145.44 60.57 1.28 Allowed 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 115.095 -0.957 . . . . 0.48999999999999999 109.001 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.7 m120 85.04 169.84 0.08 Allowed 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 104.985 -2.228 . . . . 0.64000000000000001 104.985 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -114.2 152.01 31.88 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 115.784 1.772 . . . . 0.70999999999999996 115.784 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.9 t -125.07 130.97 53.35 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 110.057 -3.247 . . . . 0.91000000000000003 110.805 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 110' ' ' GLU . 11.6 p -86.21 93.52 9.07 Favored 'General case' 0 N--CA 1.501 2.088 0 N-CA-C 103.168 -2.901 . . . . 0.55000000000000004 103.168 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.519 HD23 ' CZ ' ' A' ' 55' ' ' PHE . 21.9 tp 1.58 -60.45 0.0 OUTLIER 'General case' 0 N--CA 1.527 3.419 0 O-C-N 126.11 2.131 . . . . 0.55000000000000004 114.85 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 108' ' ' THR . 13.4 tt0 -38.46 -54.21 1.49 Allowed 'General case' 0 N--CA 1.509 2.51 0 CA-C-N 119.531 1.059 . . . . 0.56999999999999995 109.911 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -59.28 -59.23 5.79 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 113.592 -1.64 . . . . 1.1899999999999999 109.651 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -40.74 -55.73 2.34 Favored 'General case' 0 N--CA 1.506 2.36 0 CA-C-O 122.087 0.946 . . . . 1.02 109.197 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 80.0 mt -56.57 -60.66 3.21 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 113.315 -1.766 . . . . 0.64000000000000001 108.361 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -36.8 -53.26 0.93 Allowed 'General case' 0 N--CA 1.506 2.347 0 O-C-N 123.666 0.604 . . . . 0.81000000000000005 112.047 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 55.8 mtt-85 -60.16 -58.67 7.55 Favored 'General case' 0 N--CA 1.501 2.09 0 CA-C-N 114.733 -1.121 . . . . 0.80000000000000004 109.375 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.1 tp -43.64 -54.18 5.19 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 124.528 1.143 . . . . 0.73999999999999999 110.427 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.08 -62.86 1.37 Allowed 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 113.965 -1.471 . . . . 0.65000000000000002 109.282 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 71.4 m -42.5 -56.36 3.09 Favored 'General case' 0 N--CA 1.5 2.033 0 CA-C-N 115.267 -0.879 . . . . 0.71999999999999997 109.915 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 35.6 mt -46.56 -65.3 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 124.49 1.119 . . . . 0.66000000000000003 109.565 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.438 ' SD ' HG23 ' A' ' 10' ' ' ILE . 28.0 mmt -40.56 -56.07 2.17 Favored 'General case' 0 N--CA 1.498 1.97 0 CA-C-N 114.108 -1.406 . . . . 1.24 110.271 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.8 mtp85 -53.92 -55.81 23.47 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-N 113.641 -1.618 . . . . 1.6100000000000001 112.687 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -37.36 -49.84 1.01 Allowed 'General case' 0 N--CA 1.503 2.203 0 O-C-N 124.65 1.219 . . . . 0.96999999999999997 110.172 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -75.53 -53.5 8.54 Favored 'General case' 0 N--CA 1.497 1.915 0 CA-C-N 113.803 -1.544 . . . . 1.03 108.916 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -33.66 -59.77 0.39 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 124.666 1.229 . . . . 1.1599999999999999 113.682 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 48.8 m -91.76 29.77 1.49 Allowed 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 115.034 1.494 . . . . 0.83999999999999997 115.034 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -134.4 -52.62 0.82 Allowed 'General case' 0 N--CA 1.5 2.063 0 CA-C-O 120.922 0.391 . . . . 1.3500000000000001 110.12 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -31.62 72.89 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 114.444 -1.253 . . . . 0.84999999999999998 107.656 179.845 153.184 -78.114 -112.31 102.682 2.021 108.051 -144.65 -76.314 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.401 ' CA ' ' H1 ' ' A' ' 0' ' ' MET . 64.6 m -78.54 -87.78 0.06 Allowed 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 113.086 -1.87 . . . . 1.3100000000000001 109.245 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 63.1 p . . . . . 0 N--CA 1.496 1.872 0 CA-C-O 117.173 -1.394 . . . . 1.77 110.838 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 52.6 mtt . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 119.349 -0.357 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.92 12.49 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 118.506 -1.278 . . . . 0.0 113.371 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.409 ' HE2' ' CD1' ' A' ' 5' ' ' ILE . 83.9 tttt -169.1 52.21 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.2 m -32.53 -89.52 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.654 0 N-CA-C 113.02 0.748 . . . . 0.42999999999999999 113.02 179.395 -76.314 -144.65 -112.31 108.051 2.021 102.682 -78.114 153.184 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -92.98 103.73 16.02 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 115.24 -0.891 . . . . 0.69999999999999996 109.497 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.409 ' CD1' ' HE2' ' A' ' 2' ' ' LYS . 47.4 mm -29.49 -44.96 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 C-N-CA 125.546 1.538 . . . . 0.69999999999999996 114.035 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.3 m -46.29 -47.94 18.19 Favored 'General case' 0 N--CA 1.505 2.275 0 CA-C-N 114.244 -1.344 . . . . 0.54000000000000004 110.703 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.636 HD23 ' H ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -48.24 -68.19 0.21 Allowed 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 113.407 -1.724 . . . . 0.54000000000000004 111.154 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.401 ' CB ' ' HE3' ' A' ' 2' ' ' LYS . 5.4 tt0 -38.35 -52.5 1.53 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 125.607 1.817 . . . . 0.75 112.757 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -61.85 -53.76 51.42 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-N 114.747 -1.115 . . . . 1.0600000000000001 109.665 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.572 ' CD1' HD11 ' A' ' 93' ' ' LEU . 3.4 mt -45.87 -61.61 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 CA-C-N 114.617 -1.174 . . . . 0.56000000000000005 109.197 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.6 mt -37.97 -67.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 124.804 1.315 . . . . 0.48999999999999999 108.907 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 8.2 mtpm? -48.45 -48.61 37.44 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 124.287 0.992 . . . . 1.0900000000000001 110.725 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.576 ' O ' HD12 ' A' ' 17' ' ' LEU . 58.3 m -56.54 -50.92 70.45 Favored 'General case' 0 N--CA 1.5 2.073 0 CA-C-O 118.147 -0.93 . . . . 0.46999999999999997 111.41 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.6 -50.97 70.43 Favored 'General case' 0 N--CA 1.513 2.692 0 CA-C-O 123.343 1.544 . . . . 0.39000000000000001 110.961 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 13.6 m-20 -37.02 -58.13 0.79 Allowed 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 111.379 -2.646 . . . . 0.75 110.709 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 t -55.11 -66.01 0.48 Allowed 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 115.692 1.738 . . . . 0.68000000000000005 115.692 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 13' ' ' THR . 1.0 OUTLIER -37.76 -44.96 0.77 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.694 1.246 . . . . 0.56999999999999995 113.634 -179.793 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.7 p -77.69 -52.62 8.68 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-N 114.927 -1.033 . . . . 0.45000000000000001 109.344 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -33.56 -55.03 0.44 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 124.898 1.374 . . . . 1.1100000000000001 110.961 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -115.2 95.12 5.03 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 112.495 -2.139 . . . . 1.0 109.35 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.56 164.01 15.6 Favored 'General case' 0 N--CA 1.5 2.039 0 CA-C-N 115.009 -0.996 . . . . 0.88 109.453 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.408 HG22 ' HE ' ' A' ' 75' ' ' ARG . 55.5 p -132.49 -155.47 0.69 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-N 115.138 -0.937 . . . . 0.63 109.624 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.423 HD12 ' H ' ' A' ' 23' ' ' LEU . 1.2 mp -99.13 0.72 44.08 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 124.946 1.404 . . . . 0.94999999999999996 107.62 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.441 ' C ' ' H ' ' A' ' 26' ' ' GLU . 7.9 m -99.74 -27.02 13.85 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 114.824 -1.08 . . . . 0.53000000000000003 109.647 -179.678 -43.823 -27.524 -102.997 105.5 2.022 107.067 -108.938 -179.329 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.447 ' CA ' ' HB3' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -76.03 11.61 1.4 Allowed 'General case' 0 N--CA 1.503 2.184 0 C-N-CA 118.408 -1.317 . . . . 0.5 107.841 179.337 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.441 ' H ' ' C ' ' A' ' 24' ' ' CYS . 0.5 OUTLIER -112.7 16.02 19.76 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 109.16 -0.681 . . . . 0.81999999999999995 109.16 179.808 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.4 mt -91.07 65.18 5.51 Favored 'General case' 0 N--CA 1.502 2.162 0 CA-C-O 123.624 1.678 . . . . 0.53000000000000003 107.335 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.503 HG22 HG22 ' A' ' 108' ' ' THR . 19.1 p -25.09 117.26 0.05 Allowed 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 109.411 -3.54 . . . . 0.56000000000000005 116.695 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.65 HG11 ' CD2' ' A' ' 55' ' ' PHE . 13.1 m -114.11 -178.04 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 CA-C-N 110.705 -2.952 . . . . 0.54000000000000004 110.905 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.431 HG23 ' HA ' ' A' ' 103' ' ' GLU . 19.5 m -72.85 130.47 40.51 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 123.991 0.807 . . . . 0.46999999999999997 112.21 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -91.65 62.14 4.4 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 113.346 -1.752 . . . . 0.56999999999999995 107.966 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.506 HD12 ' N ' ' A' ' 33' ' ' PHE . 2.8 pp -41.14 -26.91 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.512 2.63 0 N-CA-C 114.6 1.333 . . . . 0.34999999999999998 114.6 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.506 ' N ' HD12 ' A' ' 32' ' ' ILE . 48.9 m-85 -53.67 -33.08 54.12 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 123.885 0.741 . . . . 0.71999999999999997 110.582 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' A' ' 37' ' ' LYS . . . -90.66 31.88 1.02 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 124.144 0.902 . . . . 0.5 112.663 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.61 ' HB2' ' CB ' ' A' ' 104' ' ' ALA . . . -149.51 -45.65 0.14 Allowed 'General case' 0 N--CA 1.506 2.342 0 CA-C-O 121.205 0.526 . . . . 0.88 112.016 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.8 t -80.18 14.53 1.86 Allowed 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 114.435 -1.257 . . . . 1.3100000000000001 109.661 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.447 ' H ' ' C ' ' A' ' 35' ' ' ALA . 42.5 mtmt -59.43 -29.61 67.9 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-N 113.555 -1.657 . . . . 1.45 113.393 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -97.03 23.35 7.35 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-N 113.467 -1.697 . . . . 1.9099999999999999 112.306 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -135.7 -162.17 1.24 Allowed 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 107.235 -1.395 . . . . 0.76000000000000001 107.235 179.717 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.406 ' N ' ' OG1' ' A' ' 39' ' ' THR . 31.5 p -103.55 161.32 13.98 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 113.261 -1.791 . . . . 0.84999999999999998 109.836 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -47.02 -54.01 11.21 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 115.842 -0.617 . . . . 0.89000000000000001 110.158 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -30.51 -48.11 0.1 Allowed 'General case' 0 N--CA 1.499 2.003 0 O-C-N 124.665 1.228 . . . . 0.68999999999999995 113.289 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' HB2' ' OG1' ' A' ' 39' ' ' THR . 36.9 mt-10 -75.12 -40.79 59.57 Favored 'General case' 0 N--CA 1.513 2.706 0 CA-C-N 113.332 -1.758 . . . . 0.51000000000000001 113.787 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 91.3 m -49.7 -46.87 50.55 Favored 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 101.567 -3.494 . . . . 0.46999999999999997 101.567 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.539 ' HA ' ' HB3' ' A' ' 48' ' ' ALA . 12.8 m-85 -69.09 -34.66 75.47 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 109.552 -3.476 . . . . 0.54000000000000004 113.193 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.481 ' HB2' ' CD2' ' A' ' 96' ' ' LEU . 8.4 t -62.26 -47.1 85.83 Favored 'General case' 0 N--CA 1.507 2.395 0 CA-C-O 122.423 1.106 . . . . 0.34999999999999998 109.131 179.782 -162.425 -132.755 87.372 105.202 2.017 104.318 79.8 -73.238 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -72.98 -45.35 58.43 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 105.896 -1.891 . . . . 1.48 105.896 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.539 ' HB3' ' HA ' ' A' ' 45' ' ' PHE . . . -42.77 -64.79 0.56 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 123.954 0.784 . . . . 0.37 110.362 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.64 -62.68 1.02 Allowed 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 113.277 -1.783 . . . . 0.40999999999999998 108.538 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -42.13 -62.32 0.96 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 125.027 1.455 . . . . 0.55000000000000004 109.395 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.8 t -45.76 -63.19 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.179 0 CA-C-O 122.668 1.223 . . . . 0.42999999999999999 113.213 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.446 HD12 ' HB2' ' A' ' 87' ' ' ASP . 1.0 OUTLIER -54.66 -52.97 60.67 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-N 113.352 -1.749 . . . . 0.47999999999999998 111.468 -179.691 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' A' ' 56' ' ' TYR . 19.5 ttm-85 -42.03 -61.2 1.19 Allowed 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.036 -1.098 . . . . 0.85999999999999999 108.036 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -50.96 -57.03 9.59 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 125.392 1.682 . . . . 0.79000000000000004 108.404 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.65 ' CD2' HG11 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -38.11 -67.53 0.2 Allowed 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 113.478 0.918 . . . . 0.5 113.478 -179.823 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.539 ' CD1' ' N ' ' A' ' 57' ' ' SER . 4.3 p90 -63.14 -49.15 75.49 Favored 'General case' 0 N--CA 1.5 2.072 0 C-N-CA 117.491 -1.684 . . . . 0.63 113.784 -178.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.539 ' N ' ' CD1' ' A' ' 56' ' ' TYR . 25.0 t -54.54 -39.49 67.75 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 116.518 2.044 . . . . 1.21 116.518 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -84.31 -38.56 20.26 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.446 0.906 . . . . 1.27 113.446 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -83.44 -4.4 58.47 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 116.715 2.116 . . . . 0.55000000000000004 116.715 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -44.28 -47.61 9.45 Favored 'General case' 0 N--CA 1.513 2.677 0 CA-C-O 121.983 0.897 . . . . 0.91000000000000003 112.365 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -117.87 56.06 0.86 Allowed 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 112.525 -2.125 . . . . 0.63 110.606 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.32 -17.33 26.08 Favored 'General case' 0 N--CA 1.5 2.061 0 CA-C-N 112.379 -2.191 . . . . 1.01 107.616 179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.621 ' HA ' ' HG ' ' A' ' 66' ' ' LEU . 30.7 p 13.79 50.86 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 111.146 -2.752 . . . . 0.57999999999999996 117.001 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 20.9 mtp-105 -124.89 -52.46 1.67 Allowed 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 111.935 -2.393 . . . . 1.1699999999999999 106.345 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 53.8 t -83.05 -29.51 28.77 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-N 114.402 -1.272 . . . . 0.75 109.46 -179.971 -179.329 -108.938 -102.997 107.067 2.022 105.5 -27.524 -43.823 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.621 ' HG ' ' HA ' ' A' ' 63' ' ' THR . 1.1 pp -90.47 18.33 6.34 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-O 121.182 0.515 . . . . 0.66000000000000003 109.984 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.08 68.2 0.55 Allowed Glycine 0 N--CA 1.496 2.699 0 N-CA-C 104.696 -3.362 . . . . 0.95999999999999996 104.696 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.53 ' HB3' ' HB2' ' A' ' 72' ' ' GLN . . . -100.85 -51.14 3.63 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 110.974 -2.613 . . . . 0.95999999999999996 108.642 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.568 HG23 ' H ' ' A' ' 70' ' ' ALA . 1.7 t -157.22 -61.33 0.09 Allowed 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 114.086 -1.415 . . . . 1.05 112.015 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.568 ' H ' HG23 ' A' ' 69' ' ' THR . . . -178.41 -52.5 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 106.826 -1.546 . . . . 1.0700000000000001 106.826 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -58.32 -57.06 14.56 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 115.024 -0.989 . . . . 0.91000000000000003 109.319 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.53 ' HB2' ' HB3' ' A' ' 68' ' ' ALA . 58.1 mm-40 -51.24 -50.21 59.61 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 118.974 -0.536 . . . . 0.76000000000000001 109.966 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -40.75 -61.95 0.87 Allowed 'General case' 0 N--CA 1.509 2.503 0 O-C-N 124.904 1.377 . . . . 0.93000000000000005 108.969 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.34 -43.77 83.69 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 112.881 -1.963 . . . . 0.66000000000000003 111.907 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.408 ' HE ' HG22 ' A' ' 22' ' ' THR . 25.9 ttp180 -63.19 -47.04 84.3 Favored 'General case' 0 N--CA 1.504 2.237 0 C-N-CA 119.196 -1.002 . . . . 1.0700000000000001 112.879 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -54.11 -47.16 72.11 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 109.012 -0.736 . . . . 0.83999999999999997 109.012 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -49.82 -52.1 34.87 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.413 -0.958 . . . . 1.4199999999999999 108.413 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -52.44 -50.53 62.41 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 119.885 -0.726 . . . . 0.83999999999999997 109.66 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.7 mp -48.98 -58.88 4.17 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-O 118.562 -0.732 . . . . 0.45000000000000001 109.631 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 18.8 mm -43.95 -54.85 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.449 0 CA-C-N 118.105 0.412 . . . . 0.41999999999999998 110.336 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.5 mtt180 -48.61 -58.5 4.62 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 124.264 0.978 . . . . 0.60999999999999999 109.764 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.502 ' HB2' HD21 ' A' ' 17' ' ' LEU . 7.2 m-30 -55.54 -46.8 77.05 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 123.98 0.8 . . . . 1.1100000000000001 111.204 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.5 mt -51.48 -56.48 13.09 Favored 'General case' 0 N--CA 1.502 2.159 0 N-CA-C 107.938 -1.134 . . . . 0.54000000000000004 107.938 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -58.3 -53.58 56.71 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 119.948 -0.701 . . . . 0.67000000000000004 109.652 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -43.57 -50.28 7.29 Favored 'General case' 0 N--CA 1.498 1.965 0 C-N-CA 123.762 0.825 . . . . 0.93000000000000005 111.92 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.3 -55.64 11.41 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 106.907 -1.516 . . . . 0.40000000000000002 106.907 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.446 ' HB2' HD12 ' A' ' 52' ' ' LEU . 13.2 t70 -40.4 -55.38 2.26 Favored 'General case' 0 N--CA 1.51 2.543 0 CA-C-N 119.182 0.901 . . . . 0.64000000000000001 111.883 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -46.18 -61.74 1.64 Allowed 'General case' 0 N--CA 1.502 2.151 0 CA-C-N 114.862 -1.063 . . . . 0.64000000000000001 108.973 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -56.81 -50.16 73.2 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 114.034 -1.439 . . . . 0.79000000000000004 111.501 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.444 ' HA ' HD13 ' A' ' 93' ' ' LEU . 0.6 OUTLIER -34.33 -55.7 0.52 Allowed 'General case' 0 N--CA 1.505 2.311 0 O-C-N 124.4 1.062 . . . . 0.42999999999999999 111.126 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.416 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 26.4 t90 -35.78 -49.81 0.61 Allowed 'General case' 0 N--CA 1.503 2.2 0 CA-C-N 113.417 -1.72 . . . . 0.0 111.602 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -48.13 -61.33 5.0 Favored Glycine 0 N--CA 1.498 2.812 0 CA-C-N 114.371 -1.286 . . . . 0.54000000000000004 110.724 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.704 ' H ' HD12 ' A' ' 93' ' ' LEU . 4.3 mp -53.59 -53.3 53.72 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-N 114.109 -1.046 . . . . 0.52000000000000002 109.907 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 91' ' ' TRP . . . -40.88 -60.44 1.18 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 125.316 1.635 . . . . 0.62 109.169 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 98.65 -28.94 12.68 Favored Glycine 0 N--CA 1.499 2.839 0 C-N-CA 119.357 -1.401 . . . . 0.67000000000000004 113.637 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.481 ' CD2' ' HB2' ' A' ' 46' ' ' CYS . 0.3 OUTLIER -94.59 -130.77 0.15 Allowed 'General case' 0 N--CA 1.493 1.711 0 CA-C-O 117.144 -1.408 . . . . 0.67000000000000004 110.267 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -148.01 -55.73 0.22 Allowed 'General case' 0 N--CA 1.499 2.023 0 CA-C-N 121.24 1.837 . . . . 0.83999999999999997 112.756 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.7 t -164.75 159.04 18.24 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 107.998 -1.112 . . . . 0.87 107.998 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 64.0 m -149.19 156.14 39.99 Favored Pre-proline 0 N--CA 1.498 1.964 0 CA-C-N 115.729 -0.669 . . . . 0.59999999999999998 109.426 179.73 -73.238 79.8 87.372 104.318 2.017 105.202 -132.755 -162.425 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -62.12 165.19 15.16 Favored 'Trans proline' 0 C--N 1.318 -1.042 0 N-CA-C 108.266 -1.475 . . . . 0.87 108.266 173.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.1 p -118.04 127.15 75.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 C-N-CA 120.021 -0.671 . . . . 0.68999999999999995 109.397 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -125.19 92.53 3.65 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 114.199 -1.364 . . . . 1.27 108.553 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.431 ' HA ' HG23 ' A' ' 30' ' ' THR . 2.1 pp20? -31.5 137.14 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.037 0 O-C-N 125.156 1.535 . . . . 0.95999999999999996 113.02 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.61 ' CB ' ' HB2' ' A' ' 35' ' ' ALA . . . -145.44 60.57 1.28 Allowed 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 115.095 -0.957 . . . . 0.48999999999999999 109.001 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 85.04 169.84 0.08 Allowed 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 104.985 -2.228 . . . . 0.60999999999999999 104.985 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -114.2 152.01 31.88 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 115.784 1.772 . . . . 0.60999999999999999 115.784 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.9 t -125.07 130.97 53.35 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 110.057 -3.247 . . . . 0.58999999999999997 110.805 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.503 HG22 HG22 ' A' ' 28' ' ' THR . 11.6 p -86.21 93.52 9.07 Favored 'General case' 0 N--CA 1.501 2.088 0 N-CA-C 103.168 -2.901 . . . . 0.39000000000000001 103.168 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.542 HD22 ' CZ ' ' A' ' 55' ' ' PHE . 21.9 tp 1.58 -60.45 0.0 OUTLIER 'General case' 0 N--CA 1.527 3.419 0 O-C-N 126.11 2.131 . . . . 0.39000000000000001 114.85 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 108' ' ' THR . 13.4 tt0 -38.46 -54.21 1.49 Allowed 'General case' 0 N--CA 1.509 2.51 0 CA-C-N 119.531 1.059 . . . . 0.56999999999999995 109.911 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -59.28 -59.23 5.79 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 113.592 -1.64 . . . . 0.92000000000000004 109.651 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -40.74 -55.73 2.34 Favored 'General case' 0 N--CA 1.506 2.36 0 CA-C-O 122.087 0.946 . . . . 0.79000000000000004 109.197 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 80.0 mt -56.57 -60.66 3.21 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 113.315 -1.766 . . . . 0.5 108.361 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -36.8 -53.26 0.93 Allowed 'General case' 0 N--CA 1.506 2.347 0 O-C-N 123.666 0.604 . . . . 0.81000000000000005 112.047 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 55.8 mtt-85 -60.16 -58.67 7.55 Favored 'General case' 0 N--CA 1.501 2.09 0 CA-C-N 114.733 -1.121 . . . . 0.60999999999999999 109.375 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.1 tp -43.64 -54.18 5.19 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 124.528 1.143 . . . . 0.60999999999999999 110.427 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.08 -62.86 1.37 Allowed 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 113.965 -1.471 . . . . 0.48999999999999999 109.282 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 71.4 m -42.5 -56.36 3.09 Favored 'General case' 0 N--CA 1.5 2.033 0 CA-C-N 115.267 -0.879 . . . . 0.45000000000000001 109.915 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 35.6 mt -46.56 -65.3 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 124.49 1.119 . . . . 0.53000000000000003 109.565 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.437 ' SD ' HG21 ' A' ' 10' ' ' ILE . 28.0 mmt -40.56 -56.07 2.17 Favored 'General case' 0 N--CA 1.498 1.97 0 CA-C-N 114.108 -1.406 . . . . 0.68999999999999995 110.271 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.8 mtp85 -53.92 -55.81 23.47 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-N 113.641 -1.618 . . . . 1.1399999999999999 112.687 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -37.36 -49.84 1.01 Allowed 'General case' 0 N--CA 1.503 2.203 0 O-C-N 124.65 1.219 . . . . 0.96999999999999997 110.172 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -75.53 -53.5 8.54 Favored 'General case' 0 N--CA 1.497 1.915 0 CA-C-N 113.803 -1.544 . . . . 0.77000000000000002 108.916 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -33.66 -59.77 0.39 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 124.666 1.229 . . . . 0.94999999999999996 113.682 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 48.8 m -91.76 29.77 1.49 Allowed 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 115.034 1.494 . . . . 0.66000000000000003 115.034 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -134.4 -52.62 0.82 Allowed 'General case' 0 N--CA 1.5 2.063 0 CA-C-O 120.922 0.391 . . . . 1.1000000000000001 110.12 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -31.62 72.89 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 114.444 -1.253 . . . . 0.84999999999999998 107.656 179.845 153.184 -78.114 -112.31 102.682 2.021 108.051 -144.65 -76.314 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 64.6 m -78.54 -87.78 0.06 Allowed 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 113.086 -1.87 . . . . 1.1299999999999999 109.245 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 63.1 p . . . . . 0 N--CA 1.496 1.872 0 CA-C-O 117.173 -1.394 . . . . 1.6100000000000001 110.838 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 52.6 mtt . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 119.349 -0.357 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.92 12.49 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 118.506 -1.278 . . . . 0.0 113.371 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.409 ' HE2' ' CD1' ' A' ' 5' ' ' ILE . 83.9 tttt -169.1 52.21 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.2 m -32.53 -89.52 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.654 0 N-CA-C 113.02 0.748 . . . . 0.43 113.02 179.395 -76.314 -144.65 -112.31 108.051 2.021 102.682 -78.114 153.184 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -92.98 103.73 16.02 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 115.24 -0.891 . . . . 0.7 109.497 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.409 ' CD1' ' HE2' ' A' ' 2' ' ' LYS . 47.4 mm -29.49 -44.96 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 C-N-CA 125.546 1.538 . . . . 0.7 114.035 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.3 m -46.29 -47.94 18.19 Favored 'General case' 0 N--CA 1.505 2.275 0 CA-C-N 114.244 -1.344 . . . . 0.54 110.703 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.636 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -48.24 -68.19 0.21 Allowed 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 113.407 -1.724 . . . . 0.54 111.154 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.401 ' CB ' ' HE3' ' A' ' 2' ' ' LYS . 5.4 tt0 -38.35 -52.5 1.53 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 125.607 1.817 . . . . 0.75 112.757 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -61.85 -53.76 51.42 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-N 114.747 -1.115 . . . . 1.06 109.665 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.572 ' CD1' HD11 ' A' ' 93' ' ' LEU . 3.4 mt -45.87 -61.61 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 CA-C-N 114.617 -1.174 . . . . 0.56 109.197 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.6 mt -37.97 -67.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 124.804 1.315 . . . . 0.49 108.907 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 8.2 mtpm? -48.45 -48.61 37.44 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 124.287 0.992 . . . . 1.09 110.725 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.576 ' O ' HD12 ' A' ' 17' ' ' LEU . 58.3 m -56.54 -50.92 70.45 Favored 'General case' 0 N--CA 1.5 2.073 0 CA-C-O 118.147 -0.93 . . . . 0.47 111.41 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.6 -50.97 70.43 Favored 'General case' 0 N--CA 1.513 2.692 0 CA-C-O 123.343 1.544 . . . . 0.39 110.961 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 1.3 m120 -37.02 -58.13 0.79 Allowed 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 111.379 -2.646 . . . . 0.75 110.709 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 t -55.11 -66.01 0.48 Allowed 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 115.692 1.738 . . . . 0.68 115.692 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 13' ' ' THR . 1.0 OUTLIER -37.76 -44.96 0.77 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.694 1.246 . . . . 0.57 113.634 -179.793 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.7 p -77.69 -52.62 8.68 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-N 114.927 -1.033 . . . . 0.45 109.344 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -33.56 -55.03 0.44 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 124.898 1.374 . . . . 1.11 110.961 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -115.2 95.12 5.03 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 112.495 -2.139 . . . . 1.0 109.35 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.56 164.01 15.6 Favored 'General case' 0 N--CA 1.5 2.039 0 CA-C-N 115.009 -0.996 . . . . 0.88 109.453 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.408 HG22 ' HE ' ' A' ' 75' ' ' ARG . 55.5 p -132.49 -155.47 0.69 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-N 115.138 -0.937 . . . . 0.63 109.624 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.423 HD12 ' H ' ' A' ' 23' ' ' LEU . 1.2 mp -99.13 0.72 44.08 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 124.946 1.404 . . . . 0.95 107.62 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.441 ' C ' ' H ' ' A' ' 26' ' ' GLU . 7.9 m -99.74 -27.02 13.85 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 114.824 -1.08 . . . . 0.53 109.647 -179.678 -43.823 -27.524 -102.997 105.5 2.022 107.067 -108.938 -179.329 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.447 ' CA ' ' HB3' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -76.03 11.61 1.4 Allowed 'General case' 0 N--CA 1.503 2.184 0 C-N-CA 118.408 -1.317 . . . . 0.5 107.841 179.337 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.441 ' H ' ' C ' ' A' ' 24' ' ' CYS . 0.5 OUTLIER -112.7 16.02 19.76 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 109.16 -0.681 . . . . 0.82 109.16 179.808 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.4 mt -91.07 65.18 5.51 Favored 'General case' 0 N--CA 1.502 2.162 0 CA-C-O 123.624 1.678 . . . . 0.53 107.335 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.503 HG22 HG22 ' A' ' 108' ' ' THR . 19.1 p -25.09 117.26 0.05 Allowed 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 109.411 -3.54 . . . . 0.56 116.695 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.65 HG11 ' CD2' ' A' ' 55' ' ' PHE . 13.1 m -114.11 -178.04 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 CA-C-N 110.705 -2.952 . . . . 0.54 110.905 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.431 HG23 ' HA ' ' A' ' 103' ' ' GLU . 19.5 m -72.85 130.47 40.51 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 123.991 0.807 . . . . 0.47 112.21 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -91.65 62.14 4.4 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 113.346 -1.752 . . . . 0.57 107.966 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.506 HD12 ' N ' ' A' ' 33' ' ' PHE . 2.8 pp -41.14 -26.91 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.512 2.63 0 N-CA-C 114.6 1.333 . . . . 0.35 114.6 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.506 ' N ' HD12 ' A' ' 32' ' ' ILE . 48.9 m-85 -53.67 -33.08 54.12 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 123.885 0.741 . . . . 0.72 110.582 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' A' ' 37' ' ' LYS . . . -90.66 31.88 1.02 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 124.144 0.902 . . . . 0.5 112.663 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.61 ' HB2' ' CB ' ' A' ' 104' ' ' ALA . . . -149.51 -45.65 0.14 Allowed 'General case' 0 N--CA 1.506 2.342 0 CA-C-O 121.205 0.526 . . . . 0.88 112.016 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.8 t -80.18 14.53 1.86 Allowed 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 114.435 -1.257 . . . . 1.31 109.661 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.447 ' H ' ' C ' ' A' ' 35' ' ' ALA . 42.5 mtmt -59.43 -29.61 67.9 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-N 113.555 -1.657 . . . . 1.45 113.393 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -97.03 23.35 7.35 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-N 113.467 -1.697 . . . . 1.91 112.306 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -135.7 -162.17 1.24 Allowed 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 107.235 -1.395 . . . . 0.76 107.235 179.717 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.406 ' N ' ' OG1' ' A' ' 39' ' ' THR . 31.5 p -103.55 161.32 13.98 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 113.261 -1.791 . . . . 0.85 109.836 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -47.02 -54.01 11.21 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 115.842 -0.617 . . . . 0.89 110.158 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -30.51 -48.11 0.1 Allowed 'General case' 0 N--CA 1.499 2.003 0 O-C-N 124.665 1.228 . . . . 0.69 113.289 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' HB2' ' OG1' ' A' ' 39' ' ' THR . 36.9 mt-10 -75.12 -40.79 59.57 Favored 'General case' 0 N--CA 1.513 2.706 0 CA-C-N 113.332 -1.758 . . . . 0.51 113.787 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 91.3 m -49.7 -46.87 50.55 Favored 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 101.567 -3.494 . . . . 0.47 101.567 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.539 ' HA ' ' HB3' ' A' ' 48' ' ' ALA . 12.8 m-85 -69.09 -34.66 75.47 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 109.552 -3.476 . . . . 0.54 113.193 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.481 ' HB2' ' CD2' ' A' ' 96' ' ' LEU . 8.4 t -62.26 -47.1 85.83 Favored 'General case' 0 N--CA 1.507 2.395 0 CA-C-O 122.423 1.106 . . . . 0.35 109.131 179.782 -162.425 -132.755 87.372 105.202 2.017 104.318 79.8 -73.238 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -72.98 -45.35 58.43 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 105.896 -1.891 . . . . 1.48 105.896 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.539 ' HB3' ' HA ' ' A' ' 45' ' ' PHE . . . -42.77 -64.79 0.56 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 123.954 0.784 . . . . 0.37 110.362 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.64 -62.68 1.02 Allowed 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 113.277 -1.783 . . . . 0.41 108.538 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -42.13 -62.32 0.96 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 125.027 1.455 . . . . 0.55 109.395 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.8 t -45.76 -63.19 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.179 0 CA-C-O 122.668 1.223 . . . . 0.43 113.213 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.446 HD12 ' HB2' ' A' ' 87' ' ' ASP . 1.0 OUTLIER -54.66 -52.97 60.67 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-N 113.352 -1.749 . . . . 0.48 111.468 -179.691 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' A' ' 56' ' ' TYR . 19.5 ttm-85 -42.03 -61.2 1.19 Allowed 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.036 -1.098 . . . . 0.86 108.036 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -50.96 -57.03 9.59 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 125.392 1.682 . . . . 0.79 108.404 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.65 ' CD2' HG11 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -38.11 -67.53 0.2 Allowed 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 113.478 0.918 . . . . 0.5 113.478 -179.823 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.539 ' CD1' ' N ' ' A' ' 57' ' ' SER . 4.3 p90 -63.14 -49.15 75.49 Favored 'General case' 0 N--CA 1.5 2.072 0 C-N-CA 117.491 -1.684 . . . . 0.63 113.784 -178.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.539 ' N ' ' CD1' ' A' ' 56' ' ' TYR . 25.0 t -54.54 -39.49 67.75 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 116.518 2.044 . . . . 1.21 116.518 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -84.31 -38.56 20.26 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.446 0.906 . . . . 1.27 113.446 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -83.44 -4.4 58.47 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 116.715 2.116 . . . . 0.55 116.715 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -44.28 -47.61 9.45 Favored 'General case' 0 N--CA 1.513 2.677 0 CA-C-O 121.983 0.897 . . . . 0.91 112.365 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -117.87 56.06 0.86 Allowed 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 112.525 -2.125 . . . . 0.63 110.606 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.32 -17.33 26.08 Favored 'General case' 0 N--CA 1.5 2.061 0 CA-C-N 112.379 -2.191 . . . . 1.01 107.616 179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.621 ' HA ' ' HG ' ' A' ' 66' ' ' LEU . 30.7 p 13.79 50.86 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 111.146 -2.752 . . . . 0.58 117.001 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 20.9 mtp-105 -124.89 -52.46 1.67 Allowed 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 111.935 -2.393 . . . . 1.17 106.345 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 53.8 t -83.05 -29.51 28.77 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-N 114.402 -1.272 . . . . 0.75 109.46 -179.971 -179.329 -108.938 -102.997 107.067 2.022 105.5 -27.524 -43.823 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.621 ' HG ' ' HA ' ' A' ' 63' ' ' THR . 1.1 pp -90.47 18.33 6.34 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-O 121.182 0.515 . . . . 0.66 109.984 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.08 68.2 0.55 Allowed Glycine 0 N--CA 1.496 2.699 0 N-CA-C 104.696 -3.362 . . . . 0.96 104.696 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.53 ' HB3' ' HB2' ' A' ' 72' ' ' GLN . . . -100.85 -51.14 3.63 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 110.974 -2.613 . . . . 0.96 108.642 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.568 HG23 ' H ' ' A' ' 70' ' ' ALA . 1.7 t -157.22 -61.33 0.09 Allowed 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 114.086 -1.415 . . . . 1.05 112.015 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.568 ' H ' HG23 ' A' ' 69' ' ' THR . . . -178.41 -52.5 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 106.826 -1.546 . . . . 1.07 106.826 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -58.32 -57.06 14.56 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 115.024 -0.989 . . . . 0.91 109.319 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.53 ' HB2' ' HB3' ' A' ' 68' ' ' ALA . 5.0 mm100 -51.24 -50.21 59.61 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 118.974 -0.536 . . . . 0.76 109.966 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -40.75 -61.95 0.87 Allowed 'General case' 0 N--CA 1.509 2.503 0 O-C-N 124.904 1.377 . . . . 0.93 108.969 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.34 -43.77 83.69 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 112.881 -1.963 . . . . 0.66 111.907 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.408 ' HE ' HG22 ' A' ' 22' ' ' THR . 25.9 ttp180 -63.19 -47.04 84.3 Favored 'General case' 0 N--CA 1.504 2.237 0 C-N-CA 119.196 -1.002 . . . . 1.07 112.879 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -54.11 -47.16 72.11 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 109.012 -0.736 . . . . 0.84 109.012 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -49.82 -52.1 34.87 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.413 -0.958 . . . . 1.42 108.413 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -52.44 -50.53 62.41 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 119.885 -0.726 . . . . 0.84 109.66 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.7 mp -48.98 -58.88 4.17 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-O 118.562 -0.732 . . . . 0.45 109.631 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 18.8 mm -43.95 -54.85 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.449 0 CA-C-N 118.105 0.412 . . . . 0.42 110.336 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.5 mtt180 -48.61 -58.5 4.62 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 124.264 0.978 . . . . 0.61 109.764 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.502 ' HB2' HD21 ' A' ' 17' ' ' LEU . 7.2 m-30 -55.54 -46.8 77.05 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 123.98 0.8 . . . . 1.11 111.204 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.5 mt -51.48 -56.48 13.09 Favored 'General case' 0 N--CA 1.502 2.159 0 N-CA-C 107.938 -1.134 . . . . 0.54 107.938 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -58.3 -53.58 56.71 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 119.948 -0.701 . . . . 0.67 109.652 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -43.57 -50.28 7.29 Favored 'General case' 0 N--CA 1.498 1.965 0 C-N-CA 123.762 0.825 . . . . 0.93 111.92 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.3 -55.64 11.41 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 106.907 -1.516 . . . . 0.4 106.907 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.446 ' HB2' HD12 ' A' ' 52' ' ' LEU . 13.2 t70 -40.4 -55.38 2.26 Favored 'General case' 0 N--CA 1.51 2.543 0 CA-C-N 119.182 0.901 . . . . 0.64 111.883 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -46.18 -61.74 1.64 Allowed 'General case' 0 N--CA 1.502 2.151 0 CA-C-N 114.862 -1.063 . . . . 0.64 108.973 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -56.81 -50.16 73.2 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 114.034 -1.439 . . . . 0.79 111.501 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.444 ' HA ' HD13 ' A' ' 93' ' ' LEU . 0.6 OUTLIER -34.33 -55.7 0.52 Allowed 'General case' 0 N--CA 1.505 2.311 0 O-C-N 124.4 1.062 . . . . 0.43 111.126 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.416 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 26.4 t90 -35.78 -49.81 0.61 Allowed 'General case' 0 N--CA 1.503 2.2 0 CA-C-N 113.417 -1.72 . . . . 0.0 111.602 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -48.13 -61.33 5.0 Favored Glycine 0 N--CA 1.498 2.812 0 CA-C-N 114.371 -1.286 . . . . 0.54 110.724 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.704 HD12 ' H ' ' A' ' 93' ' ' LEU . 4.3 mp -53.59 -53.3 53.72 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-N 114.109 -1.046 . . . . 0.52 109.907 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 91' ' ' TRP . . . -40.88 -60.44 1.18 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 125.316 1.635 . . . . 0.62 109.169 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 98.65 -28.94 12.68 Favored Glycine 0 N--CA 1.499 2.839 0 C-N-CA 119.357 -1.401 . . . . 0.67 113.637 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.481 ' CD2' ' HB2' ' A' ' 46' ' ' CYS . 0.3 OUTLIER -94.59 -130.77 0.15 Allowed 'General case' 0 N--CA 1.493 1.711 0 CA-C-O 117.144 -1.408 . . . . 0.67 110.267 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -148.01 -55.73 0.22 Allowed 'General case' 0 N--CA 1.499 2.023 0 CA-C-N 121.24 1.837 . . . . 0.84 112.756 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.7 t -164.75 159.04 18.24 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 107.998 -1.112 . . . . 0.87 107.998 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 64.0 m -149.19 156.14 39.99 Favored Pre-proline 0 N--CA 1.498 1.964 0 CA-C-N 115.729 -0.669 . . . . 0.6 109.426 179.73 -73.238 79.8 87.372 104.318 2.017 105.202 -132.755 -162.425 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -62.12 165.19 15.16 Favored 'Trans proline' 0 C--N 1.318 -1.042 0 N-CA-C 108.266 -1.475 . . . . 0.87 108.266 173.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.1 p -118.04 127.15 75.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 C-N-CA 120.021 -0.671 . . . . 0.69 109.397 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -125.19 92.53 3.65 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 114.199 -1.364 . . . . 1.27 108.553 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.431 ' HA ' HG23 ' A' ' 30' ' ' THR . 2.1 pp20? -31.5 137.14 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.037 0 O-C-N 125.156 1.535 . . . . 0.96 113.02 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.61 ' CB ' ' HB2' ' A' ' 35' ' ' ALA . . . -145.44 60.57 1.28 Allowed 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 115.095 -0.957 . . . . 0.49 109.001 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.7 m120 85.04 169.84 0.08 Allowed 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 104.985 -2.228 . . . . 0.61 104.985 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -114.2 152.01 31.88 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 115.784 1.772 . . . . 0.61 115.784 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.9 t -125.07 130.97 53.35 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 110.057 -3.247 . . . . 0.59 110.805 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.503 HG22 HG22 ' A' ' 28' ' ' THR . 11.6 p -86.21 93.52 9.07 Favored 'General case' 0 N--CA 1.501 2.088 0 N-CA-C 103.168 -2.901 . . . . 0.39 103.168 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.542 HD22 ' CZ ' ' A' ' 55' ' ' PHE . 21.9 tp 1.58 -60.45 0.0 OUTLIER 'General case' 0 N--CA 1.527 3.419 0 O-C-N 126.11 2.131 . . . . 0.39 114.85 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 108' ' ' THR . 13.4 tt0 -38.46 -54.21 1.49 Allowed 'General case' 0 N--CA 1.509 2.51 0 CA-C-N 119.531 1.059 . . . . 0.57 109.911 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -59.28 -59.23 5.79 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 113.592 -1.64 . . . . 0.92 109.651 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -40.74 -55.73 2.34 Favored 'General case' 0 N--CA 1.506 2.36 0 CA-C-O 122.087 0.946 . . . . 0.79 109.197 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 80.0 mt -56.57 -60.66 3.21 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 113.315 -1.766 . . . . 0.5 108.361 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -36.8 -53.26 0.93 Allowed 'General case' 0 N--CA 1.506 2.347 0 O-C-N 123.666 0.604 . . . . 0.81 112.047 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 55.8 mtt-85 -60.16 -58.67 7.55 Favored 'General case' 0 N--CA 1.501 2.09 0 CA-C-N 114.733 -1.121 . . . . 0.61 109.375 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.1 tp -43.64 -54.18 5.19 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 124.528 1.143 . . . . 0.61 110.427 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.08 -62.86 1.37 Allowed 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 113.965 -1.471 . . . . 0.49 109.282 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 71.4 m -42.5 -56.36 3.09 Favored 'General case' 0 N--CA 1.5 2.033 0 CA-C-N 115.267 -0.879 . . . . 0.45 109.915 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 35.6 mt -46.56 -65.3 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 124.49 1.119 . . . . 0.53 109.565 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.437 ' SD ' HG21 ' A' ' 10' ' ' ILE . 28.0 mmt -40.56 -56.07 2.17 Favored 'General case' 0 N--CA 1.498 1.97 0 CA-C-N 114.108 -1.406 . . . . 0.69 110.271 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.8 mtp85 -53.92 -55.81 23.47 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-N 113.641 -1.618 . . . . 1.14 112.687 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -37.36 -49.84 1.01 Allowed 'General case' 0 N--CA 1.503 2.203 0 O-C-N 124.65 1.219 . . . . 0.97 110.172 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -75.53 -53.5 8.54 Favored 'General case' 0 N--CA 1.497 1.915 0 CA-C-N 113.803 -1.544 . . . . 0.77 108.916 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -33.66 -59.77 0.39 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 124.666 1.229 . . . . 0.95 113.682 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 48.8 m -91.76 29.77 1.49 Allowed 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 115.034 1.494 . . . . 0.66 115.034 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -134.4 -52.62 0.82 Allowed 'General case' 0 N--CA 1.5 2.063 0 CA-C-O 120.922 0.391 . . . . 1.1 110.12 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -31.62 72.89 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 114.444 -1.253 . . . . 0.85 107.656 179.845 153.184 -78.114 -112.31 102.682 2.021 108.051 -144.65 -76.314 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 64.6 m -78.54 -87.78 0.06 Allowed 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 113.086 -1.87 . . . . 1.13 109.245 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 63.1 p . . . . . 0 N--CA 1.496 1.872 0 CA-C-O 117.173 -1.394 . . . . 1.61 110.838 -179.997 . . . . . . . . 0 0 . 1 stop_ save_