data_1hfi_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 1hfi _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.466 ' H2 ' ' CD ' ' A' ' 1' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 121.693 0.758 . . . . 0.0 109.004 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.454 ' HA ' ' SD ' ' A' ' 52' ' ' MET . 3.5 mptp? -81.22 145.32 31.03 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.565 HG13 ' N ' ' A' ' 53' ' ' GLY . 12.1 pt -108.98 153.48 42.47 Favored Pre-proline 0 C--N 1.303 -1.434 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.278 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -72.28 163.64 38.05 Favored 'Trans proline' 0 C--N 1.315 -1.22 0 C-N-CA 122.081 1.854 . . . . 0.0 107.83 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.75 165.92 11.08 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 113.24 -1.8 . . . . 0.0 106.358 -179.487 -9.985 -116.117 -105.502 106.536 2.017 103.492 172.596 170.994 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.482 ' HG ' ' H ' ' A' ' 7' ' ' GLN . 23.1 t -112.88 -172.57 2.08 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 105.2 -2.148 . . . . 0.0 105.2 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.482 ' H ' ' HG ' ' A' ' 6' ' ' SER . 63.6 mm-40 -33.53 132.56 0.36 Allowed Pre-proline 0 N--CA 1.507 2.402 0 O-C-N 124.355 1.035 . . . . 0.0 110.918 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -64.14 160.04 40.13 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.715 1.61 . . . . 0.0 109.417 -178.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -63.02 177.05 1.57 Allowed 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.415 2.077 . . . . 0.0 111.588 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -125.18 144.18 50.57 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.473 HD13 ' CD1' ' A' ' 34' ' ' TYR . 13.0 pt -132.9 100.1 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -5.99 116.73 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.658 0 N-CA-C 116.771 2.138 . . . . 0.0 116.771 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 86.0 -45.16 0.05 Allowed 'General case' 0 N--CA 1.509 2.477 0 O-C-N 124.833 1.333 . . . . 0.0 112.961 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.3 165.77 15.1 Favored Glycine 0 N--CA 1.493 2.475 0 O-C-N 124.182 0.927 . . . . 0.0 111.59 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.8 p -141.3 178.81 7.16 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 113.642 -1.279 . . . . 0.0 109.613 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.8 tp -75.77 158.23 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.413 HD22 ' HB2' ' A' ' 33' ' ' SER . 0.1 OUTLIER -126.02 58.55 1.34 Allowed 'General case' 0 N--CA 1.503 2.199 0 CA-C-O 121.844 0.831 . . . . 0.0 110.024 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.6 t -93.87 -45.77 7.49 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-N 114.187 -1.369 . . . . 0.0 110.296 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.7 p 140.25 50.52 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.454 0 O-C-N 126.391 2.307 . . . . 0.0 106.476 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.7 mtp85 36.47 -75.0 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 118.179 2.659 . . . . 0.0 118.179 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.0 t -125.64 101.61 6.97 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 122.117 0.96 . . . . 0.0 111.411 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.9 t -121.89 -58.07 1.76 Allowed 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 104.002 -2.592 . . . . 0.0 104.002 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -123.02 -178.83 4.07 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 113.103 -1.862 . . . . 0.0 106.97 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.422 ' HA ' ' NE2' ' A' ' 7' ' ' GLN . 53.8 mt-10 -114.5 -41.77 3.39 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.9 t -117.29 158.45 24.34 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-N 112.91 -1.95 . . . . 0.0 108.275 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -128.25 173.77 9.85 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.42 171.84 7.34 Favored 'General case' 0 N--CA 1.501 2.105 0 C-N-CA 119.511 -0.876 . . . . 0.0 110.463 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 32.9 p-80 -74.63 133.97 42.1 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 114.568 -1.196 . . . . 0.0 107.856 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.75 -38.99 2.97 Favored Glycine 0 N--CA 1.486 1.977 0 N-CA-C 108.648 -1.781 . . . . 0.0 108.648 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.3 m -33.16 134.71 0.12 Allowed 'General case' 0 N--CA 1.505 2.281 0 O-C-N 125.48 1.341 . . . . 0.0 113.189 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -128.57 107.86 10.04 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 105.966 -1.865 . . . . 0.0 105.966 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.2 mt -105.06 157.61 17.12 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.413 ' HB2' HD22 ' A' ' 17' ' ' ASN . 53.7 m -106.09 174.08 6.04 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.473 ' CD1' HD13 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -123.64 164.74 18.46 Favored 'General case' 0 N--CA 1.5 2.039 0 C-N-CA 118.789 -1.164 . . . . 0.0 110.923 -179.561 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.1 m -147.36 145.99 29.49 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 124.047 0.842 . . . . 0.0 110.39 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.1 m -116.85 163.34 16.32 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 124.176 0.922 . . . . 0.0 109.1 179.883 -55.586 -81.44 -86.644 103.476 2.017 102.953 -80.518 -55.269 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.443 ' HB2' ' CD1' ' A' ' 40' ' ' PHE . 13.1 mt-10 -50.14 169.29 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.8 82.49 0.84 Allowed Glycine 0 N--CA 1.495 2.584 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.439 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.43 19.64 0.66 Allowed Glycine 0 N--CA 1.496 2.647 0 CA-C-N 114.536 -0.832 . . . . 0.0 112.936 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 37' ' ' GLU . 7.5 m-85 -118.89 150.52 39.74 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -108.75 145.72 34.68 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 104.528 -2.397 . . . . 0.0 104.528 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 tp -108.59 151.66 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.9 m -67.85 167.39 13.63 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -34.34 147.75 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.193 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 32.6 99.07 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -82.45 74.86 9.39 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 119.285 -0.966 . . . . 0.0 112.536 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 33' ' ' SER . 24.2 tt0 -147.53 152.0 37.27 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-N 114.523 -1.217 . . . . 0.0 111.902 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.5 t -134.24 140.1 46.23 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 105.712 -1.959 . . . . 0.0 105.712 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.4 m -123.63 157.93 32.65 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 123.775 0.672 . . . . 0.0 110.118 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 18.4 t -111.42 137.75 48.81 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 124.789 1.305 . . . . 0.0 111.851 179.579 170.994 172.596 -105.502 103.492 2.017 106.536 -116.117 -9.985 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 52' ' ' MET . 14.6 t80 -133.42 138.95 46.47 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 103.37 -2.826 . . . . 0.0 103.37 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.454 ' SD ' ' HA ' ' A' ' 2' ' ' LYS . 74.4 mmm 21.28 74.91 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.394 0 CA-C-O 122.6 1.191 . . . . 0.0 113.515 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.565 ' N ' HG13 ' A' ' 3' ' ' ILE . . . 41.61 31.75 0.74 Allowed Glycine 0 N--CA 1.496 2.687 0 CA-C-N 112.699 -2.046 . . . . 0.0 117.67 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -136.29 154.56 50.84 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -104.98 175.78 5.38 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -108.88 144.1 37.22 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 61.5 m -23.98 87.3 0.04 OUTLIER Pre-proline 0 N--CA 1.501 2.102 0 O-C-N 126.327 2.267 . . . . 0.0 114.003 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -63.03 155.58 59.96 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 122.406 2.07 . . . . 0.0 109.308 -168.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -67.53 173.28 9.09 Favored 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 122.15 1.9 . . . . 0.0 108.267 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -129.64 161.93 29.46 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.5 m -104.35 128.7 52.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 124.909 1.381 . . . . 0.0 109.771 -179.779 -55.269 -80.518 -86.644 102.953 2.017 103.476 -81.44 -55.586 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 104.626 -2.361 . . . . 0.0 104.626 179.703 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 121.693 0.758 . . . . 0.0 109.004 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.479 ' HA ' ' SD ' ' A' ' 52' ' ' MET . 3.5 mptp? -81.22 145.32 31.03 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.616 HG13 ' N ' ' A' ' 53' ' ' GLY . 12.1 pt -108.98 153.48 42.47 Favored Pre-proline 0 C--N 1.303 -1.434 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.278 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -72.28 163.64 38.05 Favored 'Trans proline' 0 C--N 1.315 -1.22 0 C-N-CA 122.081 1.854 . . . . 0.0 107.83 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.75 165.92 11.08 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 113.24 -1.8 . . . . 0.0 106.358 -179.487 -9.985 -116.117 -105.502 106.536 2.017 103.492 172.596 170.994 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -112.88 -172.57 2.08 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 105.2 -2.148 . . . . 0.0 105.2 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.438 ' NE2' ' HA ' ' A' ' 24' ' ' GLU . 63.6 mm-40 -33.53 132.56 0.36 Allowed Pre-proline 0 N--CA 1.507 2.402 0 O-C-N 124.355 1.035 . . . . 0.0 110.918 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -64.14 160.04 40.13 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.715 1.61 . . . . 0.0 109.417 -178.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -63.02 177.05 1.57 Allowed 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.415 2.077 . . . . 0.0 111.588 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -125.18 144.18 50.57 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.537 HD11 ' CD1' ' A' ' 34' ' ' TYR . 13.0 pt -132.9 100.1 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -5.99 116.73 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.658 0 N-CA-C 116.771 2.138 . . . . 0.0 116.771 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 86.0 -45.16 0.05 Allowed 'General case' 0 N--CA 1.509 2.477 0 O-C-N 124.833 1.333 . . . . 0.0 112.961 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.3 165.77 15.1 Favored Glycine 0 N--CA 1.493 2.475 0 O-C-N 124.182 0.927 . . . . 0.0 111.59 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.8 p -141.3 178.81 7.16 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 113.642 -1.279 . . . . 0.0 109.613 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.8 tp -75.77 158.23 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.3 p30 -126.02 58.55 1.34 Allowed 'General case' 0 N--CA 1.503 2.199 0 CA-C-O 121.844 0.831 . . . . 0.0 110.024 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.6 t -93.87 -45.77 7.49 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-N 114.187 -1.369 . . . . 0.0 110.296 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.7 p 140.25 50.52 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.454 0 O-C-N 126.391 2.307 . . . . 0.0 106.476 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.7 mtp85 36.47 -75.0 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 118.179 2.659 . . . . 0.0 118.179 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.0 t -125.64 101.61 6.97 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 122.117 0.96 . . . . 0.0 111.411 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.9 t -121.89 -58.07 1.76 Allowed 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 104.002 -2.592 . . . . 0.0 104.002 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -123.02 -178.83 4.07 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 113.103 -1.862 . . . . 0.0 106.97 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.438 ' HA ' ' NE2' ' A' ' 7' ' ' GLN . 53.8 mt-10 -114.5 -41.77 3.39 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.9 t -117.29 158.45 24.34 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-N 112.91 -1.95 . . . . 0.0 108.275 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -128.25 173.77 9.85 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.42 171.84 7.34 Favored 'General case' 0 N--CA 1.501 2.105 0 C-N-CA 119.511 -0.876 . . . . 0.0 110.463 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 32.9 p-80 -74.63 133.97 42.1 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 114.568 -1.196 . . . . 0.0 107.856 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.75 -38.99 2.97 Favored Glycine 0 N--CA 1.486 1.977 0 N-CA-C 108.648 -1.781 . . . . 0.0 108.648 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.3 m -33.16 134.71 0.12 Allowed 'General case' 0 N--CA 1.505 2.281 0 O-C-N 125.48 1.341 . . . . 0.0 113.189 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -128.57 107.86 10.04 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 105.966 -1.865 . . . . 0.0 105.966 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.2 mt -105.06 157.61 17.12 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' 47' ' ' GLU . 53.7 m -106.09 174.08 6.04 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.537 ' CD1' HD11 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -123.64 164.74 18.46 Favored 'General case' 0 N--CA 1.5 2.039 0 C-N-CA 118.789 -1.164 . . . . 0.0 110.923 -179.561 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.1 m -147.36 145.99 29.49 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 124.047 0.842 . . . . 0.0 110.39 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.411 ' SG ' HD13 ' A' ' 42' ' ' ILE . 60.1 m -116.85 163.34 16.32 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 124.176 0.922 . . . . 0.0 109.1 179.883 -55.586 -81.44 -86.644 103.476 2.017 102.953 -80.518 -55.269 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.448 ' HB2' ' CD1' ' A' ' 40' ' ' PHE . 13.1 mt-10 -50.14 169.29 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.8 82.49 0.84 Allowed Glycine 0 N--CA 1.495 2.584 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.439 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.43 19.64 0.66 Allowed Glycine 0 N--CA 1.496 2.647 0 CA-C-N 114.536 -0.832 . . . . 0.0 112.936 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 37' ' ' GLU . 7.5 m-85 -118.89 150.52 39.74 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -108.75 145.72 34.68 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 104.528 -2.397 . . . . 0.0 104.528 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.411 HD13 ' SG ' ' A' ' 36' ' ' CYS . 1.9 tp -108.59 151.66 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.9 m -67.85 167.39 13.63 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -34.34 147.75 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.193 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 32.6 99.07 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -82.45 74.86 9.39 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 119.285 -0.966 . . . . 0.0 112.536 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.441 ' HA ' ' HA ' ' A' ' 33' ' ' SER . 24.2 tt0 -147.53 152.0 37.27 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-N 114.523 -1.217 . . . . 0.0 111.902 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.5 t -134.24 140.1 46.23 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 105.712 -1.959 . . . . 0.0 105.712 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.4 m -123.63 157.93 32.65 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 123.775 0.672 . . . . 0.0 110.118 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 18.4 t -111.42 137.75 48.81 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 124.789 1.305 . . . . 0.0 111.851 179.579 170.994 172.596 -105.502 103.492 2.017 106.536 -116.117 -9.985 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 52' ' ' MET . 14.6 t80 -133.42 138.95 46.47 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 103.37 -2.826 . . . . 0.0 103.37 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.479 ' SD ' ' HA ' ' A' ' 2' ' ' LYS . 74.4 mmm 21.28 74.91 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.394 0 CA-C-O 122.6 1.191 . . . . 0.0 113.515 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.616 ' N ' HG13 ' A' ' 3' ' ' ILE . . . 41.61 31.75 0.74 Allowed Glycine 0 N--CA 1.496 2.687 0 CA-C-N 112.699 -2.046 . . . . 0.0 117.67 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -136.29 154.56 50.84 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -104.98 175.78 5.38 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -108.88 144.1 37.22 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 61.5 m -23.98 87.3 0.04 OUTLIER Pre-proline 0 N--CA 1.501 2.102 0 O-C-N 126.327 2.267 . . . . 0.0 114.003 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -63.03 155.58 59.96 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 122.406 2.07 . . . . 0.0 109.308 -168.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -67.53 173.28 9.09 Favored 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 122.15 1.9 . . . . 0.0 108.267 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -129.64 161.93 29.46 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.5 m -104.35 128.7 52.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 124.909 1.381 . . . . 0.0 109.771 -179.779 -55.269 -80.518 -86.644 102.953 2.017 103.476 -81.44 -55.586 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 104.626 -2.361 . . . . 0.0 104.626 179.703 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 121.693 0.758 . . . . 0.0 109.004 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.479 ' HA ' ' SD ' ' A' ' 52' ' ' MET . 3.5 mptp? -81.22 145.32 31.03 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.616 HG13 ' N ' ' A' ' 53' ' ' GLY . 12.1 pt -108.98 153.48 42.47 Favored Pre-proline 0 C--N 1.303 -1.434 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.278 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -72.28 163.64 38.05 Favored 'Trans proline' 0 C--N 1.315 -1.22 0 C-N-CA 122.081 1.854 . . . . 0.0 107.83 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.75 165.92 11.08 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 113.24 -1.8 . . . . 0.0 106.358 -179.487 -9.985 -116.117 -105.502 106.536 2.017 103.492 172.596 170.994 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -112.88 -172.57 2.08 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 105.2 -2.148 . . . . 0.0 105.2 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.438 ' NE2' ' HA ' ' A' ' 24' ' ' GLU . 63.6 mm-40 -33.53 132.56 0.36 Allowed Pre-proline 0 N--CA 1.507 2.402 0 O-C-N 124.355 1.035 . . . . 0.0 110.918 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -64.14 160.04 40.13 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.715 1.61 . . . . 0.0 109.417 -178.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -63.02 177.05 1.57 Allowed 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.415 2.077 . . . . 0.0 111.588 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -125.18 144.18 50.57 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.537 HD11 ' CD1' ' A' ' 34' ' ' TYR . 13.0 pt -132.9 100.1 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -5.99 116.73 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.658 0 N-CA-C 116.771 2.138 . . . . 0.0 116.771 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 86.0 -45.16 0.05 Allowed 'General case' 0 N--CA 1.509 2.477 0 O-C-N 124.833 1.333 . . . . 0.0 112.961 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.3 165.77 15.1 Favored Glycine 0 N--CA 1.493 2.475 0 O-C-N 124.182 0.927 . . . . 0.0 111.59 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.8 p -141.3 178.81 7.16 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 113.642 -1.279 . . . . 0.0 109.613 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.8 tp -75.77 158.23 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.496 HD21 ' HB2' ' A' ' 33' ' ' SER . 0.1 OUTLIER -126.02 58.55 1.34 Allowed 'General case' 0 N--CA 1.503 2.199 0 CA-C-O 121.844 0.831 . . . . 0.0 110.024 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.6 t -93.87 -45.77 7.49 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-N 114.187 -1.369 . . . . 0.0 110.296 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.7 p 140.25 50.52 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.454 0 O-C-N 126.391 2.307 . . . . 0.0 106.476 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.7 mtp85 36.47 -75.0 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 118.179 2.659 . . . . 0.0 118.179 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.0 t -125.64 101.61 6.97 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 122.117 0.96 . . . . 0.0 111.411 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.9 t -121.89 -58.07 1.76 Allowed 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 104.002 -2.592 . . . . 0.0 104.002 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -123.02 -178.83 4.07 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 113.103 -1.862 . . . . 0.0 106.97 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.438 ' HA ' ' NE2' ' A' ' 7' ' ' GLN . 53.8 mt-10 -114.5 -41.77 3.39 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.9 t -117.29 158.45 24.34 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-N 112.91 -1.95 . . . . 0.0 108.275 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -128.25 173.77 9.85 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.42 171.84 7.34 Favored 'General case' 0 N--CA 1.501 2.105 0 C-N-CA 119.511 -0.876 . . . . 0.0 110.463 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 32.9 p-80 -74.63 133.97 42.1 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 114.568 -1.196 . . . . 0.0 107.856 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.75 -38.99 2.97 Favored Glycine 0 N--CA 1.486 1.977 0 N-CA-C 108.648 -1.781 . . . . 0.0 108.648 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.3 m -33.16 134.71 0.12 Allowed 'General case' 0 N--CA 1.505 2.281 0 O-C-N 125.48 1.341 . . . . 0.0 113.189 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -128.57 107.86 10.04 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 105.966 -1.865 . . . . 0.0 105.966 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.2 mt -105.06 157.61 17.12 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.496 ' HB2' HD21 ' A' ' 17' ' ' ASN . 53.7 m -106.09 174.08 6.04 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.537 ' CD1' HD11 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -123.64 164.74 18.46 Favored 'General case' 0 N--CA 1.5 2.039 0 C-N-CA 118.789 -1.164 . . . . 0.0 110.923 -179.561 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.1 m -147.36 145.99 29.49 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 124.047 0.842 . . . . 0.0 110.39 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.411 ' SG ' HD13 ' A' ' 42' ' ' ILE . 60.1 m -116.85 163.34 16.32 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 124.176 0.922 . . . . 0.0 109.1 179.883 -55.586 -81.44 -86.644 103.476 2.017 102.953 -80.518 -55.269 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.448 ' HB2' ' CD1' ' A' ' 40' ' ' PHE . 13.1 mt-10 -50.14 169.29 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.8 82.49 0.84 Allowed Glycine 0 N--CA 1.495 2.584 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.439 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.43 19.64 0.66 Allowed Glycine 0 N--CA 1.496 2.647 0 CA-C-N 114.536 -0.832 . . . . 0.0 112.936 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 37' ' ' GLU . 7.5 m-85 -118.89 150.52 39.74 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -108.75 145.72 34.68 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 104.528 -2.397 . . . . 0.0 104.528 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.411 HD13 ' SG ' ' A' ' 36' ' ' CYS . 1.9 tp -108.59 151.66 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.9 m -67.85 167.39 13.63 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -34.34 147.75 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.193 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 32.6 99.07 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -82.45 74.86 9.39 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 119.285 -0.966 . . . . 0.0 112.536 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.441 ' HA ' ' HA ' ' A' ' 33' ' ' SER . 24.2 tt0 -147.53 152.0 37.27 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-N 114.523 -1.217 . . . . 0.0 111.902 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.5 t -134.24 140.1 46.23 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 105.712 -1.959 . . . . 0.0 105.712 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.4 m -123.63 157.93 32.65 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 123.775 0.672 . . . . 0.0 110.118 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 18.4 t -111.42 137.75 48.81 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 124.789 1.305 . . . . 0.0 111.851 179.579 170.994 172.596 -105.502 103.492 2.017 106.536 -116.117 -9.985 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 52' ' ' MET . 14.6 t80 -133.42 138.95 46.47 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 103.37 -2.826 . . . . 0.0 103.37 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.479 ' SD ' ' HA ' ' A' ' 2' ' ' LYS . 74.4 mmm 21.28 74.91 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.394 0 CA-C-O 122.6 1.191 . . . . 0.0 113.515 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.616 ' N ' HG13 ' A' ' 3' ' ' ILE . . . 41.61 31.75 0.74 Allowed Glycine 0 N--CA 1.496 2.687 0 CA-C-N 112.699 -2.046 . . . . 0.0 117.67 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -136.29 154.56 50.84 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -104.98 175.78 5.38 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -108.88 144.1 37.22 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 61.5 m -23.98 87.3 0.04 OUTLIER Pre-proline 0 N--CA 1.501 2.102 0 O-C-N 126.327 2.267 . . . . 0.0 114.003 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -63.03 155.58 59.96 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 122.406 2.07 . . . . 0.0 109.308 -168.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -67.53 173.28 9.09 Favored 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 122.15 1.9 . . . . 0.0 108.267 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -129.64 161.93 29.46 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.5 m -104.35 128.7 52.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 124.909 1.381 . . . . 0.0 109.771 -179.779 -55.269 -80.518 -86.644 102.953 2.017 103.476 -81.44 -55.586 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 104.626 -2.361 . . . . 0.0 104.626 179.703 . . . . . . . . 0 0 . 1 stop_ save_