# data_comp_list loop_ _chem_comp.id _chem_comp.three_letter_code _chem_comp.name _chem_comp.group _chem_comp.number_atoms_all _chem_comp.number_atoms_nh _chem_comp.desc_level GLU GLU 'GLUTAMIC-ACID ' L-peptide 15 9 . # data_comp_GLU # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.type_symbol _chem_comp_atom.type_energy _chem_comp_atom.partial_charge GLU N N NH1 -0.204 GLU H H HNH1 0.204 GLU CA C CH1 0.058 GLU HA H HCH1 0.046 GLU CB C CH2 -0.078 GLU HB1 H HCH2 0.039 GLU HB2 H HCH2 0.039 GLU CG C CH2 -0.067 GLU HG1 H HCH2 0.041 GLU HG2 H HCH2 0.041 GLU CD C C 0.203 GLU OE1 O OC -0.609 GLU OE2 O OC -0.609 GLU C C C 0.318 GLU O O O -0.422 loop_ _chem_comp_tree.comp_id _chem_comp_tree.atom_id _chem_comp_tree.atom_back _chem_comp_tree.atom_forward _chem_comp_tree.connect_type GLU N n/a CA START GLU H N . . GLU CA N C . GLU HA CA . . GLU CB CA CG . GLU HB1 CB . . GLU HB2 CB . . GLU CG CB CD . GLU HG1 CG . . GLU HG2 CG . . GLU CD CG OE2 . GLU OE1 CD . . GLU OE2 CD . . GLU C CA . END GLU O C . . loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.type _chem_comp_bond.value_dist _chem_comp_bond.value_dist_esd GLU N H coval 0.860 0.020 GLU N CA coval 1.458 0.019 GLU CA HA coval 0.980 0.020 GLU CA CB coval 1.530 0.020 GLU CB HB1 coval 0.970 0.020 GLU CB HB2 coval 0.970 0.020 GLU CB CG coval 1.520 0.020 GLU CG HG1 coval 0.970 0.020 GLU CG HG2 coval 0.970 0.020 GLU CG CD coval 1.516 0.020 GLU CD OE1 coval 1.249 0.020 GLU CD OE2 coval 1.249 0.020 GLU CA C coval 1.525 0.021 GLU C O coval 1.231 0.020 loop_ _chem_comp_angle.comp_id _chem_comp_angle.atom_id_1 _chem_comp_angle.atom_id_2 _chem_comp_angle.atom_id_3 _chem_comp_angle.value_angle _chem_comp_angle.value_angle_esd GLU H N CA 114.000 3.000 GLU HA CA CB 109.000 3.000 GLU CB CA C 110.100 1.900 GLU HA CA C 109.000 3.000 GLU N CA HA 110.000 3.000 GLU N CA CB 110.500 1.700 GLU HB1 CB HB2 110.000 3.000 GLU HB2 CB CG 108.000 3.000 GLU HB1 CB CG 108.000 3.000 GLU CA CB HB1 109.000 3.000 GLU CA CB HB2 109.000 3.000 GLU CA CB CG 114.100 2.000 GLU HG1 CG HG2 110.000 3.000 GLU HG2 CG CD 108.000 3.000 GLU HG1 CG CD 108.000 3.000 GLU CB CG HG1 109.000 3.000 GLU CB CG HG2 109.000 3.000 GLU CB CG CD 112.600 1.700 GLU OE1 CD OE2 123.000 2.400 GLU CG CD OE1 118.500 2.300 GLU CG CD OE2 118.500 2.300 GLU N CA C 111.200 2.800 GLU CA C O 120.800 1.700 loop_ _chem_comp_tor.comp_id _chem_comp_tor.id _chem_comp_tor.atom_id_1 _chem_comp_tor.atom_id_2 _chem_comp_tor.atom_id_3 _chem_comp_tor.atom_id_4 _chem_comp_tor.value_angle _chem_comp_tor.value_angle_esd _chem_comp_tor.period GLU chi1 N CA CB CG 180.000 15.000 3 GLU chi2 CA CB CG CD 180.000 15.000 3 GLU chi3 CB CG CD OE2 0.000 30.000 2 loop_ _chem_comp_chir.comp_id _chem_comp_chir.id _chem_comp_chir.atom_id_centre _chem_comp_chir.atom_id_1 _chem_comp_chir.atom_id_2 _chem_comp_chir.atom_id_3 _chem_comp_chir.volume_sign GLU chir_01 CA N CB C negativ loop_ _chem_comp_plane_atom.comp_id _chem_comp_plane_atom.plane_id _chem_comp_plane_atom.atom_id _chem_comp_plane_atom.dist_esd GLU plan CD 0.020 GLU plan CG 0.020 GLU plan OE1 0.020 GLU plan OE2 0.020