# 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 VAL VAL 'VALINE ' L-peptide 16 7 . # data_comp_VAL # 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 VAL N N NH1 -0.204 VAL H H HNH1 0.204 VAL CA C CH1 0.058 VAL HA H HCH1 0.046 VAL CB C CH1 -0.038 VAL HB H HCH1 0.038 VAL CG1 C CH3 -0.114 VAL HG11 H HCH3 0.038 VAL HG12 H HCH3 0.038 VAL HG13 H HCH3 0.038 VAL CG2 C CH3 -0.114 VAL HG21 H HCH3 0.038 VAL HG22 H HCH3 0.038 VAL HG23 H HCH3 0.038 VAL C C C 0.318 VAL 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 VAL N n/a CA START VAL H N . . VAL CA N C . VAL HA CA . . VAL CB CA CG2 . VAL HB CB . . VAL CG1 CB HG13 . VAL HG11 CG1 . . VAL HG12 CG1 . . VAL HG13 CG1 . . VAL CG2 CB HG23 . VAL HG21 CG2 . . VAL HG22 CG2 . . VAL HG23 CG2 . . VAL C CA . END VAL 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 VAL N H coval 0.860 0.020 VAL N CA coval 1.458 0.019 VAL CA HA coval 0.980 0.020 VAL CA CB coval 1.540 0.027 VAL CB HB coval 0.980 0.020 VAL CB CG1 coval 1.521 0.033 VAL CG1 HG11 coval 0.960 0.020 VAL CG1 HG12 coval 0.960 0.020 VAL CG1 HG13 coval 0.960 0.020 VAL CB CG2 coval 1.521 0.033 VAL CG2 HG21 coval 0.960 0.020 VAL CG2 HG22 coval 0.960 0.020 VAL CG2 HG23 coval 0.960 0.020 VAL CA C coval 1.525 0.021 VAL 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 VAL H N CA 114.000 3.000 VAL HA CA CB 109.000 3.000 VAL CB CA C 109.100 2.200 VAL HA CA C 109.000 3.000 VAL N CA HA 110.000 3.000 VAL N CA CB 111.500 1.700 VAL HB CB CG1 108.000 3.000 VAL CG1 CB CG2 110.800 2.200 VAL HB CB CG2 108.000 3.000 VAL CA CB HB 109.000 3.000 VAL CA CB CG1 110.500 1.700 VAL HG11 CG1 HG12 110.000 3.000 VAL HG12 CG1 HG13 110.000 3.000 VAL HG11 CG1 HG13 110.000 3.000 VAL CB CG1 HG11 109.000 3.000 VAL CB CG1 HG12 109.000 3.000 VAL CB CG1 HG13 109.000 3.000 VAL CA CB CG2 110.500 1.700 VAL HG21 CG2 HG22 110.000 3.000 VAL HG22 CG2 HG23 110.000 3.000 VAL HG21 CG2 HG23 110.000 3.000 VAL CB CG2 HG21 109.000 3.000 VAL CB CG2 HG22 109.000 3.000 VAL CB CG2 HG23 109.000 3.000 VAL N CA C 111.200 2.800 VAL 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 VAL chi1 N CA CB CG2 180.000 15.000 3 VAL hh1 CA CB CG1 HG13 60.000 30.000 2 VAL hh2 CA CB CG2 HG23 60.000 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 VAL chir_01 CA N CB C negativ VAL chir_02 CB CA CG1 CG2 both