# 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 ALA ALA 'ALANINE ' L-peptide 10 5 . # data_comp_ALA # 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 ALA N N NH1 -0.204 ALA H H HNH1 0.204 ALA CA C CH1 0.058 ALA HA H HCH1 0.046 ALA CB C CH3 -0.120 ALA HB1 H HCH3 0.040 ALA HB2 H HCH3 0.040 ALA HB3 H HCH3 0.040 ALA C C C 0.318 ALA 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 ALA N n/a CA START ALA H N . . ALA CA N C . ALA HA CA . . ALA CB CA HB3 . ALA HB1 CB . . ALA HB2 CB . . ALA HB3 CB . . ALA C CA . END ALA 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 ALA N H coval 0.860 0.020 ALA N CA coval 1.458 0.019 ALA CA HA coval 0.980 0.020 ALA CA CB coval 1.521 0.033 ALA CB HB1 coval 0.960 0.020 ALA CB HB2 coval 0.960 0.020 ALA CB HB3 coval 0.960 0.020 ALA CA C coval 1.525 0.021 ALA 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 ALA H N CA 114.000 3.000 ALA HA CA CB 109.000 3.000 ALA CB CA C 110.500 1.500 ALA HA CA C 109.000 3.000 ALA N CA HA 110.000 3.000 ALA N CA CB 110.400 1.500 ALA HB1 CB HB2 110.000 3.000 ALA HB2 CB HB3 110.000 3.000 ALA HB1 CB HB3 110.000 3.000 ALA CA CB HB1 109.000 3.000 ALA CA CB HB2 109.000 3.000 ALA CA CB HB3 109.000 3.000 ALA N CA C 111.200 2.800 ALA 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 ALA hh1 N CA CB HB3 60.000 15.000 3 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 ALA chir_01 CA N CB C negativ