chi_groups_for_atom =================== 氨基酸中所有原子在对应侧链转角编码中的索引,其中侧链扭转角编码见 `chi_angles_atoms`。 例如,('ARG', 'N'):[(0, 0)] 代表氨基酸 "ARG" 中"N"原子的编码索引为"ARG"的侧链转角编码的(0,0)位置。 +------------------+-------------------------------------+ | key | value | +==================+=====================================+ | ('ARG', 'N') | [(0, 0)] | +------------------+-------------------------------------+ | ('ARG', 'CA') | [(0, 1), (1, 0)] | +------------------+-------------------------------------+ | ('ARG', 'CB') | [(0, 2), (1, 1), (2, 0)] | +------------------+-------------------------------------+ | ('ARG', 'CG') | [(0, 3), (1, 2), (2, 1), (3, 0)] | +------------------+-------------------------------------+ | ('ARG', 'CD') | [(1, 3), (2, 2), (3, 1)] | +------------------+-------------------------------------+ | ('ARG', 'NE') | [(2, 3), (3, 2)] | +------------------+-------------------------------------+ | ('ARG', 'CZ') | [(3, 3)] | +------------------+-------------------------------------+ | ('ASN', 'N') | [(0, 0)] | +------------------+-------------------------------------+ | ('ASN', 'CA') | [(0, 1), (1, 0)] | +------------------+-------------------------------------+ | ('ASN', 'CB') | [(0, 2), (1, 1)] | +------------------+-------------------------------------+ | ('ASN', 'CG') | [(0, 3), (1, 2)] | +------------------+-------------------------------------+ | ('ASN', 'OD1') | [(1, 3)] | +------------------+-------------------------------------+ | ('ASP', 'N') | [(0, 0)] | +------------------+-------------------------------------+ | ('ASP', 'CA') | [(0, 1), (1, 0)] | +------------------+-------------------------------------+ | ('ASP', 'CB') | [(0, 2), (1, 1)] | +------------------+-------------------------------------+ | ('ASP', 'CG') | [(0, 3), (1, 2)] | +------------------+-------------------------------------+ | ('ASP', 'OD1') | [(1, 3)] | +------------------+-------------------------------------+ | ('CYS', 'N') | [(0, 0)] | +------------------+-------------------------------------+ | ('CYS', 'CA') | [(0, 1)] | +------------------+-------------------------------------+ | ('CYS', 'CB') | [(0, 2)] | +------------------+-------------------------------------+ | ('CYS', 'SG') | [(0, 3)] | +------------------+-------------------------------------+ | ('GLN', 'N') | [(0, 0)] | +------------------+-------------------------------------+ | ('GLN', 'CA') | [(0, 1), (1, 0)] | +------------------+-------------------------------------+ | ('GLN', 'CB') | [(0, 2), (1, 1), (2, 0)] | +------------------+-------------------------------------+ | ('GLN', 'CG') | [(0, 3), (1, 2), (2, 1)] | +------------------+-------------------------------------+ | ('GLN', 'CD') | [(1, 3), (2, 2)] | +------------------+-------------------------------------+ | ('GLN', 'OE1') | [(2, 3)] | +------------------+-------------------------------------+ | ('GLU', 'N') | [(0, 0)] | +------------------+-------------------------------------+ | ('GLU', 'CA') | [(0, 1), (1, 0)] | +------------------+-------------------------------------+ | ('GLU', 'CB') | [(0, 2), (1, 1), (2, 0)] | +------------------+-------------------------------------+ | ('GLU', 'CG') | [(0, 3), (1, 2), (2, 1)] | +------------------+-------------------------------------+ | ('GLU', 'CD') | [(1, 3), (2, 2)] | +------------------+-------------------------------------+ | ('GLU', 'OE1') | [(2, 3)] | +------------------+-------------------------------------+ | ('HIS', 'N') | [(0, 0)] | +------------------+-------------------------------------+ | ('HIS', 'CA') | [(0, 1), (1, 0)] | +------------------+-------------------------------------+ | ('HIS', 'CB') | [(0, 2), (1, 1)] | +------------------+-------------------------------------+ | ('HIS', 'CG') | [(0, 3), (1, 2)] | +------------------+-------------------------------------+ | ('HIS', 'ND1') | [(1, 3)] | +------------------+-------------------------------------+ | ('ILE', 'N') | [(0, 0)] | +------------------+-------------------------------------+ | ('ILE', 'CA') | [(0, 1), (1, 0)] | +------------------+-------------------------------------+ | ('ILE', 'CB') | [(0, 2), (1, 1)] | +------------------+-------------------------------------+ | ('ILE', 'CG1') | [(0, 3), (1, 2)] | +------------------+-------------------------------------+ | ('ILE', 'CD1') | [(1, 3)] | +------------------+-------------------------------------+ | ('LEU', 'N') | [(0, 0)] | +------------------+-------------------------------------+ | ('LEU', 'CA') | [(0, 1), (1, 0)] | +------------------+-------------------------------------+ | ('LEU', 'CB') | [(0, 2), (1, 1)] | +------------------+-------------------------------------+ | ('LEU', 'CG') | [(0, 3), (1, 2)] | +------------------+-------------------------------------+ | ('LEU', 'CD1') | [(1, 3)] | +------------------+-------------------------------------+ | ('LYS', 'N') | [(0, 0)] | +------------------+-------------------------------------+ | ('LYS', 'CA') | [(0, 1), (1, 0)] | +------------------+-------------------------------------+ | ('LYS', 'CB') | [(0, 2), (1, 1), (2, 0)] | +------------------+-------------------------------------+ | ('LYS', 'CG') | [(0, 3), (1, 2), (2, 1), (3, 0)] | +------------------+-------------------------------------+ | ('LYS', 'CD') | [(1, 3), (2, 2), (3, 1)] | +------------------+-------------------------------------+ | ('LYS', 'CE') | [(2, 3), (3, 2)] | +------------------+-------------------------------------+ | ('LYS', 'NZ') | [(3, 3)] | +------------------+-------------------------------------+ | ('MET', 'N') | [(0, 0)] | +------------------+-------------------------------------+ | ('MET', 'CA') | [(0, 1), (1, 0)] | +------------------+-------------------------------------+ | ('MET', 'CB') | [(0, 2), (1, 1), (2, 0)] | +------------------+-------------------------------------+ | ('MET', 'CG') | [(0, 3), (1, 2), (2, 1)] | +------------------+-------------------------------------+ | ('MET', 'SD') | [(1, 3), (2, 2)] | +------------------+-------------------------------------+ | ('MET', 'CE') | [(2, 3)] | +------------------+-------------------------------------+ | ('PHE', 'N') | [(0, 0)] | +------------------+-------------------------------------+ | ('PHE', 'CA') | [(0, 1), (1, 0)] | +------------------+-------------------------------------+ | ('PHE', 'CB') | [(0, 2), (1, 1)] | +------------------+-------------------------------------+ | ('PHE', 'CG') | [(0, 3), (1, 2)] | +------------------+-------------------------------------+ | ('PHE', 'CD1') | [(1, 3)] | +------------------+-------------------------------------+ | ('PRO', 'N') | [(0, 0)] | +------------------+-------------------------------------+ | ('PRO', 'CA') | [(0, 1), (1, 0)] | +------------------+-------------------------------------+ | ('PRO', 'CB') | [(0, 2), (1, 1)] | +------------------+-------------------------------------+ | ('PRO', 'CG') | [(0, 3), (1, 2)] | +------------------+-------------------------------------+ | ('PRO', 'CD') | [(1, 3)] | +------------------+-------------------------------------+ | ('SER', 'N') | [(0, 0)] | +------------------+-------------------------------------+ | ('SER', 'CA') | [(0, 1)] | +------------------+-------------------------------------+ | ('SER', 'CB') | [(0, 2)] | +------------------+-------------------------------------+ | ('SER', 'OG') | [(0, 3)] | +------------------+-------------------------------------+ | ('THR', 'N') | [(0, 0)] | +------------------+-------------------------------------+ | ('THR', 'CA') | [(0, 1)] | +------------------+-------------------------------------+ | ('THR', 'CB') | [(0, 2)] | +------------------+-------------------------------------+ | ('THR', 'OG1') | [(0, 3)] | +------------------+-------------------------------------+ | ('TRP', 'N') | [(0, 0)] | +------------------+-------------------------------------+ | ('TRP', 'CA') | [(0, 1), (1, 0)] | +------------------+-------------------------------------+ | ('TRP', 'CB') | [(0, 2), (1, 1)] | +------------------+-------------------------------------+ | ('TRP', 'CG') | [(0, 3), (1, 2)] | +------------------+-------------------------------------+ | ('TRP', 'CD1') | [(1, 3)] | +------------------+-------------------------------------+ | ('TYR', 'N') | [(0, 0)] | +------------------+-------------------------------------+ | ('TYR', 'CA') | [(0, 1), (1, 0)] | +------------------+-------------------------------------+ | ('TYR', 'CB') | [(0, 2), (1, 1)] | +------------------+-------------------------------------+ | ('TYR', 'CG') | [(0, 3), (1, 2)] | +------------------+-------------------------------------+ | ('TYR', 'CD1') | [(1, 3)] | +------------------+-------------------------------------+ | ('VAL', 'N') | [(0, 0)] | +------------------+-------------------------------------+ | ('VAL', 'CA') | [(0, 1)] | +------------------+-------------------------------------+ | ('VAL', 'CB') | [(0, 2)] | +------------------+-------------------------------------+ | ('VAL', 'CG1') | [(0, 3)] | +------------------+-------------------------------------+