Table 7.

Atoms representing functional groups of BsLipA residues according to Amber ff14SB atom names [72].

Res	Atoms	Res	Atoms	Res	Atoms	Res	Atoms
A	CB	D	OD1, OD2	I	CB, CG1, CG2, CD1	F	CG, CD1, CD2, CE1, CE2, CZ
G	CA	E	OG1, OG2	T	CB, OG1, CG2	H	CG, ND1, CD2, CE1, NE2
K	NZ	N	ND2, OD1	P	CB, CG, CD	W	CG, CD1, CD2, NE1, CE2, CE3, CZ2, CZ3, CH
ACE	C	Q	NE1, OE1	V	CB, CG1, CG2	Y	CG, CD1, CD2, CE1, CE2, CZ, OH
S	OG	R	NE, NH1, NH2	M	CE, SD, CG, CB	L	CB, SG, CD1, CD2