Table 4. Atomic Charges for the Aspartate Residue (e): AMBER (ASP) and Reparameterized (ASZ)^a.

atoms	AMBER (ASP)	ASZ
N	–0.5163	–0.5163
H	0.2936	0.2936
CA	0.0381	0.0422
HA	0.0880	0.0732
CB	–0.0303	0.1549
HB1	–0.0122	–0.0052
HB2	–0.0122	–0.0052
CG	0.7994	0.7388
OD1	–0.8014	–1.1120
OD2	–0.8014	–0.6187
C	0.5366	0.5366
O	–0.5819	–0.5819

^aThe atoms are labeled with AMBER atom names.