Table 2. Calculated isothermal compressibility and time-averaged nonbonding energy from molecular dynamics.

Protein	*	†	†	†	†	†	†	†
Trypsin	6.4	-5.0	-27.5	-32.5	-3.4	-7.6	-1.6	-20.0
RNase A	7.5	-5.7	-43.5	-47.5	-3.7	-15.0	-1.9	-28.5
Hen egg-white lysozyme	9.9	-5.6	-53.4	-59.0	-3.8	-25.6	-1.8	-27.8
α-Lactalbumin	11.5	-4.4	-51.7	-56.2	-2.8	-16.4	-1.7	-35.3

^*β_T^calc (in 10^-6 atm^-1) is the calculated isothermal compressibility from molecular dynamics simulations (7).

^†Angle brackets represent time averages of the per-residue energy components (in kcal mol^-1): van der Waals (vdW), electrostatic (elec), and the nonbonding (nb) energy, which is the sum of van der Waals and electrostatic components. The contributions to the total (tot) energy are decomposed into the intraprotein (int) and protein—water (prw) interactions.