Table 2.

Comparisons between energy parameters

	Average energy*	Pairwise correlation coefficients
		MJ	α-α	β-β	α-β†	α-β‡	α-C†	α-C‡	β-C†	β-C‡	C-C
MJ	−2.93  (1.45)	—
α-α	−0.74  (0.99)	0.86	—
β-β	−1.66  (0.93)	0.80	0.94	—
α-β†	−0.10  (1.33)	0.83	0.92	0.89	—
α-β‡	−0.04  (1.33)	0.84	0.92	0.89	0.88	—
α-C†	0.23  (0.93)	0.89	0.92	0.87	0.89	0.90	—
α-C‡	0.18  (0.94)	0.91	0.92	0.89	0.90	0.92	0.90	—
β-C†	0.01  (0.87)	0.80	0.89	0.87	0.86	0.90	0.91	0.90	—
β-C‡	−0.14  (0.88)	0.81	0.91	0.90	0.89	0.89	0.89	0.91	0.83	—
C-C	0.25  (0.70)	0.86	0.91	0.88	0.87	0.89	0.95	0.93	0.92	0.91	—

The three asymmetric energy groups, α-β, β-C, and β-C, are subdivided into lower and upper off-diagonal triangular components and represented by † and ‡, respectively. MJ, ref. 32. 

*In RT units. Values in parentheses are the SDs.