Table 2.

Relative Errors for Solvent Reconstructions from the Different pRDF Atom Sets

		CNO-pRDFs	CNOS-PRDFs	side chain-pRDFs
	Reconstructions from Protein Averaged Distributions
relative error within 4–6 Å shell	side chain	0.599%	0.574%	0.427%
	backbone	0.841%	0.847%	0.888%
	heavy atom	0.53%	0.51%	0.36%
total relative error	side chain	4.43%	4.44%	4.41%
	backbone	6.44%	6.39%	6.43%
	heavy atom	4.27%	4.27%	4.34%
RMSD	side chain	0.38%	0.37%	0.39%
	backbone	0.51%	0.51%	0.52%
	heavy atom	0.71%	0.71%	0.73%
	Reconstructions from Small-Molecule Distributions
relative error within 4–6 Å shell	side chain	1.37%	1.34%	0.444%
	backbone	1.05%	1.01%	0.958%
	heavy atom	1.3%	1.3%	0.39%
total relative error	side chain	5.76%	5.62%	4.42%
	backbone	6.65%	6.48%	6.05%
	heavy atom	5.42%	5.29%	4.19%
RMSD	side chain	0.37%	0.37%	0.37%
	backbone	0.50%	0.50%	0.50%
	heavy atom	0.70%	0.70%	0.71%