Table 2.

Summary of the structure parameters and agreement with the NMR data prior to the refinement with constraints on the geometry of hydrogen placement relative to the backbone atoms.

	2VB1		1IEE		3WL2		6F1O
	Original	Refined	Original	Refined	Original	Refined	Original	Refined
Rcryst	0.0848	0.0854	0.1226	0.1252	0.1680	0.1782	0.1376	0.1359
Rfree	0.0843	0.0862	0.1196	0.1321	0.2040	0.1926	0.1474	0.1459
RMS bond length	0.0295	0.0323	0.0156	0.0138	0.0320	0.0173	0.0073	0.0082
RMS bond angle	3.1223	2.9860	2.6764	1.6199	1.9125	1.7180	1.2993	1.352
RMS chiral vol	0.1266	0.1451	0.1210	0.1056	0.1390	0.0827	0.0838	0.0920
Q	0.264	0.263	0.258	0.259	0.246	0.231	0.240	0.241