. Author manuscript; available in PMC: 2012 Dec 1.

Published in final edited form as: J Comput Chem. 2011 Sep 7;32(16):3339–3353. doi: 10.1002/jcc.21873

TABLE VIII.

Global Maximum of Population Density Map. Φ and Ψ torsions are displayed in Figure 5

System	Model	NAG₁-NAG₂		NAG₂-NAG₃		NAG₃-NAG₄
		Φ	Ψ	Φ	Ψ	Φ	Ψ
	PHLB	−76	−120	–	–	–	–
(NAG)₂	CHEQ	−68	−133	–	–	–	–
	Crystal	−82	−120	–	–	–	–

	PHLB	−76	−124	−77	−121	–	–
(NAG)₃	CHEQ	−73	−129	−68	−127	–	–
	Crystal	−79	−122	−74	−125	–	–

	PHLB	−77	−122	−84	−146	−80	−129
(NAG)₄	CHEQ	−74	−136	−64	−129	−69	−122
	Crystal	−80	−114	−79	−123	−97	−134