Table 2:

Apparent ${\text{pK}}_{\text{a}}$ values calculated using $q$-canonical sampling for ionizable residues within ${\text{E}}_{\text{4}}{\text{K}}_{\text{4}}$ and NTL9_12–23.

E 4 K 4	Residue	Apparent pK a	NTL9 12–23	Residue	Apparent pK a
	E1	4.11		K12	10.00
	E2	4.98		K14	9.74
	E3	5.04		K15	9.80
	E4	4.88		E17	4.45
	K5	10.77		K19	10.00
	K6	10.72		D23	4.34
	K7	10.70
	K8	10.72