Table 2.

Extrema of atom and charge density functions as seen in Figures 3 and 4. Locations of the extrema are given in A from the protein surface, maxima are given in units of bulk density for hydrogen and oxygen densities and in e_c Å⁻³ for charge densities. $\langle f_{\rho }^{(\text{Qstate})}\rangle (r)$ denotes an average of the X density at a distance r from the surface of the protein in charge state Qstate (e.g., “No Q” or “Q”).

Function	Location of First Maximum	Magnitude of First Maximum	Location of First Minimum	Magnitude of First Minimum	Location of Second Maximum	Magnitude of Second Maximum
$\langle {\rho }_{\text{Ox}}^{(\text{No Q})}\rangle (r)$	1.7	1.9	3.1	0.8	4.4	1.1
$\langle {\rho }_{\text{Ox}}^{(\text{Q})}\rangle (r)$	1.3	1.8	3.1	0.9	4.6	1.1
$\langle {\rho }_{\text{Hd}}^{(\text{No Q})}\rangle (r)$	1.8	1.4	3.3	0.9	4.8	1.1
$\langle {\rho }_{\text{Hd}}^{(\text{Q})}\rangle (r)$	1.5	1.5	3.1	0.9	5.0	1.0
$\langle {\rho }_{\text{Q}}^{(\text{No Q})}\rangle (r)$	1.0	0.008	1.7	−0.015	2.8	0.004
$\langle {\rho }_{\text{Q}}^{(\text{Q})}\rangle (r)$	0.3	0.011	1.2	−0.018	1.6	0.002