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. Author manuscript; available in PMC: 2019 Dec 1.
Published in final edited form as: Proteins. 2018 Oct 26;86(12):1277–1283. doi: 10.1002/prot.25608

Table III:

RMSD for each residue type

GLU ASP HIS LYS
Total number 258 275 111 109
Calc. pKa at I=0.15 0.70 0.75 1.08 0.39
Calc. pKa at I=0 0.91 0.92 1.06 0.94
Null-model 1.04 0.93 1.21 0.49