Table 1 RMSF values of the basic spine residues calculated from the simulation of the wild-type and mutant proteins compared to the RMSF values converted from the experimental B-factors.

Arg.

Sub. A

Sub. B

Sub. A

Sub. B

Sub. A

Sub. B

208

0.8

0.9

0.9

0.9

0.8

0.7

229

1.1

1.0

2.3

1.1

1.0

1.1

231

0.8

0.9

0.9

1.1

1.0

1.0

248

1.4

1.4

0.8

1.5

1.1

1.1