Table 4.

Cα-RSMD between the Rosetta-predicted lowest energy model of peptide R2.0 (Phe 28) and the experimentally determined NMR structure of R2.0

NMR structure	N-terminal 6 Cα	C-terminal 5 Cα
2	2.357	0.351
3	0.798	0.496
4	2.094	0.291
5	1.214	0.384
7	1.255	0.310
8	1.705	0.300
9	3.043	0.297
12	1.394	0.444
13	2.061	0.254
14	1.364	0.433
16	1.329	0.832
17	1.963	0.287
18	1.938	0.205
19	1.399	0.266
20	1.348	0.394
Average	1.684	0.370