These plots are restricted to the comparison of the nearest-neighbor couplings and of the second neighbor couplings. To avoid complications arising from a phase difference between the local modes in both calculations, we only compare the absolute values of the coupling constants. In contrast to the local-mode frequencies, we do not apply a shift by the global mean error, and instead show the unshifted data. For a quantitative comparison, Tables IV and V list the MEs, RMSDs, and R 2 for each of the considered test cases for the isolated and the solvated polypeptide models, respectively.