There can be higher scoring, and more attracted to the protein, epitopes but not located specifically in the cavity to result in inhibition; examples are the outliers at high score in the resistant S197 strain. In the section the cluster of epitopes is examined from the full set of docking runs, and it is clear that with one amino acid change from a Proline to Serine that the binding goes from selective and confined in a small portion of the cavity to a much larger region extending to the boundaries and slightly beyond the cavity. RMSD calculations about the tight bunch of closely high scoring epitopes quantify the delocalization. There is a raw RMSD quantity that measures the difference between 2 docked ligands,