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Best‐fit (top) and lattice (middle) and refined (bottom) Cα carbon RMSF for the four crystal simulations and compared with experiment. Colored lines correspond to each of the four simulations (red: ff14SB, blue: C36, cyan: ff14ipq, green: ff99SB); black shows the experimental results. The colored band across the top describes the secondary structure (T: turn, E: β‐sheet, H: α‐helix, G:310 helix, B:isolated bridge).
