Figure 6.

Ensemble averaged properties calculated during the 4th ns of simulations with I-NtrC^r (black), P-NtrC^r (blue), and ${\text{BeF}}_3^{-}-{\text{NtrC}}^r$ (red). A) Ensemble averages RMSDs between the initial structure and simulation snapshots, B) RMSFs of average structures of individual simulations, C) Ensemble average of RMSFs of individual simulations.