# dist     avg. Shake Lagrange multiplier
  2.5         0.0896372
  2.6         0.0469698
  2.7         0.0231717
  2.8         0.0100625
  2.9                          <--- Take missing value from your trajectory
  3.0        -0.000996937
  3.1        -0.00271078
  3.2        -0.00335324
  3.3        -0.00348111
  3.4        -0.00303697
  3.5        -0.00259636
  3.6        -0.00201541
  3.7        -0.00119027
  3.8        -0.000408723
  3.9        -8.19056e-05
  4.0         0.000972204
  4.1         0.00136578
  4.2         0.0016246
  4.3         0.00212447
  4.4         0.00199128
  4.5         0.00183284
  4.6         0.00188221
  4.7         0.00166909
  4.8         0.00137179
  4.9         0.00114308
  5.0         0.000671159
  5.1         0.000780625
  5.2         0.000556307
  5.3         0.000397211
  5.4         0.000237853
  5.5         0.000119549
  5.6        -0.000220194
  5.7        -0.000332539
  5.8        -0.000674227
  5.9        -0.00075852
  6.0        -0.00043128