Table 1.
The variance captured by the first three principal components in Cartesian, 
, and dihedral,
, bases of the Nsp structures in the sublevel sets of minima below threshold energy Ut for BLN–69.
| Ut/ε | Nsp | Cartesian PCA | Dihedral PCA | ||||
|---|---|---|---|---|---|---|---|
 |
 |
 |
 |
 |
 |
||
| −95.0 | 6891 | 25.0 | 9.2 | 8.0 | 12.3 | 8.5 | 8.2 |
| −95.5 | 5973 | 25.7 | 8.9 | 8.1 | 12.5 | 8.6 | 8.4 |
| −96.0 | 5135 | 26.0 | 8.7 | 8.2 | 12.3 | 8.9 | 8.6 |
| −96.5 | 4353 | 27.4 | 8.5 | 8.2 | 12.7 | 9.2 | 9.8 |
| −97.0 | 1611 | 37.0 | 10.0 | 7.9 | 12.8 | 10.6 | 9.7 |
| −97.5 | 561 | 21.2 | 19.0 | 10.8 | 15.1 | 13.7 | 11.9 |
| −98.0 | 409 | 25.8 | 16.6 | 10.8 | 15.6 | 14.1 | 12.0 |