HF2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.22Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| CA | OA | sing | 1.43Å | 1.43Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| OA | HOA | sing | 0.97Å | 0.95Å | |
| CB | CG | sing | 1.51Å | 1.51Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CG | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
| CZ | CE1 | doub | 1.38Å | 1.39Å | Aromatic |
| CZ | CE2 | sing | 1.38Å | 1.39Å | Aromatic |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| CD1 | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE2 | doub | 1.38Å | 1.39Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 115.5° | 120.0° |
| O | C | OXT | 122.3° | 120.0° |
| CA | C | OXT | 122.2° | 120.0° |
| C | CA | OA | 111.5° | 109.5° |
| C | CA | CB | 112.9° | 109.5° |
| C | CA | HA | 105.0° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| OA | CA | CB | 107.4° | 109.5° |
| OA | CA | HA | 110.8° | 109.4° |
| CA | OA | HOA | 109.5° | 113.9° |
| CB | CA | HA | 109.3° | 109.5° |
| CA | CB | CG | 107.1° | 109.5° |
| CA | CB | HB | 110.3° | 109.5° |
| CA | CB | HBA | 110.3° | 109.5° |
| CG | CB | HB | 110.3° | 109.5° |
| CG | CB | HBA | 110.3° | 109.5° |
| CB | CG | CD1 | 120.0° | 120.0° |
| CB | CG | CD2 | 120.4° | 120.0° |
| HB | CB | HBA | 108.7° | 109.5° |
| CD1 | CG | CD2 | 119.6° | 120.0° |
| CG | CD1 | CE1 | 120.2° | 120.1° |
| CG | CD1 | HD1 | 119.9° | 120.0° |
| CG | CD2 | CE2 | 120.1° | 120.0° |
| CG | CD2 | HD2 | 119.9° | 120.0° |
| CE1 | CZ | CE2 | 119.6° | 120.0° |
| CE1 | CZ | HZ | 120.2° | 120.1° |
| CZ | CE1 | CD1 | 120.2° | 120.0° |
| CZ | CE1 | HE1 | 119.9° | 120.0° |
| CE2 | CZ | HZ | 120.2° | 120.0° |
| CZ | CE2 | CD2 | 120.3° | 120.0° |
| CZ | CE2 | HE2 | 119.9° | 120.0° |
| CE1 | CD1 | HD1 | 119.9° | 120.0° |
| CD1 | CE1 | HE1 | 119.9° | 120.0° |
| CE2 | CD2 | HD2 | 120.0° | 120.0° |
| CD2 | CE2 | HE2 | 119.8° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 180.0° | 179.7° |
| O | C | CA | OA | 10.4° | 5.0° |
| O | C | CA | CB | 110.6° | 115.0° |
| O | C | CA | HA | 130.4° | 125.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | CA | OA | CB | 124.2° | 120.0° |
| C | CA | OA | HA | 116.5° | 120.0° |
| C | CA | CB | HA | 116.4° | 120.0° |
| C | CA | OA | HOA | 5.0° | 60.0° |
| C | CA | CB | CG | 104.7° | 175.0° |
| C | CA | CB | HB | 15.3° | 55.0° |
| C | CA | CB | HBA | 135.3° | 65.0° |
| CA | C | OXT | HXT | 179.9° | 179.7° |
| OXT | C | CA | OA | 169.5° | 174.7° |
| OXT | C | CA | CB | 69.4° | 65.3° |
| OXT | C | CA | HA | 49.5° | 54.7° |
| OA | CA | CB | HA | 120.2° | 119.9° |
| OA | CA | CB | CG | 132.0° | 65.0° |
| OA | CA | CB | HB | 108.0° | 175.0° |
| OA | CA | CB | HBA | 12.0° | 55.0° |
| CB | CA | OA | HOA | 119.2° | 60.0° |
| CA | CB | CG | HB | 120.0° | 120.0° |
| CA | CB | CG | HBA | 120.0° | 120.0° |
| CA | CB | HB | HBA | 121.0° | 120.0° |
| CA | CB | CG | CD1 | 149.7° | 90.0° |
| CA | CB | CG | CD2 | 29.6° | 90.3° |
| HA | CA | OA | HOA | 121.5° | 180.0° |
| HA | CA | CB | CG | 11.8° | 55.0° |
| HA | CA | CB | HB | 131.7° | 65.0° |
| HA | CA | CB | HBA | 108.2° | 175.0° |
| CG | CB | HB | HBA | 121.0° | 120.0° |
| CB | CG | CD1 | CD2 | 179.3° | 179.7° |
| CB | CG | CD1 | CE1 | 179.5° | 180.0° |
| CB | CG | CD1 | HD1 | 0.5° | 0.0° |
| CB | CG | CD2 | CE2 | 179.0° | 180.0° |
| CB | CG | CD2 | HD2 | 1.0° | 0.0° |
| HB | CB | CG | CD1 | 29.7° | 30.0° |
| HB | CB | CG | CD2 | 149.5° | 149.7° |
| HBA | CB | CG | CD1 | 90.3° | 150.0° |
| HBA | CB | CG | CD2 | 90.4° | 29.7° |
| CG | CD1 | CE1 | CZ | 0.3° | 0.0° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.3° | 0.2° |
| CD1 | CG | CD2 | HD2 | 179.7° | 179.7° |
| CG | CD1 | CE1 | HE1 | 179.7° | 179.8° |
| CG | CD2 | CE2 | CZ | 0.7° | 0.0° |
| CD2 | CG | CD1 | CE1 | 0.2° | 0.3° |
| CD2 | CG | CD1 | HD1 | 179.8° | 179.8° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.9° |
| CG | CD2 | CE2 | HE2 | 179.2° | 179.7° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.8° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 179.8° |
| CZ | CE1 | CD1 | HD1 | 179.6° | 180.0° |
| CE1 | CZ | CE2 | CD2 | 0.6° | 0.3° |
| CE1 | CZ | CE2 | HE2 | 179.4° | 180.0° |
| CE2 | CZ | CE1 | CD1 | 0.1° | 0.2° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 179.7° |
| CZ | CE2 | CD2 | HD2 | 179.3° | 180.0° |
| CE2 | CZ | CE1 | HE1 | 179.9° | 180.0° |
| HZ | CZ | CE1 | CD1 | 179.9° | 179.9° |
| HZ | CZ | CE2 | CD2 | 179.4° | 179.9° |
| HZ | CZ | CE1 | HE1 | 0.1° | 0.2° |
| HZ | CZ | CE2 | HE2 | 0.6° | 0.2° |
| HD1 | CD1 | CE1 | HE1 | 0.4° | 0.2° |
| HD2 | CD2 | CE2 | HE2 | 0.8° | 0.3° |
