PFF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.44Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.03Å | |
| N | H2 | sing | 1.01Å | 1.03Å | |
| CA | C | sing | 1.52Å | 1.49Å | |
| CA | CB | sing | 1.53Å | 1.51Å | |
| CA | HA | sing | 1.10Å | 1.10Å | |
| C | O | doub | 1.23Å | 1.22Å | |
| C | OXT | sing | 1.36Å | 56.63Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å | |
| CB | CG | sing | 1.51Å | 1.48Å | |
| CB | HB2 | sing | 1.10Å | 1.10Å | |
| CB | HB3 | sing | 1.10Å | 1.10Å | |
| CG | CD1 | doub | 1.38Å | 1.38Å | Aromatic |
| CG | CD2 | sing | 1.39Å | 1.39Å | Aromatic |
| CD1 | CE1 | sing | 1.40Å | 1.39Å | Aromatic |
| CD1 | HD1 | sing | 1.09Å | 1.06Å | |
| CD2 | CE2 | doub | 1.40Å | 1.39Å | Aromatic |
| CD2 | HD2 | sing | 1.09Å | 1.06Å | |
| CE1 | CZ | doub | 1.39Å | 1.39Å | Aromatic |
| CE1 | HE1 | sing | 1.09Å | 1.06Å | |
| CE2 | CZ | sing | 1.39Å | 1.38Å | Aromatic |
| CE2 | HE2 | sing | 1.09Å | 1.06Å | |
| CZ | F | sing | 1.34Å | 1.35Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 119.0° |
| CA | N | H2 | 109.5° | 119.0° |
| N | CA | C | 112.4° | 111.1° |
| N | CA | CB | 111.6° | 111.1° |
| N | CA | HA | 104.7° | 106.3° |
| H | N | H2 | 109.5° | 120.6° |
| C | CA | CB | 105.5° | 109.9° |
| C | CA | HA | 110.9° | 106.9° |
| CA | C | O | 120.9° | 123.0° |
| CA | C | OXT | 32.1° | 114.9° |
| CB | CA | HA | 111.7° | 111.4° |
| CA | CB | CG | 119.6° | 113.0° |
| CA | CB | HB2 | 106.9° | 110.4° |
| CA | CB | HB3 | 103.5° | 110.2° |
| O | C | OXT | 152.8° | 122.2° |
| C | OXT | HXT | 32.1° | 114.8° |
| CG | CB | HB2 | 106.9° | 108.1° |
| CG | CB | HB3 | 103.5° | 109.7° |
| CB | CG | CD1 | 116.2° | 119.4° |
| CB | CG | CD2 | 116.2° | 119.3° |
| HB2 | CB | HB3 | 117.1° | 105.2° |
| CD1 | CG | CD2 | 118.6° | 121.4° |
| CG | CD1 | CE1 | 120.3° | 119.4° |
| CG | CD1 | HD1 | 119.8° | 121.2° |
| CG | CD2 | CE2 | 121.2° | 119.3° |
| CG | CD2 | HD2 | 119.4° | 121.2° |
| CE1 | CD1 | HD1 | 119.8° | 119.4° |
| CD1 | CE1 | CZ | 120.6° | 120.0° |
| CD1 | CE1 | HE1 | 119.7° | 120.0° |
| CE2 | CD2 | HD2 | 119.4° | 119.5° |
| CD2 | CE2 | CZ | 119.8° | 120.0° |
| CD2 | CE2 | HE2 | 120.1° | 120.0° |
| CZ | CE1 | HE1 | 119.7° | 120.0° |
| CE1 | CZ | CE2 | 119.2° | 120.0° |
| CE1 | CZ | F | 120.2° | 120.0° |
| CZ | CE2 | HE2 | 120.1° | 120.0° |
| CE2 | CZ | F | 120.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 166.4° |
| N | CA | C | CB | 121.9° | 123.5° |
| N | CA | C | HA | 116.9° | 115.5° |
| N | CA | CB | HA | 116.9° | 118.3° |
| N | CA | C | O | 159.4° | 34.5° |
| N | CA | C | OXT | 16.5° | 145.1° |
| N | CA | CB | CG | 87.0° | 158.2° |
| N | CA | CB | HB2 | 34.5° | 37.1° |
| N | CA | CB | HB3 | 158.6° | 78.7° |
| H | N | CA | C | 174.8° | 92.9° |
| H | N | CA | CB | 56.4° | 144.3° |
| H | N | CA | HA | 64.7° | 23.0° |
| H2 | N | CA | C | 65.2° | 100.5° |
| H2 | N | CA | CB | 176.4° | 22.3° |
| H2 | N | CA | HA | 55.3° | 143.6° |
| C | CA | CB | HA | 120.6° | 118.3° |
| CA | C | O | OXT | 4.8° | 179.5° |
| CA | C | OXT | HXT | 179.9° | 179.6° |
| C | CA | CB | CG | 150.6° | 78.3° |
| C | CA | CB | HB2 | 88.0° | 160.6° |
| C | CA | CB | HB3 | 36.2° | 44.8° |
| CB | CA | C | O | 37.4° | 89.0° |
| CB | CA | C | OXT | 138.5° | 91.5° |
| CA | CB | CG | HB2 | 121.4° | 122.4° |
| CA | CB | CG | HB3 | 114.4° | 123.4° |
| CA | CB | HB2 | HB3 | 115.4° | 118.9° |
| CA | CB | CG | CD1 | 101.0° | 90.0° |
| CA | CB | CG | CD2 | 46.0° | 90.0° |
| HA | CA | C | O | 83.8° | 150.0° |
| HA | CA | C | OXT | 100.4° | 29.5° |
| HA | CA | CB | CG | 30.0° | 40.0° |
| HA | CA | CB | HB2 | 151.4° | 81.2° |
| HA | CA | CB | HB3 | 84.4° | 163.0° |
| O | C | OXT | HXT | 172.3° | 0.1° |
| CG | CB | HB2 | HB3 | 115.4° | 117.1° |
| CB | CG | CD1 | CD2 | 146.1° | 180.0° |
| CB | CG | CD1 | CE1 | 141.1° | 180.0° |
| CB | CG | CD1 | HD1 | 38.9° | 0.0° |
| CB | CG | CD2 | CE2 | 142.6° | 180.0° |
| CB | CG | CD2 | HD2 | 37.4° | 0.0° |
| HB2 | CB | CG | CD1 | 20.5° | 147.6° |
| HB2 | CB | CG | CD2 | 167.4° | 32.5° |
| HB3 | CB | CG | CD1 | 144.6° | 33.4° |
| HB3 | CB | CG | CD2 | 68.4° | 146.7° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 3.5° | 0.0° |
| CD1 | CG | CD2 | HD2 | 176.5° | 180.0° |
| CG | CD1 | CE1 | CZ | 4.6° | 0.0° |
| CG | CD1 | CE1 | HE1 | 175.4° | 180.0° |
| CD2 | CG | CD1 | CE1 | 5.0° | 0.0° |
| CD2 | CG | CD1 | HD1 | 175.0° | 180.0° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CZ | 1.5° | 0.0° |
| CG | CD2 | CE2 | HE2 | 178.5° | 180.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 2.5° | 0.0° |
| CD1 | CE1 | CZ | F | 177.9° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 175.4° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 4.6° | 0.0° |
| CD2 | CE2 | CZ | CE1 | 1.0° | 0.0° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | F | 179.4° | 180.0° |
| HD2 | CD2 | CE2 | CZ | 178.5° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 1.5° | 0.0° |
| CE1 | CZ | CE2 | F | 179.6° | 180.0° |
| CE1 | CZ | CE2 | HE2 | 179.0° | 180.0° |
| HE1 | CE1 | CZ | CE2 | 177.5° | 180.0° |
| HE1 | CE1 | CZ | F | 2.1° | 0.0° |
| HE2 | CE2 | CZ | F | 0.5° | 0.0° |
