51T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.49Å | |
| N | CA | sing | 1.47Å | 1.43Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CB | CG | sing | 1.51Å | 1.54Å | |
| F6 | CD2 | sing | 1.35Å | 1.27Å | |
| CG | CD2 | doub | 1.38Å | 1.40Å | Aromatic |
| CG | CD1 | sing | 1.39Å | 1.38Å | Aromatic |
| CD2 | CE2 | sing | 1.38Å | 1.39Å | Aromatic |
| F2 | CD1 | sing | 1.35Å | 1.30Å | |
| CD1 | CE1 | doub | 1.38Å | 1.40Å | Aromatic |
| CE2 | CZ | doub | 1.39Å | 1.37Å | Aromatic |
| CE1 | CZ | sing | 1.39Å | 1.39Å | Aromatic |
| CE1 | F3 | sing | 1.35Å | 1.37Å | |
| CZ | OH | sing | 1.36Å | 1.40Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| CE2 | H8 | sing | 1.08Å | 1.08Å | |
| OH | H9 | sing | 0.97Å | 0.95Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 119.3° | 120.0° |
| O | C | OXT | 122.8° | 120.0° |
| C | CA | N | 110.6° | 109.4° |
| C | CA | CB | 111.1° | 109.4° |
| C | CA | HA | 107.3° | 109.5° |
| CA | C | OXT | 117.8° | 120.0° |
| N | CA | CB | 112.5° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 108.1° | 109.5° |
| CA | CB | CG | 117.6° | 109.5° |
| CB | CA | HA | 107.0° | 109.5° |
| CA | CB | H6 | 107.4° | 109.5° |
| CA | CB | H7 | 107.4° | 109.5° |
| CB | CG | CD2 | 119.1° | 120.0° |
| CB | CG | CD1 | 121.4° | 119.9° |
| CG | CB | H6 | 107.4° | 109.4° |
| CG | CB | H7 | 107.4° | 109.5° |
| F6 | CD2 | CG | 119.8° | 119.9° |
| F6 | CD2 | CE2 | 119.5° | 120.0° |
| CD2 | CG | CD1 | 119.5° | 120.0° |
| CG | CD2 | CE2 | 120.8° | 120.1° |
| CG | CD1 | F2 | 120.9° | 120.0° |
| CG | CD1 | CE1 | 119.8° | 120.0° |
| CD2 | CE2 | CZ | 120.0° | 120.0° |
| CD2 | CE2 | H8 | 120.0° | 120.0° |
| F2 | CD1 | CE1 | 119.3° | 120.0° |
| CD1 | CE1 | CZ | 120.3° | 120.0° |
| CD1 | CE1 | F3 | 120.1° | 120.0° |
| CE2 | CZ | CE1 | 119.8° | 119.9° |
| CE2 | CZ | OH | 119.9° | 120.1° |
| CZ | CE2 | H8 | 120.0° | 120.0° |
| CZ | CE1 | F3 | 119.6° | 120.0° |
| CE1 | CZ | OH | 120.4° | 120.0° |
| CZ | OH | H9 | 109.5° | 114.0° |
| H | N | H2 | 109.5° | 111.0° |
| H6 | CB | H7 | 109.5° | 109.4° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 179.7° | 179.9° |
| O | C | CA | N | 144.4° | 20.0° |
| O | C | CA | CB | 89.9° | 100.0° |
| O | C | CA | HA | 26.7° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | CA | N | CB | 124.9° | 120.0° |
| C | CA | N | HA | 117.2° | 120.0° |
| C | CA | CB | HA | 116.9° | 120.0° |
| C | CA | CB | CG | 179.1° | 175.1° |
| C | CA | N | H | 180.0° | 64.0° |
| C | CA | N | H2 | 60.0° | 60.0° |
| C | CA | CB | H6 | 59.8° | 65.0° |
| C | CA | CB | H7 | 57.9° | 55.0° |
| CA | C | OXT | HXT | 179.7° | 180.0° |
| N | CA | CB | HA | 118.5° | 120.0° |
| N | CA | CB | CG | 56.3° | 65.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | H6 | 64.8° | 55.0° |
| N | CA | CB | H7 | 177.5° | 175.0° |
| N | CA | C | OXT | 35.3° | 160.0° |
| CA | CB | CG | H6 | 121.1° | 120.0° |
| CA | CB | CG | H7 | 121.1° | 120.1° |
| CA | CB | CG | CD2 | 127.1° | 90.0° |
| CA | CB | CG | CD1 | 52.9° | 89.7° |
| CB | CA | N | H | 55.1° | 176.1° |
| CB | CA | N | H2 | 175.1° | 60.0° |
| CA | CB | H6 | H7 | 116.3° | 120.1° |
| CB | CA | C | OXT | 90.4° | 80.0° |
| CB | CG | CD2 | F6 | 0.3° | 0.0° |
| CB | CG | CD2 | CD1 | 180.0° | 179.7° |
| CB | CG | CD2 | CE2 | 179.8° | 180.0° |
| CB | CG | CD1 | F2 | 0.2° | 0.1° |
| CB | CG | CD1 | CE1 | 179.8° | 180.0° |
| CG | CB | CA | HA | 62.2° | 55.1° |
| CG | CB | H6 | H7 | 116.3° | 120.0° |
| F6 | CD2 | CG | CE2 | 179.8° | 179.9° |
| F6 | CD2 | CG | CD1 | 179.7° | 179.7° |
| F6 | CD2 | CE2 | CZ | 179.8° | 180.0° |
| F6 | CD2 | CE2 | H8 | 0.2° | 0.0° |
| CD2 | CG | CD1 | F2 | 179.8° | 179.8° |
| CD2 | CG | CD1 | CE1 | 0.2° | 0.3° |
| CG | CD2 | CE2 | CZ | 0.0° | 0.0° |
| CD2 | CG | CB | H6 | 6.0° | 30.0° |
| CD2 | CG | CB | H7 | 111.7° | 149.9° |
| CG | CD2 | CE2 | H8 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.1° | 0.2° |
| CG | CD1 | F2 | CE1 | 180.0° | 180.0° |
| CG | CD1 | CE1 | CZ | 0.1° | 0.0° |
| CG | CD1 | CE1 | F3 | 180.0° | 180.0° |
| CD1 | CG | CB | H6 | 174.0° | 150.3° |
| CD1 | CG | CB | H7 | 68.3° | 30.3° |
| CD2 | CE2 | CZ | H8 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | CE1 | 0.0° | 0.3° |
| CD2 | CE2 | CZ | OH | 180.0° | 180.0° |
| F2 | CD1 | CE1 | CZ | 179.8° | 180.0° |
| F2 | CD1 | CE1 | F3 | 0.1° | 0.0° |
| CD1 | CE1 | CZ | CE2 | 0.0° | 0.3° |
| CD1 | CE1 | CZ | F3 | 179.9° | 180.0° |
| CD1 | CE1 | CZ | OH | 180.0° | 180.0° |
| CE2 | CZ | CE1 | OH | 180.0° | 179.7° |
| CE2 | CZ | CE1 | F3 | 179.9° | 179.8° |
| CE2 | CZ | OH | H9 | 180.0° | 89.7° |
| CE1 | CZ | CE2 | H8 | 180.0° | 179.7° |
| CE1 | CZ | OH | H9 | 0.0° | 90.1° |
| F3 | CE1 | CZ | OH | 0.1° | 0.0° |
| OH | CZ | CE2 | H8 | 0.0° | 0.0° |
| H | N | CA | HA | 62.8° | 56.0° |
| H2 | N | CA | HA | 57.2° | 180.0° |
| HA | CA | CB | H6 | 176.6° | 175.0° |
| HA | CA | CB | H7 | 58.9° | 65.0° |
| HA | CA | C | OXT | 153.0° | 40.0° |
