Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.45Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.51Å | 1.50Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| CB | CG1 | doub | 1.38Å | 1.39Å | Aromatic |
| CB | CG2 | sing | 1.38Å | 1.39Å | Aromatic |
| CG1 | CD1 | sing | 1.38Å | 1.39Å | Aromatic |
| CG1 | HG1 | sing | 1.08Å | 1.10Å | |
| CG2 | CD2 | doub | 1.38Å | 1.39Å | Aromatic |
| CG2 | HG2 | sing | 1.08Å | 1.10Å | |
| CD1 | CE | doub | 1.38Å | 1.39Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.10Å | |
| CD2 | CE | sing | 1.38Å | 1.39Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.10Å | |
| CE | HE | sing | 1.08Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 111.9° | 106.7° |
| CA | N | H2 | 111.2° | 106.7° |
| N | CA | CB | 112.0° | 109.5° |
| N | CA | C | 114.1° | 109.5° |
| N | CA | HA | 106.5° | 109.4° |
| H | N | H2 | 111.3° | 106.7° |
| CB | CA | C | 115.2° | 109.5° |
| CB | CA | HA | 105.2° | 109.5° |
| CA | CB | CG1 | 120.9° | 120.0° |
| CA | CB | CG2 | 120.1° | 120.0° |
| C | CA | HA | 102.6° | 109.5° |
| CA | C | O | 117.1° | 120.0° |
| CA | C | OXT | 119.4° | 120.0° |
| CG1 | CB | CG2 | 118.9° | 120.0° |
| CB | CG1 | CD1 | 120.7° | 120.0° |
| CB | CG1 | HG1 | 119.7° | 120.0° |
| CB | CG2 | CD2 | 120.8° | 120.0° |
| CB | CG2 | HG2 | 119.6° | 120.0° |
| CD1 | CG1 | HG1 | 119.6° | 120.0° |
| CG1 | CD1 | CE | 119.8° | 120.0° |
| CG1 | CD1 | HD1 | 120.2° | 120.1° |
| CD2 | CG2 | HG2 | 119.6° | 120.0° |
| CG2 | CD2 | CE | 119.9° | 120.0° |
| CG2 | CD2 | HD2 | 120.0° | 120.0° |
| CE | CD1 | HD1 | 120.0° | 120.0° |
| CD1 | CE | CD2 | 119.8° | 120.0° |
| CD1 | CE | HE | 120.0° | 120.0° |
| CE | CD2 | HD2 | 120.1° | 120.0° |
| CD2 | CE | HE | 120.1° | 120.0° |
| O | C | OXT | 123.5° | 120.0° |
| C | OXT | HXT | 119.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.2° | 113.8° |
| N | CA | CB | C | 132.6° | 120.0° |
| N | CA | CB | HA | 115.3° | 120.0° |
| N | CA | C | HA | 114.8° | 120.0° |
| N | CA | CB | CG1 | 89.6° | 120.0° |
| N | CA | CB | CG2 | 87.2° | 60.2° |
| N | CA | C | O | 161.2° | 30.0° |
| N | CA | C | OXT | 18.2° | 150.0° |
| H | N | CA | CB | 180.0° | 173.8° |
| H | N | CA | C | 46.9° | 53.8° |
| H | N | CA | HA | 65.5° | 66.2° |
| H2 | N | CA | CB | 54.8° | 60.0° |
| H2 | N | CA | C | 78.3° | 60.0° |
| H2 | N | CA | HA | 169.2° | 180.0° |
| CB | CA | C | HA | 113.6° | 120.0° |
| CA | CB | CG1 | CG2 | 176.8° | 179.8° |
| CA | CB | CG1 | CD1 | 176.5° | 180.0° |
| CA | CB | CG1 | HG1 | 3.6° | 0.0° |
| CA | CB | CG2 | CD2 | 176.4° | 179.8° |
| CA | CB | CG2 | HG2 | 3.5° | 0.2° |
| CB | CA | C | O | 67.2° | 90.0° |
| CB | CA | C | OXT | 113.4° | 90.0° |
| C | CA | CB | CG1 | 43.0° | 120.0° |
| C | CA | CB | CG2 | 140.3° | 59.8° |
| CA | C | O | OXT | 179.4° | 180.0° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| HA | CA | CB | CG1 | 155.1° | 0.0° |
| HA | CA | CB | CG2 | 28.1° | 179.8° |
| HA | CA | C | O | 46.4° | 149.9° |
| HA | CA | C | OXT | 133.0° | 30.0° |
| CB | CG1 | CD1 | HG1 | 180.0° | 179.9° |
| CG1 | CB | CG2 | CD2 | 0.4° | 0.4° |
| CG1 | CB | CG2 | HG2 | 179.6° | 180.0° |
| CB | CG1 | CD1 | CE | 0.1° | 0.0° |
| CB | CG1 | CD1 | HD1 | 180.0° | 179.9° |
| CG2 | CB | CG1 | CD1 | 0.4° | 0.2° |
| CG2 | CB | CG1 | HG1 | 179.6° | 179.8° |
| CB | CG2 | CD2 | HG2 | 180.0° | 179.6° |
| CB | CG2 | CD2 | CE | 0.2° | 0.4° |
| CB | CG2 | CD2 | HD2 | 179.8° | 179.7° |
| CG1 | CD1 | CE | HD1 | 179.9° | 179.9° |
| CG1 | CD1 | CE | CD2 | 0.1° | 0.1° |
| CG1 | CD1 | CE | HE | 179.9° | 180.0° |
| HG1 | CG1 | CD1 | CE | 179.9° | 179.9° |
| HG1 | CG1 | CD1 | HD1 | 0.1° | 0.0° |
| CG2 | CD2 | CE | CD1 | 0.0° | 0.1° |
| CG2 | CD2 | CE | HD2 | 180.0° | 179.9° |
| CG2 | CD2 | CE | HE | 179.9° | 179.8° |
| HG2 | CG2 | CD2 | CE | 179.8° | 180.0° |
| HG2 | CG2 | CD2 | HD2 | 0.2° | 0.1° |
| CD1 | CE | CD2 | HE | 180.0° | 180.0° |
| CD1 | CE | CD2 | HD2 | 180.0° | 180.0° |
| HD1 | CD1 | CE | CD2 | 179.8° | 180.0° |
| HD1 | CD1 | CE | HE | 0.2° | 0.1° |
| HD2 | CD2 | CE | HE | 0.1° | 0.1° |
| O | C | OXT | HXT | 0.7° | 0.1° |
