Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | CN | sing | 1.47Å | 1.50Å | |
| N | HN | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | HA1 | sing | 1.09Å | 1.11Å | |
| CA | HA2 | sing | 1.09Å | 1.12Å | |
| C | O | doub | 1.21Å | 1.35Å | |
| C | OXT | sing | 1.34Å | 1.24Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CN | HN1 | sing | 1.09Å | 1.12Å | |
| CN | HN2 | sing | 1.09Å | 1.11Å | |
| CN | HN3 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | CN | 116.7° | 106.7° |
| CA | N | HN | 109.6° | 106.7° |
| N | CA | C | 111.8° | 109.5° |
| N | CA | HA1 | 111.4° | 109.5° |
| N | CA | HA2 | 111.4° | 109.4° |
| CN | N | HN | 109.6° | 106.7° |
| N | CN | HN1 | 116.7° | 109.5° |
| N | CN | HN2 | 109.6° | 109.5° |
| N | CN | HN3 | 109.6° | 109.5° |
| C | CA | HA1 | 111.3° | 109.5° |
| C | CA | HA2 | 111.3° | 109.4° |
| CA | C | O | 122.1° | 120.0° |
| CA | C | OXT | 117.8° | 120.0° |
| HA1 | CA | HA2 | 99.0° | 109.5° |
| O | C | OXT | 120.1° | 120.0° |
| C | OXT | HXT | 117.7° | 120.0° |
| HN1 | CN | HN2 | 109.7° | 109.5° |
| HN1 | CN | HN3 | 109.6° | 109.5° |
| HN2 | CN | HN3 | 100.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | CN | HN | 125.3° | 113.8° |
| N | CA | C | HA1 | 125.3° | 120.0° |
| N | CA | C | HA2 | 125.2° | 119.9° |
| N | CA | HA1 | HA2 | 117.3° | 120.0° |
| N | CA | C | O | 65.4° | 0.1° |
| N | CA | C | OXT | 115.5° | 180.0° |
| CA | N | CN | HN1 | 180.0° | 180.0° |
| CA | N | CN | HN2 | 54.7° | 60.0° |
| CA | N | CN | HN3 | 54.8° | 60.0° |
| CN | N | CA | C | 48.2° | 180.0° |
| CN | N | CA | HA1 | 77.0° | 60.0° |
| CN | N | CA | HA2 | 173.4° | 60.0° |
| N | CN | HN1 | HN2 | 125.3° | 120.0° |
| N | CN | HN1 | HN3 | 125.2° | 120.0° |
| N | CN | HN2 | HN3 | 115.4° | 120.0° |
| HN | N | CA | C | 173.5° | 66.1° |
| HN | N | CA | HA1 | 48.3° | 173.8° |
| HN | N | CA | HA2 | 61.3° | 53.8° |
| HN | N | CN | HN1 | 54.7° | 66.2° |
| HN | N | CN | HN2 | 70.6° | 53.8° |
| HN | N | CN | HN3 | 180.0° | 173.8° |
| C | CA | HA1 | HA2 | 117.2° | 120.0° |
| CA | C | O | OXT | 179.1° | 179.9° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| HA1 | CA | C | O | 169.3° | 120.0° |
| HA1 | CA | C | OXT | 9.8° | 59.9° |
| HA2 | CA | C | O | 59.9° | 120.0° |
| HA2 | CA | C | OXT | 119.3° | 60.1° |
| O | C | OXT | HXT | 0.9° | 0.0° |
| HN1 | CN | HN2 | HN3 | 115.4° | 120.0° |
