Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.48Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| C2 | NE2 | sing | 1.47Å | 1.47Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| NE2 | CD2 | sing | 1.37Å | 1.33Å | Aromatic |
| NE2 | CE1 | sing | 1.35Å | 1.33Å | Aromatic |
| CD2 | CG | doub | 1.35Å | 1.31Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | ND1 | doub | 1.30Å | 1.33Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| ND1 | CG | sing | 1.34Å | 1.33Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.50Å | |
| CB | CA | sing | 1.53Å | 1.52Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | HN | 109.5° | 111.0° |
| CA | N | HNA | 109.4° | 111.0° |
| N | CA | C | 116.2° | 109.5° |
| N | CA | CB | 106.6° | 109.5° |
| N | CA | HA | 106.6° | 109.5° |
| HN | N | HNA | 109.5° | 111.0° |
| NE2 | C2 | H2 | 109.5° | 109.5° |
| NE2 | C2 | H2A | 109.5° | 109.5° |
| NE2 | C2 | H2B | 109.4° | 109.4° |
| C2 | NE2 | CD2 | 119.1° | 126.4° |
| C2 | NE2 | CE1 | 132.1° | 126.4° |
| H2 | C2 | H2A | 109.5° | 109.4° |
| H2 | C2 | H2B | 109.4° | 109.5° |
| H2A | C2 | H2B | 109.5° | 109.5° |
| CA | C | O | 120.5° | 120.0° |
| CA | C | OXT | 119.8° | 120.0° |
| C | CA | CB | 108.3° | 109.5° |
| C | CA | HA | 104.8° | 109.5° |
| O | C | OXT | 119.8° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| CD2 | NE2 | CE1 | 108.5° | 107.2° |
| NE2 | CD2 | CG | 107.3° | 106.8° |
| NE2 | CD2 | HD2 | 126.3° | 126.6° |
| NE2 | CE1 | ND1 | 107.5° | 108.7° |
| NE2 | CE1 | HE1 | 126.3° | 125.6° |
| CG | CD2 | HD2 | 126.3° | 126.6° |
| CD2 | CG | ND1 | 109.1° | 108.1° |
| CD2 | CG | CB | 124.4° | 126.0° |
| ND1 | CE1 | HE1 | 126.3° | 125.6° |
| CE1 | ND1 | CG | 107.5° | 109.2° |
| ND1 | CG | CB | 126.5° | 126.0° |
| CG | CB | CA | 107.7° | 109.5° |
| CG | CB | HB | 110.0° | 109.5° |
| CG | CB | HBA | 110.4° | 109.5° |
| CA | CB | HB | 110.1° | 109.5° |
| CA | CB | HBA | 110.4° | 109.4° |
| CB | CA | HA | 114.7° | 109.4° |
| HB | CB | HBA | 108.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | HN | HNA | 120.0° | 123.9° |
| N | CA | C | CB | 119.9° | 120.1° |
| N | CA | C | HA | 117.3° | 120.0° |
| N | CA | C | O | 162.1° | 20.1° |
| N | CA | C | OXT | 17.8° | 160.0° |
| N | CA | CB | CG | 58.5° | 64.9° |
| N | CA | CB | HA | 117.7° | 120.0° |
| N | CA | CB | HB | 178.5° | 175.0° |
| N | CA | CB | HBA | 62.2° | 55.1° |
| HN | N | CA | C | 125.7° | 63.9° |
| HN | N | CA | CB | 113.5° | 176.0° |
| HN | N | CA | HA | 9.4° | 56.1° |
| HNA | N | CA | C | 5.7° | 60.0° |
| HNA | N | CA | CB | 126.5° | 60.0° |
| HNA | N | CA | HA | 110.6° | 180.0° |
| NE2 | C2 | H2 | H2A | 120.0° | 120.0° |
| NE2 | C2 | H2 | H2B | 120.0° | 120.0° |
| NE2 | C2 | H2A | H2B | 120.0° | 120.0° |
| C2 | NE2 | CD2 | CE1 | 174.6° | 179.7° |
| C2 | NE2 | CD2 | CG | 177.5° | 180.0° |
| C2 | NE2 | CD2 | HD2 | 2.5° | 0.1° |
| C2 | NE2 | CE1 | ND1 | 177.5° | 180.0° |
| C2 | NE2 | CE1 | HE1 | 2.5° | 0.0° |
| H2 | C2 | H2A | H2B | 120.0° | 120.0° |
| H2 | C2 | NE2 | CD2 | 67.7° | 90.0° |
| H2 | C2 | NE2 | CE1 | 119.3° | 90.3° |
| H2A | C2 | NE2 | CD2 | 52.3° | 150.0° |
| H2A | C2 | NE2 | CE1 | 120.7° | 29.7° |
| H2B | C2 | NE2 | CD2 | 172.3° | 30.0° |
| H2B | C2 | NE2 | CE1 | 0.7° | 149.7° |
| CA | C | O | OXT | 180.0° | 179.9° |
| C | CA | CB | CG | 175.7° | 175.0° |
| C | CA | CB | HA | 116.6° | 120.0° |
| C | CA | CB | HB | 55.8° | 54.9° |
| C | CA | CB | HBA | 63.6° | 65.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| O | C | CA | CB | 78.0° | 100.0° |
| O | C | CA | HA | 44.8° | 140.1° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| OXT | C | CA | CB | 102.0° | 79.9° |
| OXT | C | CA | HA | 135.1° | 40.0° |
| NE2 | CD2 | CG | HD2 | 180.0° | 180.0° |
| CD2 | NE2 | CE1 | ND1 | 3.9° | 0.3° |
| CD2 | NE2 | CE1 | HE1 | 176.1° | 179.7° |
| NE2 | CD2 | CG | ND1 | 0.9° | 0.2° |
| NE2 | CD2 | CG | CB | 176.6° | 180.0° |
| CE1 | NE2 | CD2 | CG | 3.0° | 0.3° |
| CE1 | NE2 | CD2 | HD2 | 177.1° | 179.8° |
| NE2 | CE1 | ND1 | HE1 | 180.0° | 180.0° |
| NE2 | CE1 | ND1 | CG | 3.3° | 0.2° |
| CD2 | CG | ND1 | CE1 | 1.5° | 0.0° |
| CD2 | CG | ND1 | CB | 177.5° | 179.9° |
| CD2 | CG | CB | CA | 99.4° | 125.0° |
| CD2 | CG | CB | HB | 140.6° | 115.0° |
| CD2 | CG | CB | HBA | 21.3° | 5.0° |
| HD2 | CD2 | CG | ND1 | 179.1° | 179.9° |
| HD2 | CD2 | CG | CB | 3.3° | 0.0° |
| CE1 | ND1 | CG | CB | 179.0° | 179.9° |
| HE1 | CE1 | ND1 | CG | 176.7° | 179.8° |
| ND1 | CG | CB | CA | 77.7° | 54.9° |
| ND1 | CG | CB | HB | 42.3° | 65.1° |
| ND1 | CG | CB | HBA | 161.6° | 174.8° |
| CG | CB | CA | HB | 120.0° | 120.1° |
| CG | CB | CA | HBA | 120.7° | 120.0° |
| CG | CB | HB | HBA | 120.7° | 120.0° |
| CG | CB | CA | HA | 59.1° | 55.0° |
| CA | CB | HB | HBA | 120.7° | 119.9° |
| HB | CB | CA | HA | 60.8° | 65.0° |
| HBA | CB | CA | HA | 179.8° | 175.0° |
