Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.44Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | C | sing | 1.53Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O1 | sing | 1.43Å | 1.50Å | |
| C | O2 | sing | 1.43Å | 1.50Å | |
| C | HC | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| CB | CG | sing | 1.51Å | 1.51Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | doub | 1.38Å | 1.40Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE2 | doub | 1.38Å | 1.40Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ | doub | 1.38Å | 1.40Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | CZ | sing | 1.38Å | 1.39Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | C | 112.1° | 109.5° |
| N | CA | CB | 107.8° | 109.5° |
| N | CA | HA | 109.6° | 109.4° |
| H | N | H2 | 109.5° | 111.0° |
| C | CA | CB | 111.5° | 109.5° |
| C | CA | HA | 105.7° | 109.5° |
| CA | C | O1 | 108.3° | 109.5° |
| CA | C | O2 | 107.1° | 109.4° |
| CA | C | HC | 112.1° | 109.4° |
| CB | CA | HA | 110.2° | 109.5° |
| CA | CB | CG | 111.5° | 109.5° |
| CA | CB | HB2 | 108.8° | 109.5° |
| CA | CB | HB3 | 108.3° | 109.4° |
| O1 | C | O2 | 110.4° | 109.5° |
| O1 | C | HC | 108.8° | 109.5° |
| C | O1 | HO1 | 109.5° | 114.0° |
| O2 | C | HC | 110.1° | 109.4° |
| C | O2 | HO2 | 109.5° | 114.0° |
| CG | CB | HB2 | 108.8° | 109.5° |
| CG | CB | HB3 | 108.3° | 109.5° |
| CB | CG | CD1 | 119.9° | 120.0° |
| CB | CG | CD2 | 121.5° | 120.0° |
| HB2 | CB | HB3 | 111.1° | 109.5° |
| CD1 | CG | CD2 | 118.5° | 120.0° |
| CG | CD1 | CE1 | 121.5° | 120.0° |
| CG | CD1 | HD1 | 119.3° | 120.0° |
| CG | CD2 | CE2 | 120.6° | 120.0° |
| CG | CD2 | HD2 | 119.7° | 120.0° |
| CE1 | CD1 | HD1 | 119.2° | 120.0° |
| CD1 | CE1 | CZ | 119.3° | 120.0° |
| CD1 | CE1 | HE1 | 120.4° | 120.0° |
| CE2 | CD2 | HD2 | 119.7° | 120.0° |
| CD2 | CE2 | CZ | 119.9° | 120.0° |
| CD2 | CE2 | HE2 | 120.1° | 120.0° |
| CZ | CE1 | HE1 | 120.4° | 120.0° |
| CE1 | CZ | CE2 | 120.2° | 120.0° |
| CE1 | CZ | HZ | 119.9° | 120.0° |
| CZ | CE2 | HE2 | 120.1° | 120.1° |
| CE2 | CZ | HZ | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | C | CB | 121.0° | 120.0° |
| N | CA | C | HA | 119.3° | 119.9° |
| N | CA | CB | HA | 119.5° | 119.9° |
| N | CA | C | O1 | 60.4° | 60.0° |
| N | CA | C | O2 | 58.7° | 180.0° |
| N | CA | C | HC | 179.5° | 60.1° |
| N | CA | CB | CG | 66.8° | 65.0° |
| N | CA | CB | HB2 | 53.2° | 55.1° |
| N | CA | CB | HB3 | 174.1° | 175.0° |
| H | N | CA | C | 61.5° | 60.0° |
| H | N | CA | CB | 175.5° | 60.0° |
| H | N | CA | HA | 55.6° | 180.0° |
| H2 | N | CA | C | 58.5° | 176.1° |
| H2 | N | CA | CB | 64.5° | 63.9° |
| H2 | N | CA | HA | 175.6° | 56.1° |
| C | CA | CB | HA | 117.1° | 120.0° |
| CA | C | O1 | O2 | 116.9° | 120.0° |
| CA | C | O1 | HC | 122.1° | 120.0° |
| CA | C | O2 | HC | 122.1° | 119.9° |
| CA | C | O1 | HO1 | 24.7° | 180.0° |
| CA | C | O2 | HO2 | 128.1° | 60.1° |
| C | CA | CB | CG | 169.8° | 175.0° |
| C | CA | CB | HB2 | 70.2° | 65.0° |
| C | CA | CB | HB3 | 50.7° | 55.0° |
| CB | CA | C | O1 | 60.6° | 180.0° |
| CB | CA | C | O2 | 179.7° | 60.0° |
| CB | CA | C | HC | 59.5° | 60.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 119.1° | 119.9° |
| CA | CB | HB2 | HB3 | 119.2° | 119.9° |
| CA | CB | CG | CD1 | 82.8° | 90.0° |
| CA | CB | CG | CD2 | 94.1° | 90.3° |
| HA | CA | C | O1 | 179.7° | 60.0° |
| HA | CA | C | O2 | 60.6° | 60.1° |
| HA | CA | C | HC | 60.2° | 180.0° |
| HA | CA | CB | CG | 52.7° | 55.0° |
| HA | CA | CB | HB2 | 172.7° | 175.0° |
| HA | CA | CB | HB3 | 66.4° | 65.0° |
| O1 | C | O2 | HC | 120.2° | 120.0° |
| O1 | C | O2 | HO2 | 114.2° | 60.0° |
| O2 | C | O1 | HO1 | 92.2° | 60.0° |
| HC | C | O1 | HO1 | 146.9° | 60.0° |
| HC | C | O2 | HO2 | 6.0° | 180.0° |
| CG | CB | HB2 | HB3 | 119.2° | 120.0° |
| CB | CG | CD1 | CD2 | 177.0° | 179.7° |
| CB | CG | CD1 | CE1 | 178.2° | 180.0° |
| CB | CG | CD1 | HD1 | 1.7° | 0.0° |
| CB | CG | CD2 | CE2 | 178.2° | 180.0° |
| CB | CG | CD2 | HD2 | 1.8° | 0.1° |
| HB2 | CB | CG | CD1 | 157.3° | 30.0° |
| HB2 | CB | CG | CD2 | 25.8° | 149.7° |
| HB3 | CB | CG | CD1 | 36.4° | 150.0° |
| HB3 | CB | CG | CD2 | 146.7° | 29.7° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 1.3° | 0.3° |
| CD1 | CG | CD2 | HD2 | 178.7° | 179.7° |
| CG | CD1 | CE1 | CZ | 0.6° | 0.0° |
| CG | CD1 | CE1 | HE1 | 179.4° | 180.0° |
| CD2 | CG | CD1 | CE1 | 1.2° | 0.3° |
| CD2 | CG | CD1 | HD1 | 178.7° | 179.8° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.9° |
| CG | CD2 | CE2 | CZ | 0.7° | 0.0° |
| CG | CD2 | CE2 | HE2 | 179.4° | 180.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.0° | 0.2° |
| CD1 | CE1 | CZ | HZ | 180.0° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 179.4° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.6° | 0.0° |
| CD2 | CE2 | CZ | CE1 | 0.0° | 0.2° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.9° |
| CD2 | CE2 | CZ | HZ | 180.0° | 180.0° |
| HD2 | CD2 | CE2 | CZ | 179.3° | 179.9° |
| HD2 | CD2 | CE2 | HE2 | 0.6° | 0.0° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.8° |
| CE1 | CZ | CE2 | HE2 | 180.0° | 179.7° |
| HE1 | CE1 | CZ | CE2 | 180.0° | 179.8° |
| HE1 | CE1 | CZ | HZ | 0.0° | 0.0° |
| HE2 | CE2 | CZ | HZ | 0.0° | 0.1° |
