Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.44Å | |
| N | HN1 | sing | 1.01Å | 1.02Å | |
| N | HN2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | B | sing | 1.57Å | 1.57Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| CB | CG | sing | 1.51Å | 1.49Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CG | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.10Å | |
| CD2 | CE2 | doub | 1.38Å | 1.41Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.10Å | |
| CE1 | CZ | doub | 1.38Å | 1.39Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.10Å | |
| CE2 | CZ | sing | 1.38Å | 1.41Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.10Å | |
| CZ | HZ | sing | 1.08Å | 1.10Å | |
| B | O1 | sing | 1.42Å | 1.50Å | |
| B | O2 | sing | 1.42Å | 1.48Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | HN1 | 115.3° | 106.7° |
| CA | N | HN2 | 110.1° | 106.8° |
| N | CA | CB | 115.3° | 109.5° |
| N | CA | B | 114.4° | 109.4° |
| N | CA | HA | 101.4° | 109.4° |
| HN1 | N | HN2 | 110.1° | 106.7° |
| CB | CA | B | 109.4° | 109.5° |
| CB | CA | HA | 107.4° | 109.5° |
| CA | CB | CG | 120.3° | 109.5° |
| CA | CB | HB1 | 108.3° | 109.5° |
| CA | CB | HB2 | 108.3° | 109.5° |
| B | CA | HA | 108.3° | 109.5° |
| CA | B | O1 | 115.2° | 120.0° |
| CA | B | O2 | 113.8° | 120.0° |
| CG | CB | HB1 | 108.3° | 109.5° |
| CG | CB | HB2 | 108.3° | 109.5° |
| CB | CG | CD1 | 118.9° | 120.0° |
| CB | CG | CD2 | 121.8° | 120.0° |
| HB1 | CB | HB2 | 101.6° | 109.4° |
| CD1 | CG | CD2 | 119.2° | 120.0° |
| CG | CD1 | CE1 | 120.4° | 120.0° |
| CG | CD1 | HD1 | 119.7° | 120.0° |
| CG | CD2 | CE2 | 121.1° | 120.0° |
| CG | CD2 | HD2 | 119.2° | 120.0° |
| CE1 | CD1 | HD1 | 119.9° | 120.0° |
| CD1 | CE1 | CZ | 120.2° | 120.0° |
| CD1 | CE1 | HE1 | 120.0° | 120.0° |
| CE2 | CD2 | HD2 | 119.7° | 120.0° |
| CD2 | CE2 | CZ | 118.5° | 120.0° |
| CD2 | CE2 | HE2 | 120.7° | 120.0° |
| CZ | CE1 | HE1 | 119.8° | 120.0° |
| CE1 | CZ | CE2 | 120.4° | 120.0° |
| CE1 | CZ | HZ | 119.3° | 120.0° |
| CZ | CE2 | HE2 | 120.8° | 120.0° |
| CE2 | CZ | HZ | 120.3° | 120.0° |
| O1 | B | O2 | 117.0° | 120.0° |
| B | O1 | HO1 | 115.2° | 106.9° |
| B | O2 | HO2 | 113.8° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | HN1 | HN2 | 125.2° | 113.9° |
| N | CA | CB | B | 130.6° | 120.0° |
| N | CA | CB | HA | 112.1° | 120.0° |
| N | CA | B | HA | 112.2° | 120.0° |
| N | CA | CB | CG | 63.1° | 65.5° |
| N | CA | CB | HB1 | 62.2° | 54.6° |
| N | CA | CB | HB2 | 171.7° | 174.5° |
| N | CA | B | O1 | 176.4° | 65.3° |
| N | CA | B | O2 | 44.4° | 114.7° |
| HN1 | N | CA | CB | 180.0° | 53.8° |
| HN1 | N | CA | B | 51.9° | 173.8° |
| HN1 | N | CA | HA | 64.4° | 66.2° |
| HN2 | N | CA | CB | 54.7° | 60.0° |
| HN2 | N | CA | B | 177.1° | 60.0° |
| HN2 | N | CA | HA | 60.8° | 180.0° |
| CB | CA | B | HA | 116.7° | 120.1° |
| CA | CB | CG | HB1 | 125.3° | 120.1° |
| CA | CB | CG | HB2 | 125.2° | 120.0° |
| CA | CB | HB1 | HB2 | 114.0° | 120.0° |
| CA | CB | CG | CD1 | 175.8° | 95.4° |
| CA | CB | CG | CD2 | 1.2° | 84.9° |
| CB | CA | B | O1 | 45.3° | 174.7° |
| CB | CA | B | O2 | 175.5° | 5.3° |
| B | CA | CB | CG | 166.3° | 174.6° |
| B | CA | CB | HB1 | 68.4° | 65.4° |
| B | CA | CB | HB2 | 41.1° | 54.6° |
| CA | B | O1 | O2 | 137.8° | 179.9° |
| CA | B | O1 | HO1 | 180.0° | 179.9° |
| CA | B | O2 | HO2 | 180.0° | 5.0° |
| HA | CA | CB | CG | 49.0° | 54.5° |
| HA | CA | CB | HB1 | 174.3° | 174.5° |
| HA | CA | CB | HB2 | 76.2° | 65.5° |
| HA | CA | B | O1 | 71.4° | 54.6° |
| HA | CA | B | O2 | 67.8° | 125.3° |
| CG | CB | HB1 | HB2 | 114.0° | 120.0° |
| CB | CG | CD1 | CD2 | 177.1° | 179.6° |
| CB | CG | CD1 | CE1 | 178.3° | 180.0° |
| CB | CG | CD1 | HD1 | 1.7° | 0.1° |
| CB | CG | CD2 | CE2 | 180.0° | 179.8° |
| CB | CG | CD2 | HD2 | 0.1° | 0.3° |
| HB1 | CB | CG | CD1 | 50.5° | 24.6° |
| HB1 | CB | CG | CD2 | 126.5° | 155.0° |
| HB2 | CB | CG | CD1 | 59.0° | 144.5° |
| HB2 | CB | CG | CD2 | 124.0° | 35.1° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CD1 | CG | CD2 | CE2 | 3.0° | 0.6° |
| CD1 | CG | CD2 | HD2 | 177.1° | 179.9° |
| CG | CD1 | CE1 | CZ | 1.5° | 0.1° |
| CG | CD1 | CE1 | HE1 | 178.6° | 180.0° |
| CD2 | CG | CD1 | CE1 | 1.3° | 0.4° |
| CD2 | CG | CD1 | HD1 | 178.8° | 179.7° |
| CG | CD2 | CE2 | HD2 | 179.9° | 179.5° |
| CG | CD2 | CE2 | CZ | 2.0° | 0.6° |
| CG | CD2 | CE2 | HE2 | 178.0° | 179.7° |
| CD1 | CE1 | CZ | HE1 | 179.9° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 2.5° | 0.1° |
| CD1 | CE1 | CZ | HZ | 177.5° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 178.5° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 1.5° | 0.0° |
| CD2 | CE2 | CZ | CE1 | 0.7° | 0.3° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.7° |
| CD2 | CE2 | CZ | HZ | 179.2° | 179.8° |
| HD2 | CD2 | CE2 | CZ | 178.1° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 2.0° | 0.2° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.9° |
| CE1 | CZ | CE2 | HE2 | 179.3° | 180.0° |
| HE1 | CE1 | CZ | CE2 | 177.6° | 180.0° |
| HE1 | CE1 | CZ | HZ | 2.5° | 0.1° |
| HE2 | CE2 | CZ | HZ | 0.8° | 0.1° |
| O1 | B | O2 | HO2 | 41.6° | 174.9° |
| O2 | B | O1 | HO1 | 42.2° | 0.1° |






