Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | HN2 | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.55Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | CH | sing | 1.51Å | 1.54Å | |
| CB | CG | sing | 1.51Å | 1.51Å | |
| CB | HB1 | sing | 1.09Å | 1.12Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CG | CD1 | doub | 1.38Å | 1.40Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.10Å | |
| CD2 | CE2 | doub | 1.38Å | 1.39Å | 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 | 1.40Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.10Å | |
| CZ | HZ | sing | 1.08Å | 1.10Å | |
| CH | HCH1 | sing | 1.09Å | 1.12Å | |
| CH | HCH2 | sing | 1.09Å | 1.12Å | |
| CH | HCH3 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 113.2° | 106.7° |
| CA | N | HN2 | 110.8° | 106.7° |
| N | CA | C | 113.2° | 109.5° |
| N | CA | CB | 110.2° | 109.5° |
| N | CA | HA | 106.2° | 109.4° |
| H | N | HN2 | 110.8° | 106.7° |
| C | CA | CB | 108.7° | 109.5° |
| C | CA | HA | 107.7° | 109.4° |
| CA | C | O | 118.0° | 120.0° |
| CA | C | CH | 114.1° | 120.0° |
| CB | CA | HA | 110.9° | 109.4° |
| CA | CB | CG | 114.9° | 109.5° |
| CA | CB | HB1 | 110.2° | 109.5° |
| CA | CB | HB2 | 110.2° | 109.5° |
| O | C | CH | 106.5° | 120.0° |
| C | CH | HCH1 | 114.1° | 109.5° |
| C | CH | HCH2 | 110.5° | 109.5° |
| C | CH | HCH3 | 110.5° | 109.5° |
| CG | CB | HB1 | 110.2° | 109.5° |
| CG | CB | HB2 | 110.2° | 109.4° |
| CB | CG | CD1 | 121.5° | 120.0° |
| CB | CG | CD2 | 119.5° | 120.0° |
| HB1 | CB | HB2 | 100.0° | 109.4° |
| CD1 | CG | CD2 | 119.0° | 120.0° |
| CG | CD1 | CE1 | 121.1° | 120.0° |
| CG | CD1 | HD1 | 119.6° | 120.0° |
| CG | CD2 | CE2 | 120.5° | 120.0° |
| CG | CD2 | HD2 | 119.8° | 120.0° |
| CE1 | CD1 | HD1 | 119.3° | 120.0° |
| CD1 | CE1 | CZ | 119.7° | 120.0° |
| CD1 | CE1 | HE1 | 120.3° | 120.0° |
| CE2 | CD2 | HD2 | 119.7° | 120.0° |
| CD2 | CE2 | CZ | 119.7° | 120.0° |
| CD2 | CE2 | HE2 | 119.8° | 120.0° |
| CZ | CE1 | HE1 | 120.0° | 120.0° |
| CE1 | CZ | CE2 | 120.1° | 120.0° |
| CE1 | CZ | HZ | 119.4° | 120.0° |
| CZ | CE2 | HE2 | 120.5° | 120.0° |
| CE2 | CZ | HZ | 120.5° | 120.0° |
| HCH1 | CH | HCH2 | 110.5° | 109.4° |
| HCH1 | CH | HCH3 | 110.5° | 109.5° |
| HCH2 | CH | HCH3 | 99.8° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | HN2 | 125.2° | 113.7° |
| N | CA | C | CB | 122.7° | 120.1° |
| N | CA | C | HA | 117.1° | 119.9° |
| N | CA | CB | HA | 117.2° | 120.0° |
| N | CA | C | O | 163.1° | 30.0° |
| N | CA | C | CH | 36.9° | 149.9° |
| N | CA | CB | CG | 65.9° | 60.0° |
| N | CA | CB | HB1 | 59.3° | 60.1° |
| N | CA | CB | HB2 | 168.8° | 180.0° |
| H | N | CA | C | 179.9° | 173.8° |
| H | N | CA | CB | 58.1° | 53.7° |
| H | N | CA | HA | 62.1° | 66.3° |
| HN2 | N | CA | C | 54.8° | 60.1° |
| HN2 | N | CA | CB | 67.1° | 60.0° |
| HN2 | N | CA | HA | 172.7° | 180.0° |
| C | CA | CB | HA | 118.3° | 120.0° |
| CA | C | O | CH | 129.8° | 180.0° |
| C | CA | CB | CG | 169.6° | 180.0° |
| C | CA | CB | HB1 | 65.2° | 60.0° |
| C | CA | CB | HB2 | 44.3° | 60.0° |
| CA | C | CH | HCH1 | 180.0° | 180.0° |
| CA | C | CH | HCH2 | 54.8° | 60.0° |
| CA | C | CH | HCH3 | 54.7° | 60.0° |
| CB | CA | C | O | 74.1° | 90.0° |
| CB | CA | C | CH | 159.7° | 90.0° |
| CA | CB | CG | HB1 | 125.3° | 120.0° |
| CA | CB | CG | HB2 | 125.3° | 120.1° |
| CA | CB | HB1 | HB2 | 116.1° | 120.0° |
| CA | CB | CG | CD1 | 17.1° | 90.0° |
| CA | CB | CG | CD2 | 163.9° | 90.3° |
| HA | CA | C | O | 46.1° | 150.0° |
| HA | CA | C | CH | 80.1° | 30.0° |
| HA | CA | CB | CG | 51.3° | 60.0° |
| HA | CA | CB | HB1 | 176.6° | 180.0° |
| HA | CA | CB | HB2 | 74.0° | 60.0° |
| O | C | CH | HCH1 | 48.0° | 0.0° |
| O | C | CH | HCH2 | 173.2° | 120.0° |
| O | C | CH | HCH3 | 77.3° | 120.1° |
| C | CH | HCH1 | HCH2 | 125.2° | 120.1° |
| C | CH | HCH1 | HCH3 | 125.3° | 120.0° |
| C | CH | HCH2 | HCH3 | 116.4° | 120.0° |
| CG | CB | HB1 | HB2 | 116.0° | 119.9° |
| CB | CG | CD1 | CD2 | 179.0° | 179.8° |
| CB | CG | CD1 | CE1 | 178.8° | 180.0° |
| CB | CG | CD1 | HD1 | 1.3° | 0.0° |
| CB | CG | CD2 | CE2 | 178.8° | 179.8° |
| CB | CG | CD2 | HD2 | 1.2° | 0.1° |
| HB1 | CB | CG | CD1 | 142.4° | 30.1° |
| HB1 | CB | CG | CD2 | 38.6° | 149.7° |
| HB2 | CB | CG | CD1 | 108.2° | 150.0° |
| HB2 | CB | CG | CD2 | 70.9° | 29.8° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.3° | 0.4° |
| CD1 | CG | CD2 | HD2 | 179.7° | 179.9° |
| CG | CD1 | CE1 | CZ | 0.3° | 0.0° |
| CG | CD1 | CE1 | HE1 | 179.7° | 180.0° |
| CD2 | CG | CD1 | CE1 | 0.3° | 0.2° |
| CD2 | CG | CD1 | HD1 | 179.7° | 179.7° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.7° |
| CG | CD2 | CE2 | CZ | 0.2° | 0.4° |
| CG | CD2 | CE2 | HE2 | 179.8° | 179.7° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.2° | 0.0° |
| CD1 | CE1 | CZ | HZ | 179.8° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 179.7° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.3° | 0.0° |
| CD2 | CE2 | CZ | CE1 | 0.2° | 0.1° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.9° |
| CD2 | CE2 | CZ | HZ | 179.9° | 179.9° |
| HD2 | CD2 | CE2 | CZ | 179.8° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 0.2° | 0.1° |
| CE1 | CZ | CE2 | HZ | 180.0° | 180.0° |
| CE1 | CZ | CE2 | HE2 | 179.8° | 180.0° |
| HE1 | CE1 | CZ | CE2 | 179.8° | 180.0° |
| HE1 | CE1 | CZ | HZ | 0.2° | 0.0° |
| HE2 | CE2 | CZ | HZ | 0.1° | 0.0° |
| HCH1 | CH | HCH2 | HCH3 | 116.4° | 120.0° |
