PPT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA1 | sing | 1.09Å | 1.11Å | |
| CA | HA2 | sing | 1.09Å | 1.12Å | |
| C | OT1 | doub | 1.21Å | 1.25Å | |
| C | OT2 | sing | 1.34Å | 1.25Å | |
| OT2 | HO2 | sing | 0.97Å | 0.95Å | |
| 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 | 1.39Å | 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 | 1.38Å | 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 | 1.39Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.10Å | |
| CZ | CH | sing | 1.51Å | 1.50Å | |
| CH | HH1 | sing | 1.09Å | 1.11Å | |
| CH | HH2 | sing | 1.09Å | 1.12Å | |
| CH | HH3 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | CA | CB | 113.3° | 109.4° |
| C | CA | HA1 | 110.9° | 109.5° |
| C | CA | HA2 | 110.9° | 109.5° |
| CA | C | OT1 | 118.5° | 120.0° |
| CA | C | OT2 | 119.1° | 120.0° |
| CB | CA | HA1 | 110.8° | 109.5° |
| CB | CA | HA2 | 110.7° | 109.4° |
| CA | CB | CG | 114.2° | 109.4° |
| CA | CB | HB1 | 110.5° | 109.5° |
| CA | CB | HB2 | 110.5° | 109.4° |
| HA1 | CA | HA2 | 99.5° | 109.5° |
| OT1 | C | OT2 | 122.4° | 120.0° |
| C | OT2 | HO2 | 119.1° | 120.1° |
| CG | CB | HB1 | 110.4° | 109.5° |
| CG | CB | HB2 | 110.5° | 109.5° |
| CB | CG | CD1 | 120.6° | 120.0° |
| CB | CG | CD2 | 120.8° | 120.0° |
| HB1 | CB | HB2 | 99.8° | 109.5° |
| CD1 | CG | CD2 | 118.6° | 120.0° |
| CG | CD1 | CE1 | 120.7° | 120.0° |
| CG | CD1 | HD1 | 119.9° | 120.0° |
| CG | CD2 | CE2 | 120.8° | 120.0° |
| CG | CD2 | HD2 | 119.8° | 120.0° |
| CE1 | CD1 | HD1 | 119.5° | 120.0° |
| CD1 | CE1 | CZ | 120.5° | 120.0° |
| CD1 | CE1 | HE1 | 119.6° | 120.0° |
| CE2 | CD2 | HD2 | 119.3° | 120.0° |
| CD2 | CE2 | CZ | 120.7° | 120.0° |
| CD2 | CE2 | HE2 | 119.5° | 120.0° |
| CZ | CE1 | HE1 | 119.9° | 120.0° |
| CE1 | CZ | CE2 | 118.7° | 120.0° |
| CE1 | CZ | CH | 120.7° | 120.0° |
| CZ | CE2 | HE2 | 119.8° | 120.0° |
| CE2 | CZ | CH | 120.5° | 120.0° |
| CZ | CH | HH1 | 120.8° | 109.5° |
| CZ | CH | HH2 | 108.2° | 109.4° |
| CZ | CH | HH3 | 108.2° | 109.5° |
| HH1 | CH | HH2 | 108.2° | 109.4° |
| HH1 | CH | HH3 | 108.2° | 109.6° |
| HH2 | CH | HH3 | 101.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | CA | CB | HA1 | 125.3° | 120.1° |
| C | CA | CB | HA2 | 125.3° | 120.0° |
| C | CA | HA1 | HA2 | 116.7° | 120.1° |
| CA | C | OT1 | OT2 | 179.3° | 180.0° |
| CA | C | OT2 | HO2 | 179.9° | 180.0° |
| C | CA | CB | CG | 73.7° | 180.0° |
| C | CA | CB | HB1 | 51.6° | 60.0° |
| C | CA | CB | HB2 | 161.0° | 60.1° |
| CB | CA | HA1 | HA2 | 116.6° | 119.9° |
| CB | CA | C | OT1 | 139.1° | 0.0° |
| CB | CA | C | OT2 | 40.3° | 180.0° |
| CA | CB | CG | HB1 | 125.3° | 120.0° |
| CA | CB | CG | HB2 | 125.3° | 119.9° |
| CA | CB | HB1 | HB2 | 116.4° | 120.0° |
| CA | CB | CG | CD1 | 114.2° | 90.0° |
| CA | CB | CG | CD2 | 67.4° | 90.0° |
| HA1 | CA | C | OT1 | 95.6° | 120.0° |
| HA1 | CA | C | OT2 | 85.0° | 60.0° |
| HA1 | CA | CB | CG | 161.0° | 59.9° |
| HA1 | CA | CB | HB1 | 73.7° | 180.0° |
| HA1 | CA | CB | HB2 | 35.7° | 60.0° |
| HA2 | CA | C | OT1 | 13.9° | 119.9° |
| HA2 | CA | C | OT2 | 165.5° | 60.0° |
| HA2 | CA | CB | CG | 51.6° | 60.0° |
| HA2 | CA | CB | HB1 | 176.8° | 60.0° |
| HA2 | CA | CB | HB2 | 73.7° | 180.0° |
| OT1 | C | OT2 | HO2 | 0.6° | 0.1° |
| CG | CB | HB1 | HB2 | 116.3° | 120.0° |
| CB | CG | CD1 | CD2 | 178.5° | 180.0° |
| CB | CG | CD1 | CE1 | 178.2° | 179.9° |
| CB | CG | CD1 | HD1 | 1.7° | 0.0° |
| CB | CG | CD2 | CE2 | 178.2° | 179.9° |
| CB | CG | CD2 | HD2 | 1.8° | 0.0° |
| HB1 | CB | CG | CD1 | 120.5° | 150.0° |
| HB1 | CB | CG | CD2 | 57.9° | 30.0° |
| HB2 | CB | CG | CD1 | 11.1° | 30.0° |
| HB2 | CB | CG | CD2 | 167.3° | 150.0° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CD1 | CG | CD2 | CE2 | 0.3° | 0.1° |
| CD1 | CG | CD2 | HD2 | 179.8° | 180.0° |
| CG | CD1 | CE1 | CZ | 0.1° | 0.0° |
| CG | CD1 | CE1 | HE1 | 180.0° | 180.0° |
| CD2 | CG | CD1 | CE1 | 0.2° | 0.1° |
| CD2 | CG | CD1 | HD1 | 179.8° | 180.0° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.9° |
| CG | CD2 | CE2 | CZ | 0.0° | 0.3° |
| CG | CD2 | CE2 | HE2 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 0.3° | 0.2° |
| CD1 | CE1 | CZ | CH | 177.9° | 179.9° |
| HD1 | CD1 | CE1 | CZ | 179.9° | 179.9° |
| HD1 | CD1 | CE1 | HE1 | 0.1° | 0.1° |
| CD2 | CE2 | CZ | CE1 | 0.3° | 0.4° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.7° |
| CD2 | CE2 | CZ | CH | 177.9° | 179.9° |
| HD2 | CD2 | CE2 | CZ | 180.0° | 179.8° |
| HD2 | CD2 | CE2 | HE2 | 0.0° | 0.1° |
| CE1 | CZ | CE2 | CH | 178.2° | 179.7° |
| CE1 | CZ | CE2 | HE2 | 179.7° | 179.9° |
| CE1 | CZ | CH | HH1 | 180.0° | 90.1° |
| CE1 | CZ | CH | HH2 | 54.7° | 150.0° |
| CE1 | CZ | CH | HH3 | 54.7° | 30.0° |
| HE1 | CE1 | CZ | CE2 | 179.7° | 179.7° |
| HE1 | CE1 | CZ | CH | 2.1° | 0.0° |
| CE2 | CZ | CH | HH1 | 1.8° | 90.2° |
| CE2 | CZ | CH | HH2 | 123.5° | 29.8° |
| CE2 | CZ | CH | HH3 | 127.1° | 149.7° |
| HE2 | CE2 | CZ | CH | 2.1° | 0.2° |
| CZ | CH | HH1 | HH2 | 125.3° | 119.9° |
| CZ | CH | HH1 | HH3 | 125.3° | 120.0° |
| CZ | CH | HH2 | HH3 | 113.8° | 120.0° |
| HH1 | CH | HH2 | HH3 | 113.8° | 120.1° |
