CNT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CM | sing | 1.46Å | 1.48Å | |
| N | CA | sing | 1.44Å | 1.49Å | |
| N | H | sing | 1.02Å | 1.03Å | |
| CM | HMC1 | sing | 1.09Å | 1.10Å | |
| CM | HMC2 | sing | 1.09Å | 1.10Å | |
| CM | HMC3 | sing | 1.09Å | 1.10Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | C | sing | 1.52Å | 1.53Å | |
| CA | HA | sing | 1.10Å | 1.10Å | |
| CB | CG | sing | 1.51Å | 1.52Å | |
| CB | HBC1 | sing | 1.10Å | 1.10Å | |
| CB | HBC2 | sing | 1.10Å | 1.10Å | |
| CG | CD2 | doub | 1.39Å | 1.40Å | Aromatic |
| CG | CE1 | sing | 1.39Å | 1.41Å | Aromatic |
| CD2 | CE2 | sing | 1.40Å | 1.40Å | Aromatic |
| CD2 | HD2 | sing | 1.09Å | 1.06Å | |
| CE2 | CL | sing | 1.72Å | 1.77Å | |
| CE2 | CZ | doub | 1.40Å | 1.41Å | Aromatic |
| CZ | OH | sing | 1.36Å | 1.36Å | |
| CZ | CD1 | sing | 1.39Å | 1.40Å | Aromatic |
| OH | HH | sing | 0.97Å | 0.96Å | |
| CD1 | CE1 | doub | 1.40Å | 1.41Å | Aromatic |
| CD1 | HD1 | sing | 1.09Å | 1.06Å | |
| CE1 | HE1 | sing | 1.09Å | 1.06Å | |
| C | O | doub | 1.23Å | 1.23Å | |
| C | OXT | sing | 1.35Å | 102.28Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CM | N | CA | 123.5° | 111.5° |
| CM | N | H | 105.8° | 108.5° |
| N | CM | HMC1 | 109.5° | 110.1° |
| N | CM | HMC2 | 109.5° | 110.2° |
| N | CM | HMC3 | 109.5° | 110.2° |
| CA | N | H | 105.9° | 110.1° |
| N | CA | CB | 109.7° | 111.1° |
| N | CA | C | 112.3° | 111.1° |
| N | CA | HA | 107.6° | 106.2° |
| HMC1 | CM | HMC2 | 109.5° | 108.8° |
| HMC1 | CM | HMC3 | 109.5° | 108.8° |
| HMC2 | CM | HMC3 | 109.5° | 108.7° |
| CB | CA | C | 110.1° | 110.0° |
| CB | CA | HA | 109.9° | 111.4° |
| CA | CB | CG | 110.2° | 113.0° |
| CA | CB | HBC1 | 109.3° | 110.4° |
| CA | CB | HBC2 | 109.0° | 110.1° |
| C | CA | HA | 107.2° | 106.9° |
| CA | C | O | 121.0° | 123.0° |
| CA | C | OXT | 26.6° | 114.8° |
| CG | CB | HBC1 | 109.3° | 108.1° |
| CG | CB | HBC2 | 109.1° | 109.7° |
| CB | CG | CD2 | 119.6° | 119.4° |
| CB | CG | CE1 | 120.3° | 119.3° |
| HBC1 | CB | HBC2 | 109.9° | 105.2° |
| CD2 | CG | CE1 | 120.1° | 121.3° |
| CG | CD2 | CE2 | 120.0° | 119.3° |
| CG | CD2 | HD2 | 120.0° | 120.3° |
| CG | CE1 | CD1 | 120.0° | 119.3° |
| CG | CE1 | HE1 | 120.0° | 121.2° |
| CE2 | CD2 | HD2 | 120.0° | 120.4° |
| CD2 | CE2 | CL | 119.1° | 119.0° |
| CD2 | CE2 | CZ | 120.2° | 120.0° |
| CL | CE2 | CZ | 120.7° | 121.0° |
| CE2 | CZ | OH | 120.3° | 121.2° |
| CE2 | CZ | CD1 | 119.9° | 120.0° |
| OH | CZ | CD1 | 119.8° | 118.8° |
| CZ | OH | HH | 120.0° | 110.1° |
| CZ | CD1 | CE1 | 119.8° | 120.0° |
| CZ | CD1 | HD1 | 120.1° | 120.4° |
| CE1 | CD1 | HD1 | 120.1° | 119.6° |
| CD1 | CE1 | HE1 | 120.0° | 119.5° |
| O | C | OXT | 105.6° | 122.2° |
| C | OXT | HXT | 26.6° | 114.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CM | N | CA | H | 121.9° | 120.5° |
| N | CM | HMC1 | HMC2 | 120.0° | 120.9° |
| N | CM | HMC1 | HMC3 | 120.0° | 120.9° |
| N | CM | HMC2 | HMC3 | 120.0° | 120.9° |
| CM | N | CA | CB | 73.2° | 176.7° |
| CM | N | CA | C | 49.5° | 60.5° |
| CM | N | CA | HA | 167.3° | 55.4° |
| CA | N | CM | HMC1 | 108.5° | 76.2° |
| CA | N | CM | HMC2 | 11.5° | 163.8° |
| CA | N | CM | HMC3 | 131.5° | 43.8° |
| N | CA | CB | C | 124.0° | 123.5° |
| N | CA | CB | HA | 118.1° | 118.2° |
| N | CA | C | HA | 117.9° | 115.5° |
| N | CA | CB | CG | 63.4° | 158.2° |
| N | CA | CB | HBC1 | 56.7° | 37.0° |
| N | CA | CB | HBC2 | 176.9° | 78.7° |
| N | CA | C | O | 123.4° | 34.5° |
| N | CA | C | OXT | 176.4° | 145.1° |
| H | N | CM | HMC1 | 13.4° | 162.4° |
| H | N | CM | HMC2 | 133.4° | 42.4° |
| H | N | CM | HMC3 | 106.6° | 77.6° |
| H | N | CA | CB | 164.9° | 62.8° |
| H | N | CA | C | 72.4° | 60.0° |
| H | N | CA | HA | 45.4° | 175.9° |
| HMC1 | CM | HMC2 | HMC3 | 120.0° | 118.3° |
| CB | CA | C | HA | 119.5° | 121.1° |
| CA | CB | CG | HBC1 | 120.1° | 122.5° |
| CA | CB | CG | HBC2 | 119.7° | 123.3° |
| CA | CB | HBC1 | HBC2 | 119.7° | 118.8° |
| CA | CB | CG | CD2 | 91.0° | 90.0° |
| CA | CB | CG | CE1 | 86.1° | 90.1° |
| CB | CA | C | O | 0.9° | 89.0° |
| CB | CA | C | OXT | 61.1° | 91.4° |
| C | CA | CB | CG | 172.6° | 78.3° |
| C | CA | CB | HBC1 | 67.3° | 160.5° |
| C | CA | CB | HBC2 | 52.9° | 44.8° |
| CA | C | O | OXT | 23.8° | 179.6° |
| CA | C | OXT | HXT | 180.0° | 179.6° |
| HA | CA | CB | CG | 54.7° | 40.0° |
| HA | CA | CB | HBC1 | 174.8° | 81.2° |
| HA | CA | CB | HBC2 | 65.0° | 163.1° |
| HA | CA | C | O | 118.7° | 150.0° |
| HA | CA | C | OXT | 58.4° | 29.6° |
| CG | CB | HBC1 | HBC2 | 119.7° | 117.2° |
| CB | CG | CD2 | CE1 | 177.0° | 179.9° |
| CB | CG | CD2 | CE2 | 176.6° | 179.9° |
| CB | CG | CD2 | HD2 | 3.4° | 0.1° |
| CB | CG | CE1 | CD1 | 176.7° | 179.9° |
| CB | CG | CE1 | HE1 | 3.3° | 0.0° |
| HBC1 | CB | CG | CD2 | 148.9° | 147.5° |
| HBC1 | CB | CG | CE1 | 34.1° | 32.4° |
| HBC2 | CB | CG | CD2 | 28.7° | 33.3° |
| HBC2 | CB | CG | CE1 | 154.3° | 146.6° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CL | 178.5° | 179.9° |
| CG | CD2 | CE2 | CZ | 0.4° | 0.1° |
| CD2 | CG | CE1 | CD1 | 0.3° | 0.1° |
| CD2 | CG | CE1 | HE1 | 179.7° | 179.9° |
| CE1 | CG | CD2 | CE2 | 0.4° | 0.1° |
| CE1 | CG | CD2 | HD2 | 179.6° | 180.0° |
| CG | CE1 | CD1 | CZ | 0.0° | 0.0° |
| CG | CE1 | CD1 | HE1 | 180.0° | 180.0° |
| CG | CE1 | CD1 | HD1 | 180.0° | 179.9° |
| CD2 | CE2 | CL | CZ | 178.8° | 179.9° |
| CD2 | CE2 | CZ | OH | 179.8° | 180.0° |
| CD2 | CE2 | CZ | CD1 | 0.1° | 0.1° |
| HD2 | CD2 | CE2 | CL | 1.5° | 0.1° |
| HD2 | CD2 | CE2 | CZ | 179.6° | 180.0° |
| CL | CE2 | CZ | OH | 1.3° | 0.1° |
| CL | CE2 | CZ | CD1 | 178.7° | 179.9° |
| CE2 | CZ | OH | CD1 | 180.0° | 180.0° |
| CE2 | CZ | OH | HH | 0.0° | 12.6° |
| CE2 | CZ | CD1 | CE1 | 0.0° | 0.0° |
| CE2 | CZ | CD1 | HD1 | 179.9° | 179.9° |
| OH | CZ | CD1 | CE1 | 180.0° | 180.0° |
| OH | CZ | CD1 | HD1 | 0.0° | 0.0° |
| CD1 | CZ | OH | HH | 180.0° | 167.4° |
| CZ | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CZ | CD1 | CE1 | HE1 | 180.0° | 179.9° |
| HD1 | CD1 | CE1 | HE1 | 0.0° | 0.1° |
| O | C | OXT | HXT | 50.6° | 0.0° |
