NTR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.49Å | |
| N | H | sing | 0.99Å | 1.00Å | |
| N | H2 | sing | 0.99Å | 1.00Å | |
| CA | CG | sing | 1.49Å | 1.49Å | |
| CA | C | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.11Å | 1.10Å | |
| CG | CD1 | doub | 1.39Å | 1.36Å | Aromatic |
| CG | CD2 | sing | 1.39Å | 1.34Å | Aromatic |
| CD1 | CE1 | sing | 1.39Å | 1.41Å | Aromatic |
| CD1 | HD1 | sing | 1.09Å | 1.08Å | |
| CD2 | CE2 | doub | 1.39Å | 1.37Å | Aromatic |
| CD2 | HD2 | sing | 1.09Å | 1.08Å | |
| CE1 | CZ | doub | 1.39Å | 1.39Å | Aromatic |
| CE1 | HE1 | sing | 1.09Å | 1.08Å | |
| CE2 | CZ | sing | 1.40Å | 1.38Å | Aromatic |
| CE2 | OE3 | sing | 1.36Å | 1.38Å | |
| CZ | OH | sing | 1.36Å | 1.37Å | |
| OH | HH | sing | 0.97Å | 0.95Å | |
| OE3 | HE3 | sing | 0.97Å | 0.95Å | |
| C | O | doub | 1.22Å | 1.25Å | |
| C | OXT | sing | 1.36Å | 29.83Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.4° | 117.4° |
| CA | N | H2 | 109.5° | 117.4° |
| N | CA | CG | 115.9° | 113.1° |
| N | CA | C | 107.6° | 107.4° |
| N | CA | HA | 106.8° | 107.5° |
| H | N | H2 | 109.5° | 123.7° |
| CG | CA | C | 110.9° | 112.0° |
| CG | CA | HA | 103.3° | 110.2° |
| CA | CG | CD1 | 122.9° | 120.0° |
| CA | CG | CD2 | 121.6° | 120.0° |
| C | CA | HA | 112.3° | 106.3° |
| CA | C | O | 118.0° | 124.8° |
| CA | C | OXT | 109.5° | 112.9° |
| CD1 | CG | CD2 | 115.4° | 120.0° |
| CG | CD1 | CE1 | 122.9° | 120.0° |
| CG | CD1 | HD1 | 118.6° | 120.5° |
| CG | CD2 | CE2 | 126.5° | 120.0° |
| CG | CD2 | HD2 | 116.7° | 120.1° |
| CE1 | CD1 | HD1 | 118.6° | 119.5° |
| CD1 | CE1 | CZ | 117.7° | 120.0° |
| CD1 | CE1 | HE1 | 121.1° | 119.7° |
| CE2 | CD2 | HD2 | 116.8° | 119.8° |
| CD2 | CE2 | CZ | 116.7° | 120.0° |
| CD2 | CE2 | OE3 | 126.9° | 119.5° |
| CZ | CE1 | HE1 | 121.1° | 120.3° |
| CE1 | CZ | CE2 | 120.3° | 120.0° |
| CE1 | CZ | OH | 122.2° | 119.5° |
| CZ | CE2 | OE3 | 116.2° | 120.5° |
| CE2 | CZ | OH | 117.3° | 120.6° |
| CE2 | OE3 | HE3 | 109.5° | 110.2° |
| CZ | OH | HH | 109.5° | 110.2° |
| O | C | OXT | 121.9° | 122.3° |
| C | OXT | HXT | 109.5° | 115.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 165.7° |
| N | CA | CG | C | 123.0° | 121.5° |
| N | CA | CG | HA | 116.4° | 120.3° |
| N | CA | C | HA | 117.3° | 114.7° |
| N | CA | CG | CD1 | 94.8° | 120.3° |
| N | CA | CG | CD2 | 80.9° | 59.7° |
| N | CA | C | O | 37.4° | 5.3° |
| N | CA | C | OXT | 108.0° | 173.5° |
| H | N | CA | CG | 12.3° | 128.7° |
| H | N | CA | C | 112.4° | 4.6° |
| H | N | CA | HA | 126.7° | 109.4° |
| H2 | N | CA | CG | 107.7° | 37.9° |
| H2 | N | CA | C | 127.5° | 162.0° |
| H2 | N | CA | HA | 6.7° | 84.0° |
| CG | CA | C | HA | 115.0° | 120.5° |
| CA | CG | CD1 | CD2 | 175.9° | 179.9° |
| CA | CG | CD1 | CE1 | 178.7° | 180.0° |
| CA | CG | CD1 | HD1 | 1.3° | 0.1° |
| CA | CG | CD2 | CE2 | 176.6° | 180.0° |
| CA | CG | CD2 | HD2 | 3.4° | 0.0° |
| CG | CA | C | O | 90.3° | 119.5° |
| CG | CA | C | OXT | 124.3° | 61.7° |
| C | CA | CG | CD1 | 142.2° | 118.2° |
| C | CA | CG | CD2 | 42.2° | 61.9° |
| CA | C | O | OXT | 140.9° | 178.7° |
| CA | C | OXT | HXT | 180.0° | 178.8° |
| HA | CA | CG | CD1 | 21.7° | 0.1° |
| HA | CA | CG | CD2 | 162.7° | 180.0° |
| HA | CA | C | O | 154.7° | 120.0° |
| HA | CA | C | OXT | 9.3° | 58.8° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 7.4° | 0.0° |
| CD1 | CG | CD2 | HD2 | 172.6° | 180.0° |
| CG | CD1 | CE1 | CZ | 2.9° | 0.0° |
| CG | CD1 | CE1 | HE1 | 177.1° | 180.0° |
| CD2 | CG | CD1 | CE1 | 2.8° | 0.0° |
| CD2 | CG | CD1 | HD1 | 177.2° | 180.0° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CZ | 5.8° | 0.0° |
| CG | CD2 | CE2 | OE3 | 169.5° | 180.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 4.6° | 0.0° |
| CD1 | CE1 | CZ | OH | 179.6° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 177.1° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 2.8° | 0.0° |
| CD2 | CE2 | CZ | CE1 | 0.7° | 0.0° |
| CD2 | CE2 | CZ | OE3 | 175.8° | 180.0° |
| CD2 | CE2 | CZ | OH | 175.9° | 180.0° |
| CD2 | CE2 | OE3 | HE3 | 30.5° | 167.8° |
| HD2 | CD2 | CE2 | CZ | 174.2° | 180.0° |
| HD2 | CD2 | CE2 | OE3 | 10.6° | 0.0° |
| CE1 | CZ | CE2 | OH | 175.2° | 180.0° |
| CE1 | CZ | CE2 | OE3 | 176.4° | 180.0° |
| CE1 | CZ | OH | HH | 163.2° | 36.5° |
| HE1 | CE1 | CZ | CE2 | 175.4° | 180.0° |
| HE1 | CE1 | CZ | OH | 0.4° | 0.0° |
| CE2 | CZ | OH | HH | 12.0° | 143.6° |
| CZ | CE2 | OE3 | HE3 | 154.2° | 12.2° |
| OE3 | CE2 | CZ | OH | 8.3° | 0.0° |
| O | C | OXT | HXT | 36.2° | 0.1° |
