CTE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.25Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C | OXT | sing | 1.34Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| CA | N | sing | 1.47Å | 1.49Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CB | CG | sing | 1.51Å | 1.56Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | doub | 1.34Å | 1.36Å | Aromatic |
| CG | CD2 | sing | 1.46Å | 1.40Å | Aromatic |
| CD1 | NE1 | sing | 1.37Å | 1.36Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| NE1 | CE2 | sing | 1.38Å | 1.34Å | Aromatic |
| NE1 | HE1 | sing | 0.97Å | 1.00Å | |
| CE2 | CD2 | doub | 1.41Å | 1.41Å | Aromatic |
| CE2 | CZ2 | sing | 1.39Å | 1.41Å | Aromatic |
| CD2 | CE3 | sing | 1.40Å | 1.40Å | Aromatic |
| CE3 | CZ3 | doub | 1.37Å | 1.40Å | Aromatic |
| CE3 | HE3 | sing | 1.08Å | 1.08Å | |
| CZ3 | CH2 | sing | 1.39Å | 1.40Å | Aromatic |
| CZ3 | HZ3 | sing | 1.08Å | 1.08Å | |
| CH2 | CZ2 | doub | 1.38Å | 1.41Å | Aromatic |
| CH2 | HH2 | sing | 1.08Å | 1.08Å | |
| CZ2 | CL | sing | 1.74Å | 1.73Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 121.1° | 120.0° |
| O | C | CA | 120.7° | 120.0° |
| HXT | OXT | C | 109.5° | 117.0° |
| OXT | C | CA | 118.2° | 120.0° |
| C | CA | N | 109.9° | 109.5° |
| C | CA | CB | 110.2° | 109.4° |
| C | CA | HA | 110.0° | 109.5° |
| N | CA | CB | 113.0° | 109.5° |
| N | CA | HA | 106.9° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | N | H | 109.4° | 111.0° |
| CB | CA | HA | 106.6° | 109.4° |
| CA | CB | CG | 112.7° | 109.4° |
| CA | CB | HB1 | 108.4° | 109.5° |
| CA | CB | HB2 | 108.4° | 109.5° |
| H2 | N | H | 109.5° | 111.0° |
| CG | CB | HB1 | 108.4° | 109.4° |
| CG | CB | HB2 | 108.4° | 109.5° |
| CB | CG | CD1 | 127.9° | 126.5° |
| CB | CG | CD2 | 125.5° | 126.5° |
| HB1 | CB | HB2 | 110.5° | 109.4° |
| CD1 | CG | CD2 | 106.6° | 107.0° |
| CG | CD1 | NE1 | 110.4° | 109.9° |
| CG | CD1 | HD1 | 124.8° | 125.0° |
| CG | CD2 | CE2 | 106.7° | 106.1° |
| CG | CD2 | CE3 | 133.2° | 134.0° |
| NE1 | CD1 | HD1 | 124.8° | 125.1° |
| CD1 | NE1 | CE2 | 108.3° | 109.9° |
| CD1 | NE1 | HE1 | 125.9° | 125.0° |
| CE2 | NE1 | HE1 | 125.8° | 125.1° |
| NE1 | CE2 | CD2 | 108.1° | 107.1° |
| NE1 | CE2 | CZ2 | 132.5° | 133.5° |
| CD2 | CE2 | CZ2 | 119.4° | 119.4° |
| CE2 | CD2 | CE3 | 120.1° | 119.9° |
| CE2 | CZ2 | CH2 | 120.7° | 119.7° |
| CE2 | CZ2 | CL | 118.8° | 120.1° |
| CD2 | CE3 | CZ3 | 119.7° | 119.8° |
| CD2 | CE3 | HE3 | 120.2° | 120.1° |
| CZ3 | CE3 | HE3 | 120.2° | 120.1° |
| CE3 | CZ3 | CH2 | 120.9° | 120.5° |
| CE3 | CZ3 | HZ3 | 119.5° | 119.7° |
| CH2 | CZ3 | HZ3 | 119.6° | 119.7° |
| CZ3 | CH2 | CZ2 | 119.1° | 120.7° |
| CZ3 | CH2 | HH2 | 120.4° | 119.7° |
| CZ2 | CH2 | HH2 | 120.4° | 119.6° |
| CH2 | CZ2 | CL | 120.5° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | HXT | 0.0° | 0.0° |
| O | C | OXT | CA | 178.9° | 179.6° |
| O | C | CA | N | 57.8° | 19.9° |
| O | C | CA | CB | 67.4° | 100.1° |
| O | C | CA | HA | 175.3° | 140.0° |
| HXT | OXT | C | CA | 178.9° | 179.7° |
| OXT | C | CA | N | 121.0° | 159.7° |
| OXT | C | CA | CB | 113.7° | 80.3° |
| OXT | C | CA | HA | 3.5° | 39.7° |
| C | CA | N | CB | 123.6° | 120.0° |
| C | CA | N | HA | 119.4° | 120.0° |
| C | CA | CB | HA | 119.3° | 119.9° |
| C | CA | N | H2 | 180.0° | 60.0° |
| C | CA | N | H | 60.0° | 176.1° |
| C | CA | CB | CG | 64.9° | 175.0° |
| C | CA | CB | HB1 | 175.1° | 65.0° |
| C | CA | CB | HB2 | 55.1° | 55.0° |
| N | CA | CB | HA | 117.2° | 120.1° |
| CA | N | H2 | H | 120.0° | 124.0° |
| N | CA | CB | CG | 171.7° | 65.0° |
| N | CA | CB | HB1 | 51.7° | 55.0° |
| N | CA | CB | HB2 | 68.3° | 175.0° |
| CB | CA | N | H2 | 56.4° | 60.0° |
| CB | CA | N | H | 176.4° | 64.0° |
| CA | CB | CG | HB1 | 120.0° | 120.0° |
| CA | CB | CG | HB2 | 120.0° | 120.1° |
| CA | CB | HB1 | HB2 | 118.7° | 120.0° |
| CA | CB | CG | CD1 | 74.3° | 95.0° |
| CA | CB | CG | CD2 | 105.7° | 84.6° |
| HA | CA | N | H2 | 60.6° | 180.0° |
| HA | CA | N | H | 59.4° | 56.0° |
| HA | CA | CB | CG | 54.4° | 55.1° |
| HA | CA | CB | HB1 | 65.6° | 175.0° |
| HA | CA | CB | HB2 | 174.4° | 65.0° |
| CG | CB | HB1 | HB2 | 118.7° | 120.0° |
| CB | CG | CD1 | CD2 | 180.0° | 179.7° |
| CB | CG | CD1 | NE1 | 179.7° | 180.0° |
| CB | CG | CD1 | HD1 | 0.3° | 0.1° |
| CB | CG | CD2 | CE2 | 179.0° | 179.9° |
| CB | CG | CD2 | CE3 | 0.4° | 0.1° |
| HB1 | CB | CG | CD1 | 45.7° | 145.0° |
| HB1 | CB | CG | CD2 | 134.3° | 35.3° |
| HB2 | CB | CG | CD1 | 165.7° | 25.1° |
| HB2 | CB | CG | CD2 | 14.3° | 155.3° |
| CG | CD1 | NE1 | HD1 | 180.0° | 179.9° |
| CG | CD1 | NE1 | CE2 | 0.5° | 0.0° |
| CG | CD1 | NE1 | HE1 | 179.5° | 179.9° |
| CD1 | CG | CD2 | CE2 | 1.0° | 0.4° |
| CD1 | CG | CD2 | CE3 | 179.6° | 179.8° |
| CD2 | CG | CD1 | NE1 | 0.3° | 0.3° |
| CD2 | CG | CD1 | HD1 | 179.7° | 179.8° |
| CG | CD2 | CE2 | NE1 | 1.3° | 0.4° |
| CG | CD2 | CE2 | CE3 | 178.9° | 179.8° |
| CG | CD2 | CE2 | CZ2 | 179.8° | 179.8° |
| CG | CD2 | CE3 | CZ3 | 178.7° | 180.0° |
| CG | CD2 | CE3 | HE3 | 1.3° | 0.1° |
| CD1 | NE1 | CE2 | HE1 | 180.0° | 179.9° |
| CD1 | NE1 | CE2 | CD2 | 1.1° | 0.3° |
| CD1 | NE1 | CE2 | CZ2 | 179.8° | 180.0° |
| HD1 | CD1 | NE1 | CE2 | 179.5° | 180.0° |
| HD1 | CD1 | NE1 | HE1 | 0.5° | 0.0° |
| NE1 | CE2 | CD2 | CZ2 | 178.9° | 179.8° |
| NE1 | CE2 | CD2 | CE3 | 179.8° | 179.8° |
| NE1 | CE2 | CZ2 | CH2 | 179.3° | 179.3° |
| NE1 | CE2 | CZ2 | CL | 0.6° | 0.0° |
| HE1 | NE1 | CE2 | CD2 | 178.9° | 179.8° |
| HE1 | NE1 | CE2 | CZ2 | 0.2° | 0.1° |
| CE2 | CD2 | CE3 | CZ3 | 0.2° | 0.2° |
| CE2 | CD2 | CE3 | HE3 | 179.8° | 179.9° |
| CD2 | CE2 | CZ2 | CH2 | 0.7° | 0.5° |
| CD2 | CE2 | CZ2 | CL | 178.0° | 179.7° |
| CZ2 | CE2 | CD2 | CE3 | 0.9° | 0.0° |
| CE2 | CZ2 | CH2 | CZ3 | 0.3° | 0.6° |
| CE2 | CZ2 | CH2 | CL | 178.7° | 179.3° |
| CE2 | CZ2 | CH2 | HH2 | 179.7° | 179.7° |
| CD2 | CE3 | CZ3 | HE3 | 180.0° | 179.9° |
| CD2 | CE3 | CZ3 | CH2 | 0.8° | 0.1° |
| CD2 | CE3 | CZ3 | HZ3 | 179.2° | 180.0° |
| CE3 | CZ3 | CH2 | HZ3 | 180.0° | 180.0° |
| CE3 | CZ3 | CH2 | CZ2 | 1.0° | 0.4° |
| CE3 | CZ3 | CH2 | HH2 | 179.0° | 180.0° |
| HE3 | CE3 | CZ3 | CH2 | 179.2° | 179.9° |
| HE3 | CE3 | CZ3 | HZ3 | 0.8° | 0.1° |
| CZ3 | CH2 | CZ2 | HH2 | 180.0° | 179.6° |
| CZ3 | CH2 | CZ2 | CL | 178.9° | 179.9° |
| HZ3 | CZ3 | CH2 | CZ2 | 179.0° | 179.6° |
| HZ3 | CZ3 | CH2 | HH2 | 1.0° | 0.1° |
| HH2 | CH2 | CZ2 | CL | 1.1° | 0.5° |
