EX8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CD1 | sing | 1.49Å | 1.52Å | |
| N | CA | sing | 1.48Å | 1.47Å | |
| CD1 | CG | sing | 1.55Å | 1.52Å | |
| OD2 | CG | sing | 1.43Å | 1.43Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | CB | sing | 1.54Å | 1.53Å | |
| CG | CB | sing | 1.55Å | 1.51Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| CB | FAG | sing | 1.40Å | 1.33Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H3 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CD1 | H6 | sing | 1.09Å | 1.10Å | |
| CD1 | H7 | sing | 1.09Å | 1.10Å | |
| CG | H8 | sing | 1.09Å | 1.10Å | |
| OD2 | H9 | sing | 0.97Å | 0.95Å | |
| C | OXT | sing | 1.34Å | 83.24Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD1 | N | CA | 106.1° | 105.8° |
| N | CD1 | CG | 106.1° | 103.2° |
| CD1 | N | H | 110.3° | 111.0° |
| N | CD1 | H6 | 110.3° | 110.7° |
| N | CD1 | H7 | 110.3° | 110.7° |
| N | CA | C | 111.0° | 109.9° |
| N | CA | CB | 107.1° | 107.1° |
| N | CA | HA | 110.4° | 110.1° |
| CA | N | H | 110.3° | 111.1° |
| CD1 | CG | OD2 | 109.9° | 110.7° |
| CD1 | CG | CB | 101.4° | 102.9° |
| CG | CD1 | H6 | 110.3° | 110.7° |
| CG | CD1 | H7 | 110.3° | 110.6° |
| CD1 | CG | H8 | 110.6° | 110.7° |
| OD2 | CG | CB | 111.8° | 110.7° |
| OD2 | CG | H8 | 112.0° | 110.8° |
| CG | OD2 | H9 | 109.5° | 114.0° |
| C | CA | CB | 109.3° | 109.9° |
| CA | C | O | 120.6° | 119.9° |
| C | CA | HA | 109.6° | 109.8° |
| CA | C | OXT | 84.1° | 120.0° |
| CA | CB | CG | 102.8° | 105.2° |
| CA | CB | FAG | 110.2° | 110.3° |
| CB | CA | HA | 109.4° | 109.9° |
| CA | CB | H3 | 109.6° | 110.3° |
| CG | CB | FAG | 111.0° | 110.3° |
| CG | CB | H3 | 109.9° | 110.4° |
| CB | CG | H8 | 110.7° | 110.7° |
| O | C | OXT | 38.4° | 120.0° |
| FAG | CB | H3 | 112.8° | 110.2° |
| H6 | CD1 | H7 | 109.5° | 110.7° |
| C | OXT | HXT | 90.0° | 116.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD1 | N | CA | H | 119.5° | 120.5° |
| N | CD1 | CG | H6 | 119.4° | 118.5° |
| N | CD1 | CG | H7 | 119.5° | 118.4° |
| N | CD1 | CG | OD2 | 83.2° | 155.8° |
| CD1 | N | CA | C | 128.9° | 144.7° |
| CD1 | N | CA | CB | 9.6° | 25.4° |
| N | CD1 | CG | CB | 35.1° | 37.5° |
| CD1 | N | CA | HA | 109.4° | 94.1° |
| N | CD1 | H6 | H7 | 121.6° | 123.1° |
| N | CD1 | CG | H8 | 152.6° | 80.9° |
| CA | N | CD1 | CG | 16.0° | 39.3° |
| N | CA | C | CB | 117.9° | 117.6° |
| N | CA | C | HA | 122.2° | 121.3° |
| N | CA | CB | HA | 119.6° | 119.6° |
| N | CA | CB | CG | 31.7° | 1.2° |
| N | CA | C | O | 28.4° | 17.6° |
| N | CA | CB | FAG | 150.0° | 120.2° |
| N | CA | CB | H3 | 85.2° | 117.8° |
| CA | N | CD1 | H6 | 135.5° | 79.2° |
| CA | N | CD1 | H7 | 103.5° | 157.6° |
| N | CA | C | OXT | 16.1° | 162.7° |
| CD1 | CG | OD2 | CB | 111.8° | 113.4° |
| CD1 | CG | OD2 | H8 | 123.3° | 123.3° |
| CD1 | CG | CB | CA | 40.1° | 22.0° |
| CD1 | CG | CB | H8 | 117.3° | 118.3° |
| CD1 | CG | CB | FAG | 157.9° | 97.0° |
| CD1 | CG | CB | H3 | 76.6° | 140.9° |
| CG | CD1 | N | H | 135.5° | 81.3° |
| CG | CD1 | H6 | H7 | 121.6° | 123.0° |
| CD1 | CG | OD2 | H9 | 180.0° | 61.6° |
| OD2 | CG | CB | CA | 77.0° | 140.3° |
| OD2 | CG | CB | H8 | 125.6° | 123.4° |
| OD2 | CG | CB | FAG | 40.8° | 21.3° |
| OD2 | CG | CB | H3 | 166.3° | 100.8° |
| OD2 | CG | CD1 | H6 | 36.2° | 37.3° |
| OD2 | CG | CD1 | H7 | 157.3° | 85.8° |
| C | CA | CB | HA | 120.0° | 121.0° |
| C | CA | CB | CG | 152.0° | 120.6° |
| CA | C | O | OXT | 20.0° | 179.7° |
| C | CA | CB | FAG | 89.6° | 120.4° |
| C | CA | CB | H3 | 35.2° | 1.6° |
| C | CA | N | H | 9.4° | 24.2° |
| CA | C | OXT | HXT | 90.0° | 179.7° |
| CA | CB | CG | FAG | 117.8° | 118.9° |
| CA | CB | CG | H3 | 116.7° | 119.0° |
| CB | CA | C | O | 89.5° | 100.0° |
| CA | CB | FAG | H3 | 122.9° | 122.1° |
| CB | CA | N | H | 109.9° | 95.2° |
| CA | CB | CG | H8 | 157.4° | 96.4° |
| CB | CA | C | OXT | 101.8° | 79.7° |
| CG | CB | FAG | H3 | 123.8° | 122.2° |
| CG | CB | CA | HA | 87.9° | 118.4° |
| CB | CG | CD1 | H6 | 154.6° | 81.0° |
| CB | CG | CD1 | H7 | 84.3° | 155.8° |
| CB | CG | OD2 | H9 | 68.2° | 175.0° |
| O | C | CA | HA | 150.6° | 139.0° |
| O | C | OXT | HXT | 90.0° | 0.1° |
| FAG | CB | CA | HA | 30.4° | 0.6° |
| FAG | CB | CG | H8 | 84.8° | 144.7° |
| HA | CA | CB | H3 | 155.2° | 122.6° |
| HA | CA | N | H | 131.1° | 145.3° |
| HA | CA | C | OXT | 138.3° | 41.4° |
| H3 | CB | CG | H8 | 40.7° | 22.6° |
| H | N | CD1 | H6 | 105.0° | 160.2° |
| H | N | CD1 | H7 | 16.0° | 37.0° |
| H6 | CD1 | CG | H8 | 88.0° | 160.6° |
| H7 | CD1 | CG | H8 | 33.1° | 37.5° |
| H8 | CG | OD2 | H9 | 56.7° | 61.7° |
