NA8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| N | CA | sing | 1.47Å | 1.49Å | |
| C1 | C2 | sing | 1.36Å | 1.38Å | Aromatic |
| C1 | C8A | doub | 1.41Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C9 | sing | 1.51Å | 1.50Å | |
| C3 | C4 | sing | 1.36Å | 1.38Å | Aromatic |
| C4 | C4A | doub | 1.40Å | 1.38Å | Aromatic |
| C4A | C5 | sing | 1.41Å | 1.38Å | Aromatic |
| C4A | C8A | sing | 1.42Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.36Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.39Å | Aromatic |
| C8 | C8A | sing | 1.41Å | 1.38Å | Aromatic |
| C9 | CA | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H3 | sing | 1.01Å | 1.00Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 120.8° | 120.0° |
| O | C | OXT | 124.0° | 120.0° |
| CA | C | OXT | 115.2° | 120.0° |
| C | CA | N | 107.8° | 109.5° |
| C | CA | C9 | 113.0° | 109.5° |
| C | CA | HA | 108.4° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| N | CA | C9 | 109.9° | 109.5° |
| N | CA | HA | 111.6° | 109.5° |
| CA | N | H | 109.5° | 109.4° |
| CA | N | H2 | 109.4° | 109.4° |
| CA | N | H3 | 109.4° | 109.4° |
| C2 | C1 | C8A | 120.7° | 119.7° |
| C1 | C2 | C3 | 116.7° | 121.0° |
| C1 | C2 | C9 | 120.9° | 119.5° |
| C2 | C1 | H1 | 119.6° | 120.2° |
| C1 | C8A | C4A | 121.1° | 119.4° |
| C1 | C8A | C8 | 120.4° | 121.3° |
| C8A | C1 | H1 | 119.6° | 120.2° |
| C3 | C2 | C9 | 122.3° | 119.5° |
| C2 | C3 | C4 | 124.1° | 121.0° |
| C2 | C3 | H9 | 117.9° | 119.5° |
| C2 | C9 | CA | 114.4° | 109.5° |
| C2 | C9 | H91C | 107.9° | 109.4° |
| C2 | C9 | H92C | 106.7° | 109.5° |
| C3 | C4 | C4A | 117.7° | 119.6° |
| C4 | C3 | H9 | 118.0° | 119.5° |
| C3 | C4 | H4 | 121.1° | 120.2° |
| C4 | C4A | C5 | 118.5° | 121.3° |
| C4 | C4A | C8A | 119.6° | 119.4° |
| C4A | C4 | H4 | 121.2° | 120.2° |
| C5 | C4A | C8A | 121.9° | 119.3° |
| C4A | C5 | C6 | 118.4° | 119.7° |
| C4A | C5 | H5 | 120.8° | 120.1° |
| C4A | C8A | C8 | 118.5° | 119.4° |
| C5 | C6 | C7 | 121.0° | 121.0° |
| C6 | C5 | H5 | 120.8° | 120.2° |
| C5 | C6 | H6 | 119.5° | 119.5° |
| C6 | C7 | C8 | 119.8° | 121.0° |
| C7 | C6 | H6 | 119.5° | 119.5° |
| C6 | C7 | H7 | 120.1° | 119.5° |
| C7 | C8 | C8A | 120.5° | 119.6° |
| C8 | C7 | H7 | 120.1° | 119.5° |
| C7 | C8 | H8 | 119.8° | 120.2° |
| C8A | C8 | H8 | 119.7° | 120.2° |
| C9 | CA | HA | 106.3° | 109.5° |
| CA | C9 | H91C | 107.8° | 109.5° |
| CA | C9 | H92C | 106.7° | 109.5° |
| H | N | H2 | 109.5° | 109.5° |
| H | N | H3 | 109.4° | 109.5° |
| H2 | N | H3 | 109.5° | 109.5° |
| H91C | C9 | H92C | 113.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 179.9° | 179.7° |
| O | C | CA | N | 42.1° | 20.0° |
| O | C | CA | C9 | 79.5° | 100.0° |
| O | C | CA | HA | 163.0° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | CA | N | C9 | 123.5° | 120.0° |
| C | CA | N | HA | 118.9° | 120.0° |
| C | CA | C9 | C2 | 62.8° | 175.0° |
| C | CA | C9 | HA | 118.7° | 120.0° |
| CA | C | OXT | HXT | 179.8° | 179.7° |
| C | CA | N | H | 165.2° | 60.0° |
| C | CA | N | H2 | 74.8° | 180.0° |
| C | CA | N | H3 | 45.2° | 60.0° |
| C | CA | C9 | H91C | 57.2° | 55.0° |
| C | CA | C9 | H92C | 179.4° | 65.0° |
| OXT | C | CA | N | 138.1° | 160.3° |
| OXT | C | CA | C9 | 100.3° | 79.7° |
| OXT | C | CA | HA | 17.1° | 40.3° |
| N | CA | C9 | C2 | 176.8° | 65.0° |
| N | CA | C9 | HA | 120.9° | 120.0° |
| CA | N | H | H2 | 120.0° | 120.0° |
| CA | N | H | H3 | 120.0° | 119.9° |
| CA | N | H2 | H3 | 120.0° | 119.9° |
| N | CA | C9 | H91C | 63.2° | 175.0° |
| N | CA | C9 | H92C | 59.0° | 55.0° |
| C2 | C1 | C8A | H1 | 180.0° | 179.8° |
| C1 | C2 | C3 | C9 | 179.8° | 180.0° |
| C1 | C2 | C3 | C4 | 0.5° | 0.1° |
| C2 | C1 | C8A | C4A | 0.5° | 0.0° |
| C2 | C1 | C8A | C8 | 179.7° | 179.9° |
| C1 | C2 | C9 | CA | 80.7° | 90.0° |
| C1 | C2 | C3 | H9 | 179.5° | 180.0° |
| C1 | C2 | C9 | H91C | 39.2° | 150.0° |
| C1 | C2 | C9 | H92C | 161.4° | 30.1° |
| C8A | C1 | C2 | C3 | 0.7° | 0.0° |
| C8A | C1 | C2 | C9 | 179.4° | 180.0° |
| C1 | C8A | C4A | C4 | 0.1° | 0.0° |
| C1 | C8A | C4A | C5 | 179.8° | 179.9° |
| C1 | C8A | C4A | C8 | 179.7° | 179.9° |
| C1 | C8A | C8 | C7 | 179.3° | 180.0° |
| C1 | C8A | C8 | H8 | 0.6° | 0.1° |
| C2 | C3 | C4 | H9 | 180.0° | 179.9° |
| C2 | C3 | C4 | C4A | 0.1° | 0.1° |
| C3 | C2 | C9 | CA | 99.4° | 90.0° |
| C3 | C2 | C1 | H1 | 179.3° | 179.7° |
| C3 | C2 | C9 | H91C | 140.6° | 30.0° |
| C3 | C2 | C9 | H92C | 18.4° | 149.9° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| C9 | C2 | C3 | C4 | 179.6° | 180.0° |
| C2 | C9 | CA | H91C | 120.0° | 120.0° |
| C2 | C9 | CA | H92C | 117.8° | 120.0° |
| C2 | C9 | CA | HA | 56.0° | 55.0° |
| C9 | C2 | C1 | H1 | 0.5° | 0.2° |
| C9 | C2 | C3 | H9 | 0.4° | 0.1° |
| C2 | C9 | H91C | H92C | 118.0° | 120.0° |
| C3 | C4 | C4A | H4 | 180.0° | 179.9° |
| C3 | C4 | C4A | C5 | 180.0° | 180.0° |
| C3 | C4 | C4A | C8A | 0.1° | 0.0° |
| C4 | C4A | C5 | C8A | 179.9° | 179.9° |
| C4 | C4A | C5 | C6 | 179.7° | 180.0° |
| C4 | C4A | C8A | C8 | 179.8° | 179.9° |
| C4A | C4 | C3 | H9 | 179.9° | 180.0° |
| C4 | C4A | C5 | H5 | 0.3° | 0.1° |
| C4A | C5 | C6 | H5 | 180.0° | 179.9° |
| C4A | C5 | C6 | C7 | 0.1° | 0.1° |
| C5 | C4A | C8A | C8 | 0.1° | 0.0° |
| C5 | C4A | C4 | H4 | 0.0° | 0.1° |
| C4A | C5 | C6 | H6 | 179.8° | 180.0° |
| C8A | C4A | C5 | C6 | 0.2° | 0.1° |
| C4A | C8A | C8 | C7 | 0.4° | 0.1° |
| C4A | C8A | C1 | H1 | 179.5° | 179.8° |
| C8A | C4A | C4 | H4 | 179.9° | 180.0° |
| C8A | C4A | C5 | H5 | 179.8° | 180.0° |
| C4A | C8A | C8 | H8 | 179.6° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.6° | 0.0° |
| C5 | C6 | C7 | H7 | 179.4° | 180.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C8A | 0.7° | 0.1° |
| C7 | C6 | C5 | H5 | 179.9° | 180.0° |
| C6 | C7 | C8 | H8 | 179.3° | 180.0° |
| C7 | C8 | C8A | H8 | 180.0° | 179.9° |
| C8 | C7 | C6 | H6 | 179.4° | 180.0° |
| C8 | C8A | C1 | H1 | 0.2° | 0.3° |
| C8A | C8 | C7 | H7 | 179.3° | 179.9° |
| C9 | CA | N | H | 41.7° | 60.0° |
| C9 | CA | N | H2 | 161.7° | 60.0° |
| C9 | CA | N | H3 | 78.3° | 180.0° |
| CA | C9 | H91C | H92C | 118.0° | 120.0° |
| HA | CA | N | H | 75.9° | 180.0° |
| HA | CA | N | H2 | 44.1° | 60.0° |
| HA | CA | N | H3 | 164.1° | 60.0° |
| HA | CA | C9 | H91C | 175.9° | 65.0° |
| HA | CA | C9 | H92C | 61.9° | 175.0° |
| H | N | H2 | H3 | 120.0° | 120.1° |
| H9 | C3 | C4 | H4 | 0.1° | 0.1° |
| H5 | C5 | C6 | H6 | 0.1° | 0.1° |
| H6 | C6 | C7 | H7 | 0.6° | 0.0° |
| H7 | C7 | C8 | H8 | 0.7° | 0.0° |
