OZ3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.48Å | |
| CA | CBO | sing | 1.51Å | 1.55Å | |
| CBO | CBP | sing | 1.38Å | 1.39Å | Aromatic |
| CBO | CBX | doub | 1.39Å | 1.39Å | Aromatic |
| CBP | CBQ | doub | 1.38Å | 1.40Å | Aromatic |
| CBX | CBW | sing | 1.37Å | 1.34Å | Aromatic |
| CBQ | CBR | sing | 1.39Å | 1.34Å | Aromatic |
| CBW | CBR | doub | 1.40Å | 1.34Å | Aromatic |
| CBW | CBV | sing | 1.51Å | 1.52Å | |
| CBR | CBS | sing | 1.48Å | 1.35Å | |
| CBV | NBU | sing | 1.47Å | 1.46Å | |
| CBS | NBU | doub | 1.30Å | 1.34Å | |
| CBS | NBT | sing | 1.38Å | 1.34Å | |
| CA | HA2 | sing | 1.09Å | 1.10Å | |
| CBP | HBP | sing | 1.08Å | 1.08Å | |
| CBQ | HBQ | sing | 1.08Å | 1.08Å | |
| CBV | HG8 | sing | 1.09Å | 1.10Å | |
| CBV | HBV | sing | 1.09Å | 1.10Å | |
| CBX | HBX | sing | 1.08Å | 1.08Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| NBT | H3 | sing | 0.97Å | 1.00Å | |
| NBT | HBT | sing | 0.97Å | 1.00Å | |
| NBU | HBU | sing | 0.97Å | 1.00Å | |
| CA | HA1 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | CBO | 104.2° | 109.5° |
| N | CA | HA2 | 110.8° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA1 | 110.8° | 109.4° |
| CA | CBO | CBP | 120.5° | 120.0° |
| CA | CBO | CBX | 121.8° | 119.9° |
| CBO | CA | HA2 | 110.8° | 109.5° |
| CBO | CA | HA1 | 110.7° | 109.5° |
| CBP | CBO | CBX | 117.6° | 120.1° |
| CBO | CBP | CBQ | 119.4° | 120.4° |
| CBO | CBP | HBP | 120.3° | 119.8° |
| CBO | CBX | CBW | 120.4° | 119.9° |
| CBO | CBX | HBX | 119.8° | 120.1° |
| CBP | CBQ | CBR | 120.7° | 119.8° |
| CBQ | CBP | HBP | 120.3° | 119.8° |
| CBP | CBQ | HBQ | 119.7° | 120.1° |
| CBX | CBW | CBR | 122.2° | 120.5° |
| CBX | CBW | CBV | 130.1° | 133.9° |
| CBW | CBX | HBX | 119.8° | 120.0° |
| CBQ | CBR | CBW | 119.7° | 119.3° |
| CBQ | CBR | CBS | 130.4° | 132.8° |
| CBR | CBQ | HBQ | 119.6° | 120.1° |
| CBR | CBW | CBV | 107.7° | 105.7° |
| CBW | CBR | CBS | 109.8° | 107.9° |
| CBW | CBV | NBU | 101.7° | 105.9° |
| CBW | CBV | HG8 | 111.4° | 110.1° |
| CBW | CBV | HBV | 111.4° | 110.3° |
| CBR | CBS | NBU | 112.5° | 111.0° |
| CBR | CBS | NBT | 128.5° | 124.5° |
| CBV | NBU | CBS | 108.2° | 109.5° |
| NBU | CBV | HG8 | 111.4° | 110.2° |
| NBU | CBV | HBV | 111.4° | 110.2° |
| CBV | NBU | HBU | 125.9° | 125.2° |
| NBU | CBS | NBT | 119.0° | 124.5° |
| CBS | NBU | HBU | 125.9° | 125.3° |
| CBS | NBT | H3 | 120.0° | 120.0° |
| CBS | NBT | HBT | 120.0° | 120.0° |
| HA2 | CA | HA1 | 109.5° | 109.4° |
| HG8 | CBV | HBV | 109.4° | 110.1° |
| H | N | H2 | 109.4° | 111.0° |
| H3 | NBT | HBT | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | CBO | HA2 | 119.2° | 120.1° |
| N | CA | CBO | HA1 | 119.2° | 119.9° |
| N | CA | CBO | CBP | 101.8° | 90.0° |
| N | CA | CBO | CBX | 75.3° | 90.3° |
| N | CA | HA2 | HA1 | 122.5° | 120.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| CA | CBO | CBP | CBX | 177.3° | 179.7° |
| CA | CBO | CBP | CBQ | 178.2° | 180.0° |
| CA | CBO | CBX | CBW | 178.1° | 179.8° |
| CBO | CA | HA2 | HA1 | 122.4° | 120.0° |
| CA | CBO | CBP | HBP | 1.8° | 0.0° |
| CA | CBO | CBX | HBX | 1.8° | 0.0° |
| CBO | CA | N | H | 180.0° | 180.0° |
| CBO | CA | N | H2 | 60.0° | 56.1° |
| CBO | CBP | CBQ | HBP | 180.0° | 180.0° |
| CBP | CBO | CBX | CBW | 0.9° | 0.5° |
| CBO | CBP | CBQ | CBR | 0.1° | 0.0° |
| CBP | CBO | CA | HA2 | 17.4° | 150.0° |
| CBO | CBP | CBQ | HBQ | 179.9° | 180.0° |
| CBP | CBO | CBX | HBX | 179.1° | 179.7° |
| CBP | CBO | CA | HA1 | 139.0° | 30.0° |
| CBX | CBO | CBP | CBQ | 1.0° | 0.2° |
| CBO | CBX | CBW | HBX | 180.0° | 179.8° |
| CBO | CBX | CBW | CBR | 0.2° | 0.4° |
| CBO | CBX | CBW | CBV | 179.6° | 179.8° |
| CBX | CBO | CA | HA2 | 165.5° | 29.8° |
| CBX | CBO | CBP | HBP | 179.1° | 179.7° |
| CBX | CBO | CA | HA1 | 43.8° | 149.8° |
| CBP | CBQ | CBR | HBQ | 180.0° | 180.0° |
| CBP | CBQ | CBR | CBW | 1.2° | 0.0° |
| CBP | CBQ | CBR | CBS | 179.6° | 180.0° |
| CBX | CBW | CBR | CBQ | 1.3° | 0.2° |
| CBX | CBW | CBR | CBV | 179.8° | 179.8° |
| CBX | CBW | CBR | CBS | 180.0° | 179.8° |
| CBX | CBW | CBV | NBU | 179.0° | 179.8° |
| CBX | CBW | CBV | HG8 | 62.2° | 60.6° |
| CBX | CBW | CBV | HBV | 60.3° | 61.1° |
| CBQ | CBR | CBW | CBS | 178.7° | 180.0° |
| CBQ | CBR | CBW | CBV | 178.5° | 180.0° |
| CBQ | CBR | CBS | NBU | 177.3° | 180.0° |
| CBQ | CBR | CBS | NBT | 2.9° | 0.1° |
| CBR | CBQ | CBP | HBP | 179.9° | 180.0° |
| CBR | CBW | CBV | NBU | 0.8° | 0.0° |
| CBW | CBR | CBS | NBU | 1.2° | 0.0° |
| CBW | CBR | CBS | NBT | 178.6° | 179.9° |
| CBW | CBR | CBQ | HBQ | 178.8° | 180.0° |
| CBR | CBW | CBV | HG8 | 118.0° | 119.1° |
| CBR | CBW | CBV | HBV | 119.5° | 119.2° |
| CBR | CBW | CBX | HBX | 179.8° | 179.7° |
| CBV | CBW | CBR | CBS | 0.2° | 0.0° |
| CBW | CBV | NBU | HG8 | 118.8° | 119.1° |
| CBW | CBV | NBU | HBV | 118.8° | 119.3° |
| CBW | CBV | NBU | CBS | 1.4° | 0.0° |
| CBW | CBV | HG8 | HBV | 123.6° | 121.8° |
| CBV | CBW | CBX | HBX | 0.4° | 0.0° |
| CBW | CBV | NBU | HBU | 178.5° | 180.0° |
| CBR | CBS | NBU | CBV | 1.7° | 0.0° |
| CBR | CBS | NBU | NBT | 179.8° | 180.0° |
| CBS | CBR | CBQ | HBQ | 0.4° | 0.0° |
| CBR | CBS | NBT | H3 | 179.7° | 0.1° |
| CBR | CBS | NBT | HBT | 0.2° | 179.9° |
| CBR | CBS | NBU | HBU | 178.3° | 180.0° |
| CBV | NBU | CBS | HBU | 180.0° | 180.0° |
| CBV | NBU | CBS | NBT | 178.1° | 180.0° |
| NBU | CBV | HG8 | HBV | 123.6° | 121.7° |
| CBS | NBU | CBV | HG8 | 117.3° | 119.1° |
| CBS | NBU | CBV | HBV | 120.2° | 119.3° |
| NBU | CBS | NBT | H3 | 0.0° | 180.0° |
| NBU | CBS | NBT | HBT | 180.0° | 0.1° |
| CBS | NBT | H3 | HBT | 180.0° | 179.9° |
| NBT | CBS | NBU | HBU | 1.9° | 0.0° |
| HA2 | CA | N | H | 60.8° | 59.9° |
| HA2 | CA | N | H2 | 59.1° | 176.1° |
| HBP | CBP | CBQ | HBQ | 0.1° | 0.0° |
| HG8 | CBV | NBU | HBU | 62.7° | 60.9° |
| HBV | CBV | NBU | HBU | 59.8° | 60.8° |
| H | N | CA | HA1 | 60.9° | 60.0° |
| H2 | N | CA | HA1 | 179.2° | 63.9° |
