BBL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OG2 | CB2 | sing | 1.34Å | 1.25Å | |
| OG2 | HG2 | sing | 0.97Å | 0.95Å | |
| CB2 | OG1 | doub | 1.21Å | 1.25Å | |
| CB2 | CA | sing | 1.51Å | 1.51Å | |
| CA | CBZ | sing | 1.53Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.44Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| CBZ | HBZ1 | sing | 1.09Å | 1.11Å | |
| CBZ | HBZ2 | sing | 1.09Å | 1.12Å | |
| CBZ | HBZ3 | sing | 1.09Å | 1.11Å | |
| N | C | sing | 1.35Å | 1.32Å | |
| N | HN | sing | 0.97Å | 1.02Å | |
| C | O | doub | 1.22Å | 1.22Å | |
| C | OEZ | sing | 1.35Å | 1.45Å | |
| OEZ | CB | sing | 1.45Å | 1.42Å | |
| CB | CG | sing | 1.51Å | 1.51Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CG | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.10Å | |
| CE1 | CZ | doub | 1.38Å | 1.39Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.10Å | |
| CZ | CE2 | sing | 1.38Å | 1.39Å | Aromatic |
| CZ | HZ | sing | 1.08Å | 1.10Å | |
| CE2 | CD2 | doub | 1.38Å | 1.39Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.10Å | |
| CD2 | HD2 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CB2 | OG2 | HG2 | 121.5° | 120.0° |
| OG2 | CB2 | OG1 | 121.4° | 120.0° |
| OG2 | CB2 | CA | 119.1° | 120.0° |
| OG1 | CB2 | CA | 119.5° | 120.0° |
| CB2 | CA | CBZ | 113.7° | 109.4° |
| CB2 | CA | N | 111.4° | 109.4° |
| CB2 | CA | HA | 104.6° | 109.4° |
| CBZ | CA | N | 108.0° | 109.5° |
| CBZ | CA | HA | 108.3° | 109.5° |
| CA | CBZ | HBZ1 | 110.7° | 109.5° |
| CA | CBZ | HBZ2 | 113.7° | 109.4° |
| CA | CBZ | HBZ3 | 110.7° | 109.5° |
| N | CA | HA | 110.7° | 109.5° |
| CA | N | C | 122.5° | 119.9° |
| CA | N | HN | 123.3° | 120.1° |
| HBZ1 | CBZ | HBZ2 | 110.7° | 109.5° |
| HBZ1 | CBZ | HBZ3 | 99.6° | 109.5° |
| HBZ2 | CBZ | HBZ3 | 110.7° | 109.5° |
| C | N | HN | 114.2° | 120.0° |
| N | C | O | 124.9° | 120.0° |
| N | C | OEZ | 114.4° | 120.0° |
| O | C | OEZ | 120.6° | 120.0° |
| C | OEZ | CB | 120.6° | 120.0° |
| OEZ | CB | CG | 108.8° | 109.5° |
| OEZ | CB | HB1 | 112.5° | 109.4° |
| OEZ | CB | HB2 | 112.5° | 109.5° |
| CG | CB | HB1 | 112.5° | 109.5° |
| CG | CB | HB2 | 112.4° | 109.5° |
| CB | CG | CD1 | 119.3° | 120.0° |
| CB | CG | CD2 | 120.3° | 120.0° |
| HB1 | CB | HB2 | 98.0° | 109.5° |
| CD1 | CG | CD2 | 120.4° | 120.0° |
| CG | CD1 | CE1 | 119.5° | 120.0° |
| CG | CD1 | HD1 | 120.3° | 120.0° |
| CG | CD2 | CE2 | 119.9° | 120.0° |
| CG | CD2 | HD2 | 120.2° | 120.0° |
| CE1 | CD1 | HD1 | 120.2° | 119.9° |
| CD1 | CE1 | CZ | 120.1° | 119.9° |
| CD1 | CE1 | HE1 | 119.9° | 120.1° |
| CZ | CE1 | HE1 | 120.0° | 120.0° |
| CE1 | CZ | CE2 | 120.3° | 120.0° |
| CE1 | CZ | HZ | 119.8° | 120.0° |
| CE2 | CZ | HZ | 119.8° | 120.0° |
| CZ | CE2 | CD2 | 119.7° | 120.0° |
| CZ | CE2 | HE2 | 120.2° | 120.0° |
| CD2 | CE2 | HE2 | 120.1° | 120.0° |
| CE2 | CD2 | HD2 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OG2 | CB2 | OG1 | CA | 178.6° | 180.0° |
| OG2 | CB2 | CA | CBZ | 58.6° | 60.0° |
| OG2 | CB2 | CA | N | 179.0° | 180.0° |
| OG2 | CB2 | CA | HA | 59.3° | 60.0° |
| HG2 | OG2 | CB2 | OG1 | 180.0° | 0.0° |
| HG2 | OG2 | CB2 | CA | 1.4° | 180.0° |
| OG1 | CB2 | CA | CBZ | 122.8° | 120.0° |
| OG1 | CB2 | CA | N | 0.4° | 0.0° |
| OG1 | CB2 | CA | HA | 119.3° | 120.0° |
| CB2 | CA | CBZ | N | 124.2° | 119.9° |
| CB2 | CA | CBZ | HA | 115.8° | 120.0° |
| CB2 | CA | N | HA | 116.0° | 120.0° |
| CB2 | CA | CBZ | HBZ1 | 54.7° | 60.0° |
| CB2 | CA | CBZ | HBZ2 | 180.0° | 180.0° |
| CB2 | CA | CBZ | HBZ3 | 54.7° | 60.0° |
| CB2 | CA | N | C | 84.9° | 155.0° |
| CB2 | CA | N | HN | 95.1° | 25.0° |
| CBZ | CA | N | HA | 118.4° | 120.1° |
| CA | CBZ | HBZ1 | HBZ2 | 127.0° | 119.9° |
| CA | CBZ | HBZ1 | HBZ3 | 116.5° | 120.0° |
| CA | CBZ | HBZ2 | HBZ3 | 125.3° | 120.0° |
| CBZ | CA | N | C | 149.5° | 85.1° |
| CBZ | CA | N | HN | 30.4° | 95.0° |
| N | CA | CBZ | HBZ1 | 178.9° | 180.0° |
| N | CA | CBZ | HBZ2 | 55.8° | 60.1° |
| N | CA | CBZ | HBZ3 | 69.5° | 59.9° |
| CA | N | C | HN | 180.0° | 180.0° |
| CA | N | C | O | 8.7° | 0.0° |
| CA | N | C | OEZ | 171.6° | 180.0° |
| HA | CA | CBZ | HBZ1 | 61.1° | 59.9° |
| HA | CA | CBZ | HBZ2 | 64.1° | 60.0° |
| HA | CA | CBZ | HBZ3 | 170.6° | 180.0° |
| HA | CA | N | C | 31.2° | 35.0° |
| HA | CA | N | HN | 148.8° | 144.9° |
| HBZ1 | CBZ | HBZ2 | HBZ3 | 109.4° | 120.0° |
| N | C | O | OEZ | 179.8° | 179.9° |
| N | C | OEZ | CB | 173.3° | 180.0° |
| HN | N | C | O | 171.3° | 180.0° |
| HN | N | C | OEZ | 8.4° | 0.0° |
| O | C | OEZ | CB | 6.9° | 0.1° |
| C | OEZ | CB | CG | 159.1° | 180.0° |
| C | OEZ | CB | HB1 | 33.8° | 60.0° |
| C | OEZ | CB | HB2 | 75.7° | 59.9° |
| OEZ | CB | CG | HB1 | 125.3° | 119.9° |
| OEZ | CB | CG | HB2 | 125.3° | 120.1° |
| OEZ | CB | HB1 | HB2 | 118.4° | 120.0° |
| OEZ | CB | CG | CD1 | 168.9° | 89.9° |
| OEZ | CB | CG | CD2 | 11.2° | 90.3° |
| CG | CB | HB1 | HB2 | 118.4° | 120.0° |
| CB | CG | CD1 | CD2 | 180.0° | 179.8° |
| CB | CG | CD1 | CE1 | 179.9° | 180.0° |
| CB | CG | CD1 | HD1 | 0.1° | 0.0° |
| CB | CG | CD2 | CE2 | 179.9° | 179.8° |
| CB | CG | CD2 | HD2 | 0.1° | 0.2° |
| HB1 | CB | CG | CD1 | 65.9° | 30.0° |
| HB1 | CB | CG | CD2 | 114.1° | 149.8° |
| HB2 | CB | CG | CD1 | 43.6° | 150.0° |
| HB2 | CB | CG | CD2 | 136.4° | 29.8° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CG | CD1 | CE1 | CZ | 0.2° | 0.0° |
| CG | CD1 | CE1 | HE1 | 179.8° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.1° | 0.4° |
| CD1 | CG | CD2 | HD2 | 179.9° | 179.9° |
| CD2 | CG | CD1 | CE1 | 0.1° | 0.2° |
| CD2 | CG | CD1 | HD1 | 179.9° | 179.7° |
| CG | CD2 | CE2 | CZ | 0.2° | 0.4° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.6° |
| CG | CD2 | CE2 | HE2 | 179.9° | 179.7° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.2° | 0.0° |
| CD1 | CE1 | CZ | HZ | 179.8° | 179.9° |
| HD1 | CD1 | CE1 | CZ | 179.8° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.2° | 0.1° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.9° |
| CE1 | CZ | CE2 | CD2 | 0.2° | 0.2° |
| CE1 | CZ | CE2 | HE2 | 179.8° | 179.9° |
| HE1 | CE1 | CZ | CE2 | 179.8° | 180.0° |
| HE1 | CE1 | CZ | HZ | 0.2° | 0.1° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 179.9° |
| CZ | CE2 | CD2 | HD2 | 179.8° | 180.0° |
| HZ | CZ | CE2 | CD2 | 179.8° | 179.9° |
| HZ | CZ | CE2 | HE2 | 0.2° | 0.0° |
| HE2 | CE2 | CD2 | HD2 | 0.1° | 0.1° |
