BIF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.44Å | 1.47Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.52Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | HA | sing | 1.10Å | 1.12Å | |
| C | OXT | sing | 1.35Å | 1.23Å | |
| C | O | doub | 1.23Å | 58.77Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å | |
| CB | CG | sing | 1.51Å | 1.53Å | |
| CB | HB2 | sing | 1.10Å | 1.11Å | |
| CB | HB3 | sing | 1.10Å | 1.11Å | |
| CG | CD2 | doub | 1.39Å | 1.41Å | Aromatic |
| CG | CD1 | sing | 1.39Å | 1.42Å | Aromatic |
| CD2 | CE2 | sing | 1.39Å | 1.40Å | Aromatic |
| CD2 | HD2 | sing | 1.09Å | 1.10Å | |
| CE2 | CZ | doub | 1.39Å | 1.44Å | Aromatic |
| CE2 | HE2 | sing | 1.09Å | 1.10Å | |
| CZ | CE1 | sing | 1.39Å | 1.46Å | Aromatic |
| CZ | C12 | sing | 1.45Å | 1.41Å | Aromatic |
| CE1 | CD1 | doub | 1.39Å | 1.42Å | Aromatic |
| CE1 | HE1 | sing | 1.09Å | 1.10Å | |
| CD1 | HD1 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.39Å | 1.44Å | Aromatic |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | doub | 1.40Å | 1.45Å | Aromatic |
| C13 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.8° | 119.1° |
| CA | N | H2 | 112.1° | 118.9° |
| N | CA | C | 109.8° | 111.2° |
| N | CA | CB | 108.7° | 111.2° |
| N | CA | HA | 109.8° | 106.2° |
| H | N | H2 | 112.1° | 120.6° |
| C | CA | CB | 109.5° | 110.0° |
| C | CA | HA | 109.0° | 106.9° |
| CA | C | OXT | 121.2° | 114.9° |
| CA | C | O | 63.4° | 123.0° |
| CB | CA | HA | 110.1° | 111.3° |
| CA | CB | CG | 119.5° | 113.0° |
| CA | CB | HB2 | 108.6° | 110.4° |
| CA | CB | HB3 | 108.6° | 110.1° |
| OXT | C | O | 132.7° | 122.1° |
| C | OXT | HXT | 121.2° | 114.9° |
| CG | CB | HB2 | 108.6° | 108.1° |
| CG | CB | HB3 | 108.6° | 109.7° |
| CB | CG | CD2 | 118.5° | 119.4° |
| CB | CG | CD1 | 121.5° | 119.3° |
| HB2 | CB | HB3 | 101.4° | 105.2° |
| CD2 | CG | CD1 | 120.0° | 121.3° |
| CG | CD2 | CE2 | 120.9° | 119.4° |
| CG | CD2 | HD2 | 119.7° | 121.1° |
| CG | CD1 | CE1 | 119.6° | 119.3° |
| CG | CD1 | HD1 | 120.2° | 121.2° |
| CE2 | CD2 | HD2 | 119.5° | 119.5° |
| CD2 | CE2 | CZ | 121.7° | 120.0° |
| CD2 | CE2 | HE2 | 118.0° | 119.1° |
| CZ | CE2 | HE2 | 120.4° | 120.9° |
| CE2 | CZ | CE1 | 116.1° | 120.0° |
| CE2 | CZ | C12 | 121.4° | 120.0° |
| CE1 | CZ | C12 | 122.5° | 120.0° |
| CZ | CE1 | CD1 | 121.7° | 120.0° |
| CZ | CE1 | HE1 | 120.6° | 120.9° |
| CZ | C12 | C11 | 123.0° | 120.0° |
| CZ | C12 | C13 | 120.7° | 120.0° |
| CD1 | CE1 | HE1 | 117.8° | 119.1° |
| CE1 | CD1 | HD1 | 120.2° | 119.5° |
| C9 | C8 | C13 | 119.6° | 120.0° |
| C9 | C8 | H8 | 120.2° | 120.0° |
| C8 | C9 | C10 | 120.5° | 120.0° |
| C8 | C9 | H9 | 119.6° | 120.0° |
| C13 | C8 | H8 | 120.2° | 120.0° |
| C8 | C13 | C12 | 122.0° | 120.0° |
| C8 | C13 | H13 | 117.5° | 119.2° |
| C10 | C9 | H9 | 119.9° | 120.0° |
| C9 | C10 | C11 | 120.1° | 120.0° |
| C9 | C10 | H10 | 120.0° | 120.0° |
| C11 | C10 | H10 | 119.9° | 120.0° |
| C10 | C11 | C12 | 121.5° | 120.0° |
| C10 | C11 | H11 | 118.3° | 119.2° |
| C12 | C11 | H11 | 120.2° | 120.8° |
| C11 | C12 | C13 | 116.3° | 120.0° |
| C12 | C13 | H13 | 120.6° | 120.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.3° | 166.4° |
| N | CA | C | CB | 119.3° | 123.6° |
| N | CA | C | HA | 120.3° | 115.4° |
| N | CA | CB | HA | 120.2° | 118.2° |
| N | CA | C | OXT | 9.6° | 145.1° |
| N | CA | C | O | 116.2° | 34.6° |
| N | CA | CB | CG | 74.3° | 158.2° |
| N | CA | CB | HB2 | 51.0° | 37.0° |
| N | CA | CB | HB3 | 160.5° | 78.8° |
| H | N | CA | C | 180.0° | 92.9° |
| H | N | CA | CB | 60.3° | 144.2° |
| H | N | CA | HA | 60.2° | 23.0° |
| H2 | N | CA | C | 54.7° | 100.5° |
| H2 | N | CA | CB | 65.0° | 22.4° |
| H2 | N | CA | HA | 174.6° | 143.6° |
| C | CA | CB | HA | 119.8° | 118.3° |
| CA | C | OXT | O | 81.2° | 179.7° |
| CA | C | OXT | HXT | 179.9° | 179.6° |
| C | CA | CB | CG | 165.7° | 78.3° |
| C | CA | CB | HB2 | 69.0° | 160.6° |
| C | CA | CB | HB3 | 40.5° | 44.8° |
| CB | CA | C | OXT | 109.7° | 91.4° |
| CB | CA | C | O | 124.5° | 89.0° |
| CA | CB | CG | HB2 | 125.3° | 122.5° |
| CA | CB | CG | HB3 | 125.3° | 123.3° |
| CA | CB | HB2 | HB3 | 114.3° | 118.8° |
| CA | CB | CG | CD2 | 133.1° | 90.0° |
| CA | CB | CG | CD1 | 48.0° | 90.1° |
| HA | CA | C | OXT | 129.8° | 29.6° |
| HA | CA | C | O | 4.1° | 150.0° |
| HA | CA | CB | CG | 46.0° | 40.0° |
| HA | CA | CB | HB2 | 171.2° | 81.2° |
| HA | CA | CB | HB3 | 79.3° | 163.0° |
| O | C | OXT | HXT | 98.7° | 0.0° |
| CG | CB | HB2 | HB3 | 114.2° | 117.1° |
| CB | CG | CD2 | CD1 | 178.9° | 180.0° |
| CB | CG | CD2 | CE2 | 178.3° | 180.0° |
| CB | CG | CD2 | HD2 | 1.7° | 0.1° |
| CB | CG | CD1 | CE1 | 178.3° | 180.0° |
| CB | CG | CD1 | HD1 | 1.7° | 0.1° |
| HB2 | CB | CG | CD2 | 7.8° | 147.5° |
| HB2 | CB | CG | CD1 | 173.3° | 32.4° |
| HB3 | CB | CG | CD2 | 101.6° | 33.3° |
| HB3 | CB | CG | CD1 | 77.3° | 146.7° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.9° |
| CG | CD2 | CE2 | CZ | 0.1° | 0.0° |
| CG | CD2 | CE2 | HE2 | 179.9° | 179.9° |
| CD2 | CG | CD1 | CE1 | 0.6° | 0.1° |
| CD2 | CG | CD1 | HD1 | 179.4° | 179.9° |
| CD1 | CG | CD2 | CE2 | 0.6° | 0.1° |
| CD1 | CG | CD2 | HD2 | 179.5° | 179.9° |
| CG | CD1 | CE1 | CZ | 0.2° | 0.0° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CG | CD1 | CE1 | HE1 | 179.9° | 180.0° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.9° |
| CD2 | CE2 | CZ | CE1 | 0.3° | 0.1° |
| CD2 | CE2 | CZ | C12 | 178.1° | 180.0° |
| HD2 | CD2 | CE2 | CZ | 179.9° | 179.9° |
| HD2 | CD2 | CE2 | HE2 | 0.0° | 0.2° |
| CE2 | CZ | CE1 | C12 | 178.4° | 179.9° |
| CE2 | CZ | CE1 | CD1 | 0.3° | 0.1° |
| CE2 | CZ | CE1 | HE1 | 179.7° | 179.9° |
| CE2 | CZ | C12 | C11 | 144.2° | 90.0° |
| CE2 | CZ | C12 | C13 | 37.1° | 90.0° |
| HE2 | CE2 | CZ | CE1 | 179.6° | 179.9° |
| HE2 | CE2 | CZ | C12 | 2.0° | 0.1° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 180.0° |
| CZ | CE1 | CD1 | HD1 | 179.8° | 179.9° |
| CE1 | CZ | C12 | C11 | 37.5° | 90.0° |
| CE1 | CZ | C12 | C13 | 141.2° | 90.0° |
| C12 | CZ | CE1 | CD1 | 178.1° | 180.0° |
| C12 | CZ | CE1 | HE1 | 1.9° | 0.0° |
| CZ | C12 | C13 | C8 | 179.0° | 180.0° |
| CZ | C12 | C11 | C10 | 179.0° | 180.0° |
| CZ | C12 | C11 | C13 | 178.7° | 180.0° |
| CZ | C12 | C11 | H11 | 1.0° | 0.0° |
| CZ | C12 | C13 | H13 | 1.1° | 0.0° |
| HE1 | CE1 | CD1 | HD1 | 0.1° | 0.2° |
| C9 | C8 | C13 | H8 | 180.0° | 179.9° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.0° |
| C8 | C9 | C10 | H10 | 179.9° | 180.0° |
| C9 | C8 | C13 | C12 | 0.1° | 0.0° |
| C9 | C8 | C13 | H13 | 180.0° | 179.9° |
| C13 | C8 | C9 | C10 | 0.0° | 0.0° |
| C13 | C8 | C9 | H9 | 180.0° | 180.0° |
| C8 | C13 | C12 | C11 | 0.2° | 0.0° |
| C8 | C13 | C12 | H13 | 180.0° | 180.0° |
| H8 | C8 | C9 | C10 | 180.0° | 179.9° |
| H8 | C8 | C9 | H9 | 0.0° | 0.1° |
| H8 | C8 | C13 | C12 | 180.0° | 180.0° |
| H8 | C8 | C13 | H13 | 0.0° | 0.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.3° | 0.0° |
| C9 | C10 | C11 | H11 | 179.8° | 180.0° |
| H9 | C9 | C10 | C11 | 179.9° | 180.0° |
| H9 | C9 | C10 | H10 | 0.1° | 0.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.3° | 0.0° |
| H10 | C10 | C11 | C12 | 179.8° | 180.0° |
| H10 | C10 | C11 | H11 | 0.2° | 0.1° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| H11 | C11 | C12 | C13 | 179.7° | 180.0° |
