B3L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.21Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| CB | C | sing | 1.51Å | 1.50Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CG | CA | sing | 1.53Å | 1.52Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CD | CG | sing | 1.53Å | 1.51Å | |
| CD | CE1 | sing | 1.53Å | 1.53Å | |
| CE2 | CD | sing | 1.53Å | 1.52Å | |
| CE2 | H1E2 | sing | 1.09Å | 1.10Å | |
| CE1 | H1E1 | sing | 1.09Å | 1.10Å | |
| CE1 | H3E1 | sing | 1.09Å | 1.10Å | |
| HB1 | CB | sing | 1.09Å | 1.10Å | |
| HB2 | CB | sing | 1.09Å | 1.10Å | |
| H | N | sing | 1.01Å | 1.00Å | |
| HGA | CG | sing | 1.09Å | 1.10Å | |
| HD | CD | sing | 1.09Å | 1.10Å | |
| H3E2 | CE2 | sing | 1.09Å | 1.10Å | |
| H2E2 | CE2 | sing | 1.09Å | 1.10Å | |
| H2E1 | CE1 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 119.8° | 120.0° |
| O | C | CB | 120.3° | 120.0° |
| OXT | C | CB | 119.9° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| C | CB | CA | 113.6° | 109.5° |
| C | CB | HB1 | 108.1° | 109.5° |
| C | CB | HB2 | 107.1° | 109.5° |
| CB | CA | HA | 112.5° | 109.4° |
| CB | CA | N | 108.1° | 109.5° |
| CB | CA | CG | 107.4° | 109.5° |
| CA | CB | HB1 | 108.1° | 109.4° |
| CA | CB | HB2 | 107.1° | 109.4° |
| HA | CA | N | 108.2° | 109.5° |
| HA | CA | CG | 108.9° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | CG | 111.9° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| H2 | N | H | 109.4° | 111.0° |
| CA | CG | HG | 108.1° | 109.5° |
| CA | CG | CD | 113.6° | 109.5° |
| CA | CG | HGA | 107.2° | 109.5° |
| HG | CG | CD | 108.1° | 109.5° |
| HG | CG | HGA | 112.7° | 109.5° |
| CG | CD | CE1 | 111.9° | 109.5° |
| CG | CD | CE2 | 109.2° | 109.5° |
| CD | CG | HGA | 107.2° | 109.4° |
| CG | CD | HD | 108.4° | 109.5° |
| CE1 | CD | CE2 | 110.7° | 109.5° |
| CD | CE1 | H1E1 | 109.5° | 109.5° |
| CD | CE1 | H3E1 | 109.5° | 109.4° |
| CE1 | CD | HD | 106.9° | 109.5° |
| CD | CE1 | H2E1 | 109.5° | 109.5° |
| CD | CE2 | H1E2 | 109.5° | 109.5° |
| CE2 | CD | HD | 109.7° | 109.4° |
| CD | CE2 | H3E2 | 109.5° | 109.5° |
| CD | CE2 | H2E2 | 109.5° | 109.5° |
| H1E2 | CE2 | H3E2 | 109.5° | 109.5° |
| H1E2 | CE2 | H2E2 | 109.5° | 109.5° |
| H1E1 | CE1 | H3E1 | 109.5° | 109.5° |
| H1E1 | CE1 | H2E1 | 109.4° | 109.5° |
| H3E1 | CE1 | H2E1 | 109.5° | 109.5° |
| HB1 | CB | HB2 | 112.8° | 109.5° |
| H3E2 | CE2 | H2E2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CB | 180.0° | 179.8° |
| O | C | CB | CA | 55.1° | 0.1° |
| O | C | CB | HB1 | 175.2° | 120.0° |
| O | C | CB | HB2 | 63.0° | 119.9° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| OXT | C | CB | CA | 124.8° | 179.7° |
| OXT | C | CB | HB1 | 4.8° | 59.8° |
| OXT | C | CB | HB2 | 117.0° | 60.3° |
| C | CB | CA | HB1 | 120.0° | 120.0° |
| C | CB | CA | HB2 | 118.1° | 120.1° |
| C | CB | CA | HA | 29.6° | 55.0° |
| C | CB | CA | N | 89.8° | 65.0° |
| C | CB | CA | CG | 149.3° | 175.0° |
| C | CB | HB1 | HB2 | 118.3° | 120.1° |
| CB | C | OXT | HXT | 180.0° | 179.7° |
| CB | CA | HA | N | 119.4° | 120.0° |
| CB | CA | HA | CG | 118.9° | 120.0° |
| CB | CA | N | CG | 118.0° | 120.0° |
| CB | CA | N | H2 | 102.3° | 173.9° |
| CB | CA | CG | HG | 53.4° | 65.5° |
| CB | CA | CG | CD | 173.4° | 174.5° |
| CA | CB | HB1 | HB2 | 118.3° | 119.9° |
| CB | CA | N | H | 137.7° | 62.1° |
| CB | CA | CG | HGA | 68.3° | 54.5° |
| HA | CA | N | CG | 119.9° | 120.0° |
| HA | CA | N | H2 | 135.6° | 53.9° |
| HA | CA | CG | HG | 175.5° | 174.5° |
| HA | CA | CG | CD | 64.5° | 54.5° |
| HA | CA | CB | HB1 | 149.6° | 175.0° |
| HA | CA | CB | HB2 | 88.6° | 65.1° |
| HA | CA | N | H | 15.6° | 177.9° |
| HA | CA | CG | HGA | 53.7° | 65.5° |
| CA | N | H2 | H | 120.0° | 124.0° |
| N | CA | CG | HG | 65.0° | 54.5° |
| N | CA | CG | CD | 55.0° | 65.5° |
| N | CA | CB | HB1 | 30.2° | 55.0° |
| N | CA | CB | HB2 | 152.0° | 175.0° |
| N | CA | CG | HGA | 173.2° | 174.5° |
| H2 | N | CA | CG | 15.8° | 66.1° |
| CA | CG | HG | CD | 123.4° | 120.0° |
| CA | CG | HG | HGA | 118.3° | 120.0° |
| CA | CG | CD | HGA | 118.2° | 120.0° |
| CA | CG | CD | CE1 | 65.6° | 65.7° |
| CA | CG | CD | CE2 | 171.5° | 174.3° |
| CG | CA | CB | HB1 | 90.7° | 65.0° |
| CG | CA | CB | HB2 | 31.2° | 55.0° |
| CG | CA | N | H | 104.2° | 57.9° |
| CA | CG | CD | HD | 52.0° | 54.3° |
| HG | CG | CD | HGA | 121.8° | 120.0° |
| HG | CG | CD | CE1 | 174.4° | 174.3° |
| HG | CG | CD | CE2 | 51.5° | 54.3° |
| HG | CG | CD | HD | 68.0° | 65.7° |
| CG | CD | CE1 | CE2 | 122.0° | 120.0° |
| CG | CD | CE1 | HD | 118.6° | 120.0° |
| CG | CD | CE2 | HD | 118.7° | 120.0° |
| CG | CD | CE2 | H1E2 | 96.5° | 58.7° |
| CG | CD | CE1 | H1E1 | 17.5° | 60.0° |
| CG | CD | CE1 | H3E1 | 102.5° | 180.0° |
| CG | CD | CE2 | H3E2 | 143.5° | 178.7° |
| CG | CD | CE2 | H2E2 | 23.5° | 61.3° |
| CG | CD | CE1 | H2E1 | 137.5° | 60.0° |
| CE1 | CD | CE2 | HD | 117.7° | 120.0° |
| CE1 | CD | CE2 | H1E2 | 27.1° | 61.3° |
| CD | CE1 | H1E1 | H3E1 | 120.0° | 120.0° |
| CD | CE1 | H1E1 | H2E1 | 120.0° | 120.0° |
| CD | CE1 | H3E1 | H2E1 | 120.0° | 120.0° |
| CE1 | CD | CG | HGA | 52.6° | 54.3° |
| CE1 | CD | CE2 | H3E2 | 92.9° | 58.7° |
| CE1 | CD | CE2 | H2E2 | 147.1° | 178.7° |
| CD | CE2 | H1E2 | H3E2 | 120.0° | 120.0° |
| CD | CE2 | H1E2 | H2E2 | 120.0° | 120.0° |
| CE2 | CD | CE1 | H1E1 | 104.5° | 180.0° |
| CE2 | CD | CE1 | H3E1 | 135.5° | 60.0° |
| CE2 | CD | CG | HGA | 70.3° | 65.7° |
| CD | CE2 | H3E2 | H2E2 | 120.0° | 120.0° |
| CE2 | CD | CE1 | H2E1 | 15.4° | 60.0° |
| H1E2 | CE2 | CD | HD | 144.8° | 178.7° |
| H1E2 | CE2 | H3E2 | H2E2 | 120.0° | 120.0° |
| H1E1 | CE1 | H3E1 | H2E1 | 120.0° | 120.0° |
| H1E1 | CE1 | CD | HD | 136.1° | 60.0° |
| H3E1 | CE1 | CD | HD | 16.0° | 60.0° |
| HGA | CG | CD | HD | 170.2° | 174.3° |
| HD | CD | CE2 | H3E2 | 24.8° | 61.3° |
| HD | CD | CE2 | H2E2 | 95.2° | 58.7° |
| HD | CD | CE1 | H2E1 | 104.0° | 180.0° |
