B2A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.49Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | B | sing | 1.57Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| B | O1 | sing | 1.42Å | 1.49Å | |
| B | O2 | sing | 1.42Å | 1.47Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | CB | 110.5° | 109.4° |
| N | CA | B | 113.7° | 109.5° |
| N | CA | HA | 107.1° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| CB | CA | B | 113.1° | 109.5° |
| CB | CA | HA | 107.8° | 109.4° |
| CA | CB | HB1 | 109.5° | 109.5° |
| CA | CB | HB2 | 109.4° | 109.4° |
| CA | CB | HB3 | 109.5° | 109.5° |
| B | CA | HA | 104.1° | 109.5° |
| CA | B | O1 | 121.0° | 120.0° |
| CA | B | O2 | 116.1° | 120.0° |
| HB1 | CB | HB2 | 109.4° | 109.5° |
| HB1 | CB | HB3 | 109.4° | 109.5° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| O1 | B | O2 | 115.2° | 120.0° |
| B | O1 | HO1 | 109.5° | 114.0° |
| B | O2 | HO2 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | B | 128.7° | 120.0° |
| N | CA | CB | HA | 116.7° | 120.0° |
| N | CA | B | HA | 116.2° | 120.0° |
| N | CA | CB | HB1 | 180.0° | 60.0° |
| N | CA | CB | HB2 | 60.0° | 180.0° |
| N | CA | CB | HB3 | 60.0° | 60.0° |
| N | CA | B | O1 | 168.0° | 150.0° |
| N | CA | B | O2 | 44.2° | 30.0° |
| H | N | CA | CB | 180.0° | 60.0° |
| H | N | CA | B | 51.6° | 60.0° |
| H | N | CA | HA | 62.8° | 180.0° |
| H2 | N | CA | CB | 60.0° | 64.0° |
| H2 | N | CA | B | 68.4° | 176.0° |
| H2 | N | CA | HA | 177.2° | 56.0° |
| CB | CA | B | HA | 116.8° | 120.0° |
| CA | CB | HB1 | HB2 | 120.0° | 120.0° |
| CA | CB | HB1 | HB3 | 120.0° | 120.0° |
| CA | CB | HB2 | HB3 | 120.0° | 120.0° |
| CB | CA | B | O1 | 40.9° | 90.0° |
| CB | CA | B | O2 | 171.2° | 90.0° |
| B | CA | CB | HB1 | 51.3° | 60.0° |
| B | CA | CB | HB2 | 171.3° | 60.0° |
| B | CA | CB | HB3 | 68.7° | 180.0° |
| CA | B | O1 | O2 | 148.2° | 180.0° |
| CA | B | O1 | HO1 | 180.0° | 180.0° |
| CA | B | O2 | HO2 | 180.0° | 180.0° |
| HA | CA | CB | HB1 | 63.3° | 180.0° |
| HA | CA | CB | HB2 | 56.7° | 60.0° |
| HA | CA | CB | HB3 | 176.7° | 60.0° |
| HA | CA | B | O1 | 75.9° | 30.0° |
| HA | CA | B | O2 | 72.0° | 150.0° |
| HB1 | CB | HB2 | HB3 | 120.0° | 120.0° |
| O1 | B | O2 | HO2 | 30.2° | 0.0° |
| O2 | B | O1 | HO1 | 31.8° | 0.0° |
