B3M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | C | sing | 1.51Å | 1.52Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| O | C | doub | 1.21Å | 1.20Å | |
| CA | N | sing | 1.47Å | 1.43Å | |
| CA | CB | sing | 1.53Å | 1.49Å | |
| CG | CA | sing | 1.53Å | 1.53Å | |
| CG | HGA | sing | 1.09Å | 1.10Å | |
| CD | CG | sing | 1.53Å | 1.52Å | |
| CD | HDA | sing | 1.09Å | 1.10Å | |
| SE | CD | sing | 1.81Å | 1.81Å | |
| SE | CF | sing | 1.81Å | 1.80Å | |
| CF | HF | sing | 1.09Å | 1.10Å | |
| CF | HFA | sing | 1.09Å | 1.10Å | |
| HB2 | CB | sing | 1.09Å | 1.10Å | |
| HA | CA | sing | 1.09Å | 1.10Å | |
| HG | CG | sing | 1.09Å | 1.10Å | |
| HD | CD | sing | 1.09Å | 1.10Å | |
| HFB | CF | 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) |
| H | N | H2 | 109.5° | 111.0° |
| H | N | CA | 109.5° | 111.0° |
| H2 | N | CA | 109.4° | 110.9° |
| HB1 | CB | C | 106.3° | 109.5° |
| HB1 | CB | CA | 106.2° | 109.5° |
| HB1 | CB | HB2 | 117.8° | 109.5° |
| CB | C | OXT | 119.6° | 120.0° |
| CB | C | O | 120.8° | 120.0° |
| C | CB | CA | 119.6° | 109.5° |
| C | CB | HB2 | 103.9° | 109.5° |
| OXT | C | O | 119.6° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| N | CA | CB | 104.0° | 109.5° |
| N | CA | CG | 109.8° | 109.5° |
| N | CA | HA | 113.3° | 109.5° |
| CB | CA | CG | 111.0° | 109.5° |
| CA | CB | HB2 | 103.9° | 109.4° |
| CB | CA | HA | 112.1° | 109.5° |
| CA | CG | HGA | 109.0° | 109.5° |
| CA | CG | CD | 111.1° | 109.5° |
| CG | CA | HA | 106.6° | 109.4° |
| CA | CG | HG | 108.5° | 109.5° |
| HGA | CG | CD | 108.9° | 109.5° |
| HGA | CG | HG | 110.7° | 109.4° |
| CG | CD | HDA | 109.0° | 109.5° |
| CG | CD | SE | 110.8° | 109.5° |
| CD | CG | HG | 108.6° | 109.5° |
| CG | CD | HD | 108.7° | 109.5° |
| HDA | CD | SE | 109.0° | 109.5° |
| HDA | CD | HD | 110.6° | 109.5° |
| CD | SE | CF | 103.2° | 103.0° |
| SE | CD | HD | 108.7° | 109.4° |
| SE | CF | HF | 109.5° | 109.5° |
| SE | CF | HFA | 109.5° | 109.4° |
| SE | CF | HFB | 109.5° | 109.4° |
| HF | CF | HFA | 109.4° | 109.5° |
| HF | CF | HFB | 109.5° | 109.5° |
| HFA | CF | HFB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| H | N | H2 | CA | 120.0° | 123.9° |
| H | N | CA | CB | 137.6° | 63.9° |
| H | N | CA | CG | 18.8° | 176.0° |
| H | N | CA | HA | 100.3° | 56.1° |
| H2 | N | CA | CB | 102.4° | 60.0° |
| H2 | N | CA | CG | 138.7° | 60.1° |
| H2 | N | CA | HA | 19.7° | 180.0° |
| HB1 | CB | C | CA | 120.0° | 120.0° |
| HB1 | CB | C | HB2 | 124.9° | 120.0° |
| HB1 | CB | C | OXT | 10.8° | 60.0° |
| HB1 | CB | C | O | 169.2° | 120.0° |
| HB1 | CB | CA | N | 32.4° | 55.0° |
| HB1 | CB | CA | HB2 | 124.9° | 120.0° |
| HB1 | CB | CA | CG | 85.7° | 65.0° |
| HB1 | CB | CA | HA | 155.2° | 175.0° |
| CB | C | OXT | O | 180.0° | 179.9° |
| C | CB | CA | N | 87.7° | 65.0° |
| C | CB | CA | HB2 | 115.1° | 119.9° |
| C | CB | CA | CG | 154.3° | 175.0° |
| C | CB | CA | HA | 35.2° | 55.0° |
| CB | C | OXT | HXT | 180.0° | 180.0° |
| OXT | C | CB | CA | 109.2° | 180.0° |
| OXT | C | CB | HB2 | 135.7° | 60.1° |
| O | C | CB | CA | 70.8° | 0.1° |
| O | C | CB | HB2 | 44.3° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| N | CA | CB | CG | 118.1° | 120.0° |
| N | CA | CB | HA | 122.8° | 120.0° |
| N | CA | CG | HA | 123.1° | 120.0° |
| N | CA | CG | HGA | 57.3° | 175.0° |
| N | CA | CG | CD | 62.7° | 64.9° |
| N | CA | CB | HB2 | 157.2° | 175.0° |
| N | CA | CG | HG | 177.9° | 55.1° |
| CB | CA | CG | HA | 122.4° | 120.0° |
| CB | CA | CG | HGA | 57.3° | 55.0° |
| CB | CA | CG | CD | 177.2° | 175.0° |
| CB | CA | CG | HG | 63.4° | 65.0° |
| CA | CG | HGA | CD | 121.3° | 120.1° |
| CA | CG | HGA | HG | 119.3° | 120.0° |
| CA | CG | CD | HG | 119.3° | 120.0° |
| CA | CG | CD | HDA | 57.8° | 60.0° |
| CA | CG | CD | SE | 62.2° | 180.0° |
| CG | CA | CB | HB2 | 39.2° | 55.0° |
| CA | CG | CD | HD | 178.4° | 60.1° |
| HGA | CG | CD | HG | 120.7° | 119.9° |
| HGA | CG | CD | HDA | 62.2° | 180.0° |
| HGA | CG | CD | SE | 177.8° | 60.0° |
| HGA | CG | CA | HA | 179.6° | 65.0° |
| HGA | CG | CD | HD | 58.4° | 60.0° |
| CG | CD | HDA | SE | 121.1° | 120.0° |
| CG | CD | HDA | HD | 119.4° | 120.0° |
| CG | CD | SE | HD | 119.4° | 120.0° |
| CG | CD | SE | CF | 132.7° | 180.0° |
| CD | CG | CA | HA | 60.4° | 55.0° |
| HDA | CD | SE | HD | 120.6° | 120.0° |
| HDA | CD | SE | CF | 12.7° | 60.0° |
| HDA | CD | CG | HG | 177.1° | 60.0° |
| CD | SE | CF | HF | 44.9° | 60.0° |
| CD | SE | CF | HFA | 75.1° | 60.0° |
| SE | CD | CG | HG | 57.1° | 60.0° |
| CD | SE | CF | HFB | 164.9° | 180.0° |
| SE | CF | HF | HFA | 120.0° | 120.0° |
| SE | CF | HF | HFB | 120.0° | 120.0° |
| SE | CF | HFA | HFB | 120.0° | 119.9° |
| CF | SE | CD | HD | 107.9° | 60.0° |
| HF | CF | HFA | HFB | 120.0° | 120.1° |
| HB2 | CB | CA | HA | 79.9° | 64.9° |
| HA | CA | CG | HG | 58.9° | 175.0° |
| HG | CG | CD | HD | 62.3° | 179.9° |
