ESD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CD | sing | 1.44Å | 1.49Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CG | SB | sing | 1.82Å | 1.81Å | |
| CG | CD | sing | 1.52Å | 1.53Å | |
| CG | HG1 | sing | 1.10Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| SB | C1 | sing | 1.81Å | 1.84Å | |
| CD | HD2 | sing | 1.10Å | 1.10Å | |
| CD | HD1 | sing | 1.10Å | 1.10Å | |
| C1 | C | sing | 1.50Å | 1.49Å | |
| C1 | HA2 | sing | 1.09Å | 1.10Å | |
| C1 | HA1 | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.22Å | 1.22Å | |
| C | OXT | sing | 1.36Å | 13.35Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD | N | H | 109.4° | 119.2° |
| CD | N | H2 | 109.5° | 119.2° |
| N | CD | CG | 104.9° | 113.0° |
| N | CD | HD2 | 111.0° | 106.5° |
| N | CD | HD1 | 112.0° | 107.9° |
| H | N | H2 | 109.5° | 120.3° |
| SB | CG | CD | 109.4° | 112.2° |
| SB | CG | HG1 | 109.5° | 108.4° |
| SB | CG | HG2 | 109.5° | 107.6° |
| CG | SB | C1 | 97.2° | 98.3° |
| CD | CG | HG1 | 109.5° | 110.9° |
| CD | CG | HG2 | 109.5° | 109.6° |
| CG | CD | HD2 | 111.0° | 109.4° |
| CG | CD | HD1 | 112.0° | 112.0° |
| HG1 | CG | HG2 | 109.5° | 108.0° |
| SB | C1 | C | 118.9° | 109.4° |
| SB | C1 | HA2 | 106.4° | 109.9° |
| SB | C1 | HA1 | 104.2° | 111.0° |
| HD2 | CD | HD1 | 106.0° | 107.7° |
| C | C1 | HA2 | 106.4° | 109.0° |
| C | C1 | HA1 | 104.3° | 110.2° |
| C1 | C | O | 121.3° | 124.0° |
| C1 | C | OXT | 117.7° | 112.7° |
| HA2 | C1 | HA1 | 117.2° | 107.4° |
| O | C | OXT | 100.4° | 123.3° |
| C | OXT | HXT | 117.7° | 114.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD | N | H | H2 | 120.0° | 166.4° |
| N | CD | CG | SB | 158.2° | 178.5° |
| N | CD | CG | HD2 | 120.0° | 118.5° |
| N | CD | CG | HD1 | 121.7° | 122.2° |
| N | CD | CG | HG1 | 38.2° | 60.0° |
| N | CD | CG | HG2 | 81.8° | 59.1° |
| N | CD | HD2 | HD1 | 121.8° | 115.6° |
| H | N | CD | CG | 135.8° | 13.0° |
| H | N | CD | HD2 | 15.7° | 133.2° |
| H | N | CD | HD1 | 102.5° | 111.4° |
| H2 | N | CD | CG | 104.2° | 153.6° |
| H2 | N | CD | HD2 | 135.7° | 33.4° |
| H2 | N | CD | HD1 | 17.5° | 82.0° |
| SB | CG | CD | HG1 | 120.0° | 121.4° |
| SB | CG | CD | HG2 | 120.0° | 119.4° |
| SB | CG | HG1 | HG2 | 120.0° | 116.3° |
| SB | CG | CD | HD2 | 81.8° | 60.1° |
| SB | CG | CD | HD1 | 36.5° | 59.3° |
| CG | SB | C1 | C | 128.4° | 180.0° |
| CG | SB | C1 | HA2 | 8.4° | 60.4° |
| CG | SB | C1 | HA1 | 116.2° | 58.2° |
| CD | CG | HG1 | HG2 | 120.0° | 120.1° |
| CD | CG | SB | C1 | 162.9° | 177.2° |
| CG | CD | HD2 | HD1 | 121.9° | 122.0° |
| HG1 | CG | SB | C1 | 77.1° | 60.0° |
| HG1 | CG | CD | HD2 | 158.2° | 178.5° |
| HG1 | CG | CD | HD1 | 83.5° | 62.1° |
| HG2 | CG | SB | C1 | 42.9° | 56.6° |
| HG2 | CG | CD | HD2 | 38.2° | 59.4° |
| HG2 | CG | CD | HD1 | 156.5° | 178.7° |
| SB | C1 | C | HA2 | 120.0° | 120.2° |
| SB | C1 | C | HA1 | 115.5° | 122.2° |
| SB | C1 | HA2 | HA1 | 116.1° | 120.8° |
| SB | C1 | C | O | 153.6° | 29.9° |
| SB | C1 | C | OXT | 82.5° | 150.9° |
| C | C1 | HA2 | HA1 | 116.1° | 119.3° |
| C1 | C | O | OXT | 131.6° | 179.2° |
| C1 | C | OXT | HXT | 180.0° | 179.3° |
| HA2 | C1 | C | O | 86.4° | 150.1° |
| HA2 | C1 | C | OXT | 37.5° | 30.7° |
| HA1 | C1 | C | O | 38.2° | 92.4° |
| HA1 | C1 | C | OXT | 162.0° | 86.9° |
| O | C | OXT | HXT | 46.3° | 0.0° |
