QCI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OE1 | CD | doub | 1.21Å | 1.19Å | |
| CD | NE2 | sing | 1.34Å | 1.36Å | |
| CD | CG | sing | 1.51Å | 1.48Å | |
| O | C | doub | 1.21Å | 1.21Å | |
| CG | CB | sing | 1.53Å | 1.49Å | |
| C | CA | sing | 1.51Å | 1.50Å | |
| CA | CB | sing | 1.53Å | 1.44Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| NE2 | HE21 | sing | 0.97Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C | NE2 | sing | 1.34Å | 1.37Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OE1 | CD | NE2 | 120.9° | 119.3° |
| OE1 | CD | CG | 121.2° | 119.4° |
| NE2 | CD | CG | 117.8° | 121.2° |
| CD | NE2 | HE21 | 117.5° | 118.7° |
| CD | NE2 | C | 125.0° | 122.6° |
| CD | CG | CB | 113.6° | 109.1° |
| CD | CG | HG3 | 108.4° | 109.7° |
| CD | CG | HG2 | 108.5° | 109.4° |
| O | C | CA | 120.4° | 119.4° |
| O | C | NE2 | 122.3° | 119.4° |
| CG | CB | CA | 110.7° | 108.6° |
| CG | CB | HB3 | 109.2° | 109.6° |
| CG | CB | HB2 | 109.2° | 109.7° |
| CB | CG | HG3 | 108.4° | 109.5° |
| CB | CG | HG2 | 108.4° | 109.5° |
| C | CA | CB | 113.4° | 109.2° |
| C | CA | N | 106.7° | 109.5° |
| C | CA | HA | 108.8° | 109.5° |
| CA | C | NE2 | 116.8° | 121.3° |
| CB | CA | N | 108.9° | 109.5° |
| CB | CA | HA | 109.6° | 109.5° |
| CA | CB | HB3 | 109.2° | 109.7° |
| CA | CB | HB2 | 109.2° | 109.6° |
| N | CA | HA | 109.3° | 109.6° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| HE21 | NE2 | C | 117.6° | 118.7° |
| HB3 | CB | HB2 | 109.5° | 109.6° |
| HG3 | CG | HG2 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OE1 | CD | NE2 | CG | 176.5° | 179.8° |
| OE1 | CD | CG | CB | 159.1° | 150.7° |
| OE1 | CD | NE2 | HE21 | 3.2° | 0.6° |
| OE1 | CD | CG | HG3 | 38.5° | 89.3° |
| OE1 | CD | CG | HG2 | 80.3° | 30.8° |
| OE1 | CD | NE2 | C | 176.8° | 179.2° |
| CD | NE2 | C | O | 174.5° | 179.2° |
| NE2 | CD | CG | CB | 24.4° | 29.5° |
| CD | NE2 | C | CA | 2.5° | 0.8° |
| CD | NE2 | HE21 | C | 180.0° | 179.8° |
| NE2 | CD | CG | HG3 | 145.0° | 90.5° |
| NE2 | CD | CG | HG2 | 96.2° | 149.3° |
| CD | CG | CB | HG3 | 120.6° | 120.1° |
| CD | CG | CB | HG2 | 120.6° | 119.8° |
| CD | CG | CB | CA | 50.3° | 55.8° |
| CG | CD | NE2 | HE21 | 179.7° | 179.2° |
| CD | CG | CB | HB3 | 69.9° | 175.5° |
| CD | CG | CB | HB2 | 170.5° | 64.0° |
| CD | CG | HG3 | HG2 | 118.2° | 120.1° |
| CG | CD | NE2 | C | 0.3° | 1.0° |
| O | C | CA | NE2 | 172.1° | 180.0° |
| O | C | CA | CB | 158.2° | 150.9° |
| O | C | CA | N | 38.3° | 31.0° |
| O | C | NE2 | HE21 | 5.5° | 0.6° |
| O | C | CA | HA | 79.6° | 89.2° |
| CG | CB | CA | C | 52.6° | 55.6° |
| CG | CB | CA | HB3 | 120.2° | 119.8° |
| CG | CB | CA | HB2 | 120.2° | 119.9° |
| CG | CB | CA | N | 171.3° | 175.5° |
| CG | CB | CA | HA | 69.2° | 64.3° |
| CG | CB | HB3 | HB2 | 119.5° | 120.5° |
| CB | CG | HG3 | HG2 | 118.1° | 120.1° |
| C | CA | CB | N | 118.7° | 119.9° |
| C | CA | CB | HA | 121.8° | 119.9° |
| C | CA | N | HA | 117.5° | 120.2° |
| CA | C | NE2 | HE21 | 177.5° | 179.4° |
| C | CA | CB | HB3 | 67.6° | 175.3° |
| C | CA | CB | HB2 | 172.8° | 64.3° |
| C | CA | N | H | 180.0° | 60.1° |
| C | CA | N | H2 | 60.0° | 64.0° |
| CB | CA | N | HA | 119.7° | 120.1° |
| CA | CB | HB3 | HB2 | 119.4° | 120.4° |
| CA | CB | CG | HG3 | 170.9° | 64.3° |
| CA | CB | CG | HG2 | 70.3° | 175.6° |
| CB | CA | N | H | 57.2° | 179.8° |
| CB | CA | N | H2 | 177.2° | 55.7° |
| CB | CA | C | NE2 | 29.7° | 29.1° |
| N | CA | CB | HB3 | 51.1° | 64.8° |
| N | CA | CB | HB2 | 68.5° | 55.6° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | C | NE2 | 149.6° | 149.0° |
| HA | CA | CB | HB3 | 170.6° | 55.4° |
| HA | CA | CB | HB2 | 51.0° | 175.8° |
| HA | CA | N | H | 62.5° | 60.1° |
| HA | CA | N | H2 | 57.5° | 175.8° |
| HA | CA | C | NE2 | 92.6° | 90.7° |
| HB3 | CB | CG | HG3 | 50.7° | 55.4° |
| HB3 | CB | CG | HG2 | 169.5° | 64.7° |
| HB2 | CB | CG | HG3 | 68.9° | 175.9° |
| HB2 | CB | CG | HG2 | 49.9° | 55.8° |
