FME
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CN | sing | 1.35Å | 1.31Å | |
| N | CA | sing | 1.46Å | 1.43Å | |
| N | H | sing | 0.97Å | 1.02Å | |
| CN | O1 | doub | 1.21Å | 1.23Å | |
| CN | HCN | sing | 1.08Å | 1.10Å | |
| CA | CB | sing | 1.53Å | 1.47Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| CB | CG | sing | 1.53Å | 1.59Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CB | HB3 | sing | 1.09Å | 1.12Å | |
| CG | SD | sing | 1.81Å | 1.80Å | |
| CG | HG2 | sing | 1.09Å | 1.11Å | |
| CG | HG3 | sing | 1.09Å | 1.11Å | |
| SD | CE | sing | 1.81Å | 1.79Å | |
| CE | HE1 | sing | 1.09Å | 1.12Å | |
| CE | HE2 | sing | 1.09Å | 1.11Å | |
| CE | HE3 | sing | 1.09Å | 1.11Å | |
| C | O | doub | 1.21Å | 1.21Å | |
| C | OXT | sing | 1.34Å | 1.30Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CN | N | CA | 127.3° | 120.0° |
| CN | N | H | 111.5° | 120.0° |
| N | CN | O1 | 120.4° | 120.0° |
| N | CN | HCN | 122.9° | 120.0° |
| CA | N | H | 121.2° | 120.0° |
| N | CA | CB | 114.6° | 109.5° |
| N | CA | C | 110.4° | 109.4° |
| N | CA | HA | 105.9° | 109.5° |
| O1 | CN | HCN | 116.6° | 120.0° |
| CB | CA | C | 111.4° | 109.4° |
| CB | CA | HA | 104.8° | 109.5° |
| CA | CB | CG | 110.1° | 109.5° |
| CA | CB | HB2 | 111.9° | 109.5° |
| CA | CB | HB3 | 112.0° | 109.5° |
| C | CA | HA | 109.4° | 109.4° |
| CA | C | O | 120.7° | 119.9° |
| CA | C | OXT | 116.9° | 120.0° |
| CG | CB | HB2 | 112.0° | 109.4° |
| CG | CB | HB3 | 112.0° | 109.5° |
| CB | CG | SD | 109.5° | 109.6° |
| CB | CG | HG2 | 112.1° | 109.5° |
| CB | CG | HG3 | 112.1° | 109.5° |
| HB2 | CB | HB3 | 98.4° | 109.4° |
| SD | CG | HG2 | 112.2° | 109.5° |
| SD | CG | HG3 | 112.2° | 109.4° |
| CG | SD | CE | 100.9° | 100.0° |
| HG2 | CG | HG3 | 98.3° | 109.4° |
| SD | CE | HE1 | 100.9° | 109.5° |
| SD | CE | HE2 | 115.5° | 109.4° |
| SD | CE | HE3 | 115.5° | 109.5° |
| HE1 | CE | HE2 | 115.5° | 109.4° |
| HE1 | CE | HE3 | 115.5° | 109.5° |
| HE2 | CE | HE3 | 95.0° | 109.4° |
| O | C | OXT | 121.8° | 120.1° |
| C | OXT | HXT | 116.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CN | N | CA | H | 180.0° | 180.0° |
| N | CN | O1 | HCN | 180.0° | 179.9° |
| CN | N | CA | CB | 140.7° | 150.1° |
| CN | N | CA | C | 92.5° | 90.0° |
| CN | N | CA | HA | 25.8° | 30.0° |
| CA | N | CN | O1 | 24.0° | 0.0° |
| CA | N | CN | HCN | 155.9° | 180.0° |
| N | CA | CB | C | 126.3° | 120.0° |
| N | CA | CB | HA | 115.6° | 120.1° |
| N | CA | C | HA | 116.1° | 120.0° |
| N | CA | CB | CG | 54.4° | 60.0° |
| N | CA | CB | HB2 | 70.9° | 180.0° |
| N | CA | CB | HB3 | 179.7° | 60.0° |
| N | CA | C | O | 30.7° | 150.0° |
| N | CA | C | OXT | 140.9° | 30.0° |
| H | N | CN | O1 | 155.9° | 180.0° |
| H | N | CN | HCN | 24.1° | 0.0° |
| H | N | CA | CB | 39.3° | 30.0° |
| H | N | CA | C | 87.5° | 90.0° |
| H | N | CA | HA | 154.2° | 150.0° |
| CB | CA | C | HA | 115.4° | 120.0° |
| CA | CB | CG | HB2 | 125.3° | 120.0° |
| CA | CB | CG | HB3 | 125.3° | 120.1° |
| CA | CB | HB2 | HB3 | 117.8° | 120.1° |
| CA | CB | CG | SD | 81.5° | 179.9° |
| CA | CB | CG | HG2 | 43.7° | 60.0° |
| CA | CB | CG | HG3 | 153.2° | 60.0° |
| CB | CA | C | O | 97.8° | 90.0° |
| CB | CA | C | OXT | 90.6° | 90.0° |
| C | CA | CB | CG | 179.4° | 180.0° |
| C | CA | CB | HB2 | 55.3° | 60.1° |
| C | CA | CB | HB3 | 54.1° | 59.9° |
| CA | C | O | OXT | 171.2° | 180.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| HA | CA | CB | CG | 61.2° | 60.0° |
| HA | CA | CB | HB2 | 173.5° | 59.9° |
| HA | CA | CB | HB3 | 64.1° | 179.9° |
| HA | CA | C | O | 146.8° | 30.0° |
| HA | CA | C | OXT | 24.8° | 150.0° |
| CG | CB | HB2 | HB3 | 117.9° | 119.9° |
| CB | CG | SD | HG2 | 125.2° | 120.1° |
| CB | CG | SD | HG3 | 125.2° | 120.0° |
| CB | CG | HG2 | HG3 | 118.1° | 120.0° |
| CB | CG | SD | CE | 172.4° | 180.0° |
| HB2 | CB | CG | SD | 153.2° | 60.0° |
| HB2 | CB | CG | HG2 | 81.5° | 180.0° |
| HB2 | CB | CG | HG3 | 28.0° | 60.0° |
| HB3 | CB | CG | SD | 43.7° | 60.0° |
| HB3 | CB | CG | HG2 | 169.0° | 60.1° |
| HB3 | CB | CG | HG3 | 81.5° | 179.9° |
| SD | CG | HG2 | HG3 | 118.1° | 119.9° |
| CG | SD | CE | HE1 | 180.0° | 179.9° |
| CG | SD | CE | HE2 | 54.8° | 60.1° |
| CG | SD | CE | HE3 | 54.8° | 59.9° |
| HG2 | CG | SD | CE | 47.1° | 59.9° |
| HG3 | CG | SD | CE | 62.4° | 60.0° |
| SD | CE | HE1 | HE2 | 125.2° | 119.9° |
| SD | CE | HE1 | HE3 | 125.2° | 120.1° |
| SD | CE | HE2 | HE3 | 121.3° | 120.0° |
| HE1 | CE | HE2 | HE3 | 121.4° | 120.0° |
| O | C | OXT | HXT | 8.5° | 0.0° |
