CSA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.44Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| CB | SG | sing | 1.81Å | 1.82Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CB | HB3 | sing | 1.09Å | 1.12Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.35Å | |
| SG | C3 | sing | 1.81Å | 1.78Å | |
| C3 | C2 | sing | 1.51Å | 1.49Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C2 | O4 | doub | 1.21Å | 1.26Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C1 | H13 | sing | 1.09Å | 1.11Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 112.3° | 106.6° |
| CA | N | H2 | 111.2° | 106.7° |
| N | CA | CB | 112.3° | 109.5° |
| N | CA | C | 112.1° | 109.5° |
| N | CA | HA | 104.6° | 109.5° |
| H | N | H2 | 111.2° | 106.7° |
| CB | CA | C | 106.2° | 109.5° |
| CB | CA | HA | 110.8° | 109.4° |
| CA | CB | SG | 113.1° | 109.5° |
| CA | CB | HB2 | 110.8° | 109.5° |
| CA | CB | HB3 | 110.9° | 109.5° |
| C | CA | HA | 110.9° | 109.4° |
| CA | C | O | 115.6° | 120.0° |
| CA | C | OXT | 124.6° | 120.1° |
| SG | CB | HB2 | 110.9° | 109.4° |
| SG | CB | HB3 | 110.9° | 109.5° |
| CB | SG | C3 | 101.4° | 100.1° |
| HB2 | CB | HB3 | 99.4° | 109.4° |
| O | C | OXT | 119.8° | 120.0° |
| C | OXT | HXT | 124.6° | 120.1° |
| SG | C3 | C2 | 105.7° | 109.5° |
| SG | C3 | H31 | 113.6° | 109.5° |
| SG | C3 | H32 | 113.6° | 109.4° |
| C2 | C3 | H31 | 113.7° | 109.5° |
| C2 | C3 | H32 | 113.7° | 109.4° |
| C3 | C2 | O4 | 118.3° | 120.0° |
| C3 | C2 | C1 | 120.2° | 120.0° |
| H31 | C3 | H32 | 96.8° | 109.4° |
| O4 | C2 | C1 | 121.5° | 120.0° |
| C2 | C1 | H11 | 120.2° | 109.5° |
| C2 | C1 | H12 | 108.3° | 109.5° |
| C2 | C1 | H13 | 108.3° | 109.5° |
| H11 | C1 | H12 | 108.4° | 109.4° |
| H11 | C1 | H13 | 108.4° | 109.5° |
| H12 | C1 | H13 | 101.6° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.3° | 113.8° |
| N | CA | CB | C | 122.9° | 120.1° |
| N | CA | CB | HA | 116.6° | 120.0° |
| N | CA | C | HA | 116.6° | 120.0° |
| N | CA | CB | SG | 43.7° | 59.9° |
| N | CA | CB | HB2 | 81.6° | 180.0° |
| N | CA | CB | HB3 | 169.0° | 60.1° |
| N | CA | C | O | 172.0° | 30.1° |
| N | CA | C | OXT | 5.9° | 150.0° |
| H | N | CA | CB | 180.0° | 60.0° |
| H | N | CA | C | 60.5° | 60.1° |
| H | N | CA | HA | 59.8° | 180.0° |
| H2 | N | CA | CB | 54.7° | 53.7° |
| H2 | N | CA | C | 174.2° | 173.9° |
| H2 | N | CA | HA | 65.5° | 66.2° |
| CB | CA | C | HA | 120.4° | 120.0° |
| CA | CB | SG | HB2 | 125.3° | 120.1° |
| CA | CB | SG | HB3 | 125.3° | 120.0° |
| CA | CB | HB2 | HB3 | 116.7° | 120.0° |
| CB | CA | C | O | 65.0° | 90.0° |
| CB | CA | C | OXT | 117.1° | 89.9° |
| CA | CB | SG | C3 | 48.3° | 180.0° |
| C | CA | CB | SG | 166.6° | 180.0° |
| C | CA | CB | HB2 | 41.3° | 59.9° |
| C | CA | CB | HB3 | 68.1° | 60.0° |
| CA | C | O | OXT | 178.0° | 179.9° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| HA | CA | CB | SG | 72.9° | 60.0° |
| HA | CA | CB | HB2 | 161.8° | 60.0° |
| HA | CA | CB | HB3 | 52.4° | 180.0° |
| HA | CA | C | O | 55.4° | 150.0° |
| HA | CA | C | OXT | 122.5° | 30.0° |
| SG | CB | HB2 | HB3 | 116.8° | 119.9° |
| CB | SG | C3 | C2 | 166.6° | 180.0° |
| CB | SG | C3 | H31 | 41.3° | 59.9° |
| CB | SG | C3 | H32 | 68.1° | 60.0° |
| HB2 | CB | SG | C3 | 173.6° | 59.9° |
| HB3 | CB | SG | C3 | 77.0° | 60.0° |
| O | C | OXT | HXT | 2.3° | 0.0° |
| SG | C3 | C2 | H31 | 125.2° | 120.1° |
| SG | C3 | C2 | H32 | 125.3° | 120.0° |
| SG | C3 | H31 | H32 | 119.5° | 119.9° |
| SG | C3 | C2 | O4 | 34.6° | 0.0° |
| SG | C3 | C2 | C1 | 144.9° | 180.0° |
| C2 | C3 | H31 | H32 | 119.6° | 120.0° |
| C3 | C2 | O4 | C1 | 179.6° | 180.0° |
| C3 | C2 | C1 | H11 | 180.0° | 180.0° |
| C3 | C2 | C1 | H12 | 54.7° | 60.1° |
| C3 | C2 | C1 | H13 | 54.7° | 59.9° |
| H31 | C3 | C2 | O4 | 159.9° | 120.1° |
| H31 | C3 | C2 | C1 | 19.7° | 59.9° |
| H32 | C3 | C2 | O4 | 90.6° | 120.0° |
| H32 | C3 | C2 | C1 | 89.8° | 60.0° |
| O4 | C2 | C1 | H11 | 0.4° | 0.0° |
| O4 | C2 | C1 | H12 | 124.8° | 120.0° |
| O4 | C2 | C1 | H13 | 125.7° | 120.0° |
| C2 | C1 | H11 | H12 | 125.2° | 120.0° |
| C2 | C1 | H11 | H13 | 125.3° | 120.1° |
| C2 | C1 | H12 | H13 | 114.0° | 120.0° |
| H11 | C1 | H12 | H13 | 114.1° | 120.0° |
