PCA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | CD | sing | 1.35Å | 1.35Å | |
| N | H | sing | 0.97Å | 1.02Å | |
| CA | CB | sing | 1.54Å | 1.52Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| CB | CG | sing | 1.55Å | 1.51Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CB | HB3 | sing | 1.09Å | 1.12Å | |
| CG | CD | sing | 1.51Å | 1.53Å | |
| CG | HG2 | sing | 1.09Å | 1.11Å | |
| CG | HG3 | sing | 1.09Å | 1.12Å | |
| CD | OE | doub | 1.21Å | 1.25Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | CD | 108.2° | 111.2° |
| CA | N | H | 129.1° | 124.4° |
| N | CA | CB | 107.2° | 105.6° |
| N | CA | C | 111.7° | 110.3° |
| N | CA | HA | 109.2° | 110.2° |
| CD | N | H | 122.6° | 124.3° |
| N | CD | CG | 110.6° | 110.1° |
| N | CD | OE | 124.4° | 124.9° |
| CB | CA | C | 108.7° | 110.3° |
| CB | CA | HA | 112.3° | 110.2° |
| CA | CB | CG | 101.1° | 101.7° |
| CA | CB | HB2 | 115.4° | 111.0° |
| CA | CB | HB3 | 115.4° | 111.1° |
| C | CA | HA | 107.8° | 110.2° |
| CA | C | O | 120.7° | 120.0° |
| CA | C | OXT | 116.4° | 120.1° |
| CG | CB | HB2 | 115.5° | 110.9° |
| CG | CB | HB3 | 115.4° | 111.0° |
| CB | CG | CD | 102.9° | 104.2° |
| CB | CG | HG2 | 114.7° | 110.5° |
| CB | CG | HG3 | 114.7° | 110.5° |
| HB2 | CB | HB3 | 95.0° | 110.8° |
| CD | CG | HG2 | 114.7° | 110.4° |
| CD | CG | HG3 | 114.7° | 110.5° |
| CG | CD | OE | 125.0° | 125.0° |
| HG2 | CG | HG3 | 95.8° | 110.5° |
| O | C | OXT | 122.9° | 119.9° |
| C | OXT | HXT | 116.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | CD | H | 180.0° | 179.8° |
| N | CA | CB | C | 120.9° | 119.1° |
| N | CA | CB | HA | 120.0° | 119.0° |
| N | CA | C | HA | 120.0° | 121.9° |
| N | CA | CB | CG | 30.0° | 25.3° |
| N | CA | CB | HB2 | 155.3° | 92.7° |
| N | CA | CB | HB3 | 95.2° | 143.5° |
| CA | N | CD | CG | 2.0° | 0.2° |
| CA | N | CD | OE | 178.7° | 179.5° |
| N | CA | C | O | 27.3° | 27.4° |
| N | CA | C | OXT | 152.0° | 152.6° |
| CD | N | CA | CB | 18.1° | 16.8° |
| CD | N | CA | C | 100.8° | 135.9° |
| CD | N | CA | HA | 140.0° | 102.2° |
| N | CD | CG | CB | 21.1° | 16.4° |
| N | CD | CG | OE | 176.7° | 179.8° |
| N | CD | CG | HG2 | 104.2° | 135.0° |
| N | CD | CG | HG3 | 146.3° | 102.3° |
| H | N | CA | CB | 161.9° | 163.0° |
| H | N | CA | C | 79.2° | 43.9° |
| H | N | CA | HA | 40.0° | 78.0° |
| H | N | CD | CG | 178.0° | 179.6° |
| H | N | CD | OE | 1.3° | 0.7° |
| CB | CA | C | HA | 121.9° | 121.9° |
| CA | CB | CG | HB2 | 125.3° | 118.1° |
| CA | CB | CG | HB3 | 125.2° | 118.2° |
| CA | CB | HB2 | HB3 | 121.2° | 123.9° |
| CA | CB | CG | CD | 29.5° | 24.8° |
| CA | CB | CG | HG2 | 95.7° | 143.4° |
| CA | CB | CG | HG3 | 154.8° | 93.9° |
| CB | CA | C | O | 90.7° | 88.8° |
| CB | CA | C | OXT | 89.9° | 91.2° |
| C | CA | CB | CG | 90.8° | 144.4° |
| C | CA | CB | HB2 | 34.5° | 26.4° |
| C | CA | CB | HB3 | 143.9° | 97.4° |
| CA | C | O | OXT | 179.3° | 179.9° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| HA | CA | CB | CG | 150.0° | 93.7° |
| HA | CA | CB | HB2 | 84.7° | 148.2° |
| HA | CA | CB | HB3 | 24.7° | 24.5° |
| HA | CA | C | O | 147.3° | 149.3° |
| HA | CA | C | OXT | 32.0° | 30.7° |
| CG | CB | HB2 | HB3 | 121.3° | 123.8° |
| CB | CG | CD | HG2 | 125.3° | 118.7° |
| CB | CG | CD | HG3 | 125.2° | 118.7° |
| CB | CG | HG2 | HG3 | 120.6° | 122.6° |
| CB | CG | CD | OE | 162.2° | 163.9° |
| HB2 | CB | CG | CD | 154.8° | 93.3° |
| HB2 | CB | CG | HG2 | 29.5° | 25.3° |
| HB2 | CB | CG | HG3 | 79.9° | 148.0° |
| HB3 | CB | CG | CD | 95.7° | 143.0° |
| HB3 | CB | CG | HG2 | 139.0° | 98.3° |
| HB3 | CB | CG | HG3 | 29.6° | 24.3° |
| CD | CG | HG2 | HG3 | 120.6° | 122.6° |
| HG2 | CG | CD | OE | 72.5° | 45.2° |
| HG3 | CG | CD | OE | 37.0° | 77.4° |
| O | C | OXT | HXT | 0.7° | 0.0° |
