CPC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CN | sing | 1.46Å | 1.51Å | |
| N | CA | sing | 1.46Å | 1.33Å | |
| N | H | sing | 1.02Å | 1.02Å | |
| CN | HCN1 | sing | 1.09Å | 1.08Å | |
| CN | HCN2 | sing | 1.09Å | 1.08Å | |
| CN | HCN3 | sing | 1.09Å | 1.08Å | |
| CA | CB | sing | 1.50Å | 1.54Å | |
| CA | CG1 | sing | 1.50Å | 1.55Å | |
| CA | C | sing | 1.47Å | 1.57Å | |
| CB | CG1 | sing | 1.50Å | 1.48Å | |
| CB | CG2 | sing | 1.48Å | 1.55Å | |
| CB | HB | sing | 1.08Å | 1.09Å | |
| CG1 | HG13 | sing | 1.08Å | 1.09Å | |
| CG1 | HG12 | sing | 1.08Å | 1.09Å | |
| CG2 | HG21 | sing | 1.09Å | 1.08Å | |
| CG2 | HG22 | sing | 1.09Å | 1.08Å | |
| CG2 | HG23 | sing | 1.09Å | 1.08Å | |
| C | O | doub | 1.22Å | 1.23Å | |
| C | OXT | sing | 1.36Å | 16.52Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CN | N | CA | 116.0° | 110.9° |
| CN | N | H | 109.8° | 109.2° |
| N | CN | HCN1 | 112.1° | 110.1° |
| N | CN | HCN2 | 109.2° | 110.3° |
| N | CN | HCN3 | 109.2° | 110.3° |
| CA | N | H | 109.9° | 109.2° |
| N | CA | CB | 110.1° | 120.0° |
| N | CA | CG1 | 121.6° | 120.0° |
| N | CA | C | 114.2° | 110.8° |
| HCN1 | CN | HCN2 | 108.9° | 108.8° |
| HCN1 | CN | HCN3 | 108.8° | 108.8° |
| HCN2 | CN | HCN3 | 108.6° | 108.7° |
| CB | CA | CG1 | 57.3° | 59.8° |
| CB | CA | C | 121.5° | 119.7° |
| CA | CB | CG1 | 61.4° | 60.1° |
| CA | CB | CG2 | 120.0° | 120.9° |
| CA | CB | HB | 117.1° | 118.7° |
| CG1 | CA | C | 119.8° | 118.3° |
| CA | CG1 | CB | 61.3° | 60.1° |
| CA | CG1 | HG13 | 118.4° | 118.7° |
| CA | CG1 | HG12 | 116.5° | 118.5° |
| CA | C | O | 122.1° | 125.1° |
| CA | C | OXT | 100.2° | 110.7° |
| CG1 | CB | CG2 | 108.3° | 119.0° |
| CG1 | CB | HB | 118.2° | 117.8° |
| CB | CG1 | HG13 | 115.0° | 118.3° |
| CB | CG1 | HG12 | 117.0° | 117.5° |
| CG2 | CB | HB | 118.2° | 111.6° |
| CB | CG2 | HG21 | 113.3° | 110.6° |
| CB | CG2 | HG22 | 109.6° | 110.6° |
| CB | CG2 | HG23 | 107.2° | 110.5° |
| HG13 | CG1 | HG12 | 116.9° | 113.7° |
| HG21 | CG2 | HG22 | 108.9° | 108.4° |
| HG21 | CG2 | HG23 | 108.5° | 108.3° |
| HG22 | CG2 | HG23 | 109.1° | 108.4° |
| O | C | OXT | 60.5° | 124.2° |
| C | OXT | HXT | 100.2° | 112.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CN | N | CA | H | 125.3° | 120.4° |
| N | CN | HCN1 | HCN2 | 120.9° | 120.9° |
| N | CN | HCN1 | HCN3 | 120.9° | 120.9° |
| N | CN | HCN2 | HCN3 | 119.0° | 120.9° |
| CN | N | CA | CB | 68.5° | 86.6° |
| CN | N | CA | CG1 | 131.6° | 156.9° |
| CN | N | CA | C | 72.2° | 59.6° |
| CA | N | CN | HCN1 | 175.0° | 165.6° |
| CA | N | CN | HCN2 | 64.3° | 45.7° |
| CA | N | CN | HCN3 | 54.3° | 74.3° |
| N | CA | CB | CG1 | 115.3° | 109.4° |
| N | CA | CB | C | 137.3° | 143.2° |
| N | CA | CG1 | C | 154.9° | 140.9° |
| N | CA | CB | CG2 | 149.1° | 142.7° |
| N | CA | CB | HB | 6.4° | 2.1° |
| N | CA | CG1 | HG13 | 9.9° | 1.3° |
| N | CA | CG1 | HG12 | 157.4° | 143.6° |
| N | CA | C | O | 131.5° | 95.7° |
| N | CA | C | OXT | 69.9° | 84.3° |
| H | N | CN | HCN1 | 59.7° | 45.2° |
| H | N | CN | HCN2 | 61.0° | 74.7° |
| H | N | CN | HCN3 | 179.6° | 165.3° |
| H | N | CA | CB | 56.8° | 33.8° |
| H | N | CA | CG1 | 6.3° | 36.5° |
| H | N | CA | C | 162.5° | 180.0° |
| HCN1 | CN | HCN2 | HCN3 | 118.3° | 118.3° |
| CB | CA | CG1 | C | 110.3° | 109.8° |
| CA | CB | CG1 | CG2 | 114.9° | 111.0° |
| CA | CB | CG1 | HB | 107.3° | 108.8° |
| CA | CB | CG2 | HB | 155.2° | 147.0° |
| CB | CA | CG1 | HG13 | 104.7° | 108.0° |
| CB | CA | CG1 | HG12 | 107.9° | 107.1° |
| CA | CB | CG2 | HG21 | 39.3° | 80.1° |
| CA | CB | CG2 | HG22 | 82.6° | 159.9° |
| CA | CB | CG2 | HG23 | 159.1° | 39.9° |
| CB | CA | C | O | 4.3° | 50.5° |
| CB | CA | C | OXT | 65.8° | 129.4° |
| CA | CG1 | HG13 | HG12 | 147.3° | 146.5° |
| CG1 | CA | C | O | 71.9° | 120.0° |
| CG1 | CA | C | OXT | 133.4° | 59.9° |
| C | CA | CB | CG2 | 11.8° | 0.5° |
| C | CA | CB | HB | 143.7° | 145.3° |
| C | CA | CG1 | HG13 | 145.0° | 142.2° |
| C | CA | CG1 | HG12 | 2.5° | 2.7° |
| CA | C | O | OXT | 83.5° | 180.0° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| CG1 | CB | CG2 | HB | 137.8° | 142.4° |
| CB | CG1 | HG13 | HG12 | 143.1° | 144.0° |
| CG1 | CB | CG2 | HG21 | 27.6° | 9.5° |
| CG1 | CB | CG2 | HG22 | 149.5° | 129.6° |
| CG1 | CB | CG2 | HG23 | 92.1° | 110.4° |
| CG2 | CB | CG1 | HG13 | 135.1° | 140.3° |
| CG2 | CB | CG1 | HG12 | 7.9° | 2.3° |
| CB | CG2 | HG21 | HG22 | 122.3° | 121.3° |
| CB | CG2 | HG21 | HG23 | 119.0° | 121.3° |
| CB | CG2 | HG22 | HG23 | 117.1° | 121.3° |
| HB | CB | CG1 | HG13 | 2.7° | 0.2° |
| HB | CB | CG1 | HG12 | 145.8° | 142.5° |
| HB | CB | CG2 | HG21 | 165.4° | 132.9° |
| HB | CB | CG2 | HG22 | 72.6° | 12.8° |
| HB | CB | CG2 | HG23 | 45.7° | 107.2° |
| HG21 | CG2 | HG22 | HG23 | 118.3° | 117.4° |
| O | C | OXT | HXT | 58.8° | 0.1° |
