NMC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.45Å | |
| N | CN | sing | 1.47Å | 1.48Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | HA3 | sing | 1.09Å | 1.12Å | |
| CA | HA2 | sing | 1.09Å | 1.11Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| CN | CX1 | sing | 1.53Å | 1.50Å | |
| CN | HCN1 | sing | 1.09Å | 1.11Å | |
| CN | HCN2 | sing | 1.09Å | 1.12Å | |
| CX1 | CX2 | sing | 1.53Å | 1.48Å | |
| CX1 | CX3 | sing | 1.53Å | 1.48Å | |
| CX1 | HCX1 | sing | 1.09Å | 1.12Å | |
| CX2 | CX3 | sing | 1.53Å | 1.48Å | |
| CX2 | HC21 | sing | 1.09Å | 1.11Å | |
| CX2 | HC22 | sing | 1.09Å | 1.11Å | |
| CX3 | HC31 | sing | 1.09Å | 1.12Å | |
| CX3 | HC32 | 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 | CN | 118.2° | 106.7° |
| CA | N | H | 109.0° | 106.8° |
| N | CA | C | 114.2° | 109.5° |
| N | CA | HA3 | 110.5° | 109.5° |
| N | CA | HA2 | 110.5° | 109.4° |
| CN | N | H | 109.1° | 106.7° |
| N | CN | CX1 | 104.5° | 109.5° |
| N | CN | HCN1 | 114.0° | 109.4° |
| N | CN | HCN2 | 114.0° | 109.5° |
| C | CA | HA3 | 110.5° | 109.5° |
| C | CA | HA2 | 110.5° | 109.5° |
| CA | C | O | 120.7° | 120.0° |
| CA | C | OXT | 117.3° | 120.1° |
| HA3 | CA | HA2 | 99.8° | 109.4° |
| O | C | OXT | 122.1° | 120.0° |
| C | OXT | HXT | 117.3° | 120.0° |
| CX1 | CN | HCN1 | 114.1° | 109.4° |
| CX1 | CN | HCN2 | 114.1° | 109.5° |
| CN | CX1 | CX2 | 115.7° | 117.5° |
| CN | CX1 | CX3 | 116.1° | 117.5° |
| CN | CX1 | HCX1 | 94.8° | 115.5° |
| HCN1 | CN | HCN2 | 96.4° | 109.5° |
| CX2 | CX1 | CX3 | 60.0° | 60.0° |
| CX2 | CX1 | HCX1 | 135.3° | 117.5° |
| CX1 | CX2 | CX3 | 60.1° | 60.0° |
| CX1 | CX2 | HC21 | 134.9° | 117.6° |
| CX1 | CX2 | HC22 | 134.9° | 117.5° |
| CX3 | CX1 | HCX1 | 135.0° | 117.5° |
| CX1 | CX3 | CX2 | 59.9° | 60.0° |
| CX1 | CX3 | HC31 | 135.0° | 117.5° |
| CX1 | CX3 | HC32 | 135.0° | 117.5° |
| CX3 | CX2 | HC21 | 134.9° | 117.5° |
| CX3 | CX2 | HC22 | 134.9° | 117.5° |
| CX2 | CX3 | HC31 | 135.1° | 117.5° |
| CX2 | CX3 | HC32 | 135.0° | 117.5° |
| HC21 | CX2 | HC22 | 70.7° | 115.5° |
| HC31 | CX3 | HC32 | 70.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | CN | H | 125.3° | 113.9° |
| N | CA | C | HA3 | 125.2° | 120.1° |
| N | CA | C | HA2 | 125.3° | 120.0° |
| N | CA | HA3 | HA2 | 116.3° | 119.9° |
| N | CA | C | O | 9.4° | 0.0° |
| N | CA | C | OXT | 170.6° | 180.0° |
| CA | N | CN | CX1 | 51.4° | 180.0° |
| CA | N | CN | HCN1 | 73.9° | 60.0° |
| CA | N | CN | HCN2 | 176.7° | 60.0° |
| CN | N | CA | C | 108.7° | 180.0° |
| CN | N | CA | HA3 | 126.0° | 59.9° |
| CN | N | CA | HA2 | 16.5° | 60.0° |
| N | CN | CX1 | HCN1 | 125.2° | 120.0° |
| N | CN | CX1 | HCN2 | 125.2° | 120.0° |
| N | CN | HCN1 | HCN2 | 119.9° | 120.0° |
| N | CN | CX1 | CX2 | 180.0° | 180.0° |
| N | CN | CX1 | CX3 | 112.5° | 111.4° |
| N | CN | CX1 | HCX1 | 33.7° | 34.4° |
| H | N | CA | C | 16.6° | 66.2° |
| H | N | CA | HA3 | 108.7° | 173.7° |
| H | N | CA | HA2 | 141.9° | 53.8° |
| H | N | CN | CX1 | 73.9° | 66.2° |
| H | N | CN | HCN1 | 160.9° | 173.9° |
| H | N | CN | HCN2 | 51.4° | 53.8° |
| C | CA | HA3 | HA2 | 116.3° | 120.0° |
| CA | C | O | OXT | 180.0° | 180.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| HA3 | CA | C | O | 115.8° | 120.1° |
| HA3 | CA | C | OXT | 64.2° | 59.9° |
| HA2 | CA | C | O | 134.7° | 120.0° |
| HA2 | CA | C | OXT | 45.3° | 60.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| CX1 | CN | HCN1 | HCN2 | 120.0° | 120.0° |
| CN | CX1 | CX2 | CX3 | 106.6° | 107.5° |
| CN | CX1 | CX2 | HCX1 | 128.2° | 145.0° |
| CN | CX1 | CX3 | HCX1 | 128.4° | 145.1° |
| CN | CX1 | CX2 | HC21 | 18.6° | 145.0° |
| CN | CX1 | CX2 | HC22 | 128.1° | 0.0° |
| CN | CX1 | CX3 | HC31 | 128.8° | 0.0° |
| CN | CX1 | CX3 | HC32 | 19.4° | 145.0° |
| HCN1 | CN | CX1 | CX2 | 54.7° | 60.0° |
| HCN1 | CN | CX1 | CX3 | 12.7° | 128.6° |
| HCN1 | CN | CX1 | HCX1 | 158.9° | 85.6° |
| HCN2 | CN | CX1 | CX2 | 54.8° | 60.0° |
| HCN2 | CN | CX1 | CX3 | 122.2° | 8.6° |
| HCN2 | CN | CX1 | HCX1 | 91.6° | 154.4° |
| CX2 | CX1 | CX3 | HCX1 | 125.7° | 107.4° |
| CX1 | CX2 | CX3 | HC21 | 125.2° | 107.6° |
| CX1 | CX2 | CX3 | HC22 | 125.2° | 107.5° |
| CX1 | CX2 | HC21 | HC22 | 135.0° | 145.7° |
| CX2 | CX1 | CX3 | HC31 | 125.3° | 107.5° |
| CX2 | CX1 | CX3 | HC32 | 125.3° | 107.5° |
| CX1 | CX3 | HC31 | HC32 | 135.0° | 145.6° |
| HCX1 | CX1 | CX2 | HC21 | 109.6° | 0.0° |
| HCX1 | CX1 | CX2 | HC22 | 0.1° | 144.9° |
| HCX1 | CX1 | CX3 | HC31 | 0.4° | 145.1° |
| HCX1 | CX1 | CX3 | HC32 | 109.0° | 0.1° |
| CX3 | CX2 | HC21 | HC22 | 135.0° | 145.7° |
| CX2 | CX3 | HC31 | HC32 | 135.0° | 145.7° |
| HC21 | CX2 | CX3 | HC31 | 109.6° | 145.0° |
| HC21 | CX2 | CX3 | HC32 | 0.0° | 0.1° |
| HC22 | CX2 | CX3 | HC31 | 0.0° | 0.0° |
| HC22 | CX2 | CX3 | HC32 | 109.5° | 145.0° |
