BET
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.39Å | |
| N | C1 | sing | 1.47Å | 1.37Å | |
| N | C2 | sing | 1.47Å | 1.37Å | |
| N | C3 | sing | 1.47Å | 1.37Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | HA2 | sing | 1.09Å | 1.11Å | |
| CA | HA3 | sing | 1.09Å | 1.11Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C1 | H13 | sing | 1.09Å | 1.11Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C2 | H23 | sing | 1.09Å | 1.12Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C3 | H33 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | C1 | 109.1° | 109.5° |
| CA | N | C2 | 109.1° | 109.5° |
| CA | N | C3 | 109.7° | 109.5° |
| N | CA | C | 112.2° | 109.5° |
| N | CA | HA2 | 111.2° | 109.4° |
| N | CA | HA3 | 111.2° | 109.5° |
| C1 | N | C2 | 108.9° | 109.5° |
| C1 | N | C3 | 109.5° | 109.5° |
| N | C1 | H11 | 109.1° | 109.5° |
| N | C1 | H12 | 112.3° | 109.5° |
| N | C1 | H13 | 112.3° | 109.5° |
| C2 | N | C3 | 110.6° | 109.5° |
| N | C2 | H21 | 109.0° | 109.5° |
| N | C2 | H22 | 112.4° | 109.5° |
| N | C2 | H23 | 112.4° | 109.5° |
| N | C3 | H31 | 109.7° | 109.5° |
| N | C3 | H32 | 112.1° | 109.5° |
| N | C3 | H33 | 112.1° | 109.5° |
| C | CA | HA2 | 111.2° | 109.5° |
| C | CA | HA3 | 111.2° | 109.5° |
| CA | C | O | 117.7° | 120.0° |
| CA | C | OXT | 117.2° | 120.0° |
| HA2 | CA | HA3 | 99.1° | 109.5° |
| O | C | OXT | 119.4° | 120.0° |
| C | OXT | HXT | 117.2° | 120.0° |
| H11 | C1 | H12 | 112.4° | 109.4° |
| H11 | C1 | H13 | 112.4° | 109.5° |
| H12 | C1 | H13 | 98.1° | 109.5° |
| H21 | C2 | H22 | 112.4° | 109.4° |
| H21 | C2 | H23 | 112.3° | 109.5° |
| H22 | C2 | H23 | 98.1° | 109.5° |
| H31 | C3 | H32 | 112.1° | 109.4° |
| H31 | C3 | H33 | 112.2° | 109.4° |
| H32 | C3 | H33 | 98.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | C1 | C2 | 118.9° | 120.0° |
| CA | N | C1 | C3 | 120.1° | 120.0° |
| CA | N | C2 | C3 | 120.7° | 120.0° |
| N | CA | C | HA2 | 125.3° | 120.0° |
| N | CA | C | HA3 | 125.3° | 120.0° |
| N | CA | HA2 | HA3 | 117.1° | 120.0° |
| N | CA | C | O | 106.6° | 5.8° |
| N | CA | C | OXT | 100.0° | 174.2° |
| CA | N | C1 | H11 | 180.0° | 67.9° |
| CA | N | C1 | H12 | 54.7° | 52.1° |
| CA | N | C1 | H13 | 54.7° | 172.1° |
| CA | N | C2 | H21 | 180.0° | 172.0° |
| CA | N | C2 | H22 | 54.7° | 52.1° |
| CA | N | C2 | H23 | 54.8° | 68.0° |
| CA | N | C3 | H31 | 180.0° | 60.0° |
| CA | N | C3 | H32 | 54.8° | 60.0° |
| CA | N | C3 | H33 | 54.7° | 180.0° |
| C1 | N | C2 | C3 | 120.4° | 120.0° |
| C1 | N | CA | C | 177.9° | 62.6° |
| C1 | N | CA | HA2 | 56.8° | 177.4° |
| C1 | N | CA | HA3 | 52.6° | 57.5° |
| N | C1 | H11 | H12 | 125.2° | 120.0° |
| N | C1 | H11 | H13 | 125.3° | 120.0° |
| N | C1 | H12 | H13 | 118.2° | 120.0° |
| C1 | N | C2 | H21 | 61.1° | 68.0° |
| C1 | N | C2 | H22 | 64.2° | 172.1° |
| C1 | N | C2 | H23 | 173.7° | 52.0° |
| C1 | N | C3 | H31 | 60.3° | 60.0° |
| C1 | N | C3 | H32 | 174.5° | 180.0° |
| C1 | N | C3 | H33 | 65.0° | 60.0° |
| C2 | N | CA | C | 63.3° | 57.4° |
| C2 | N | CA | HA2 | 61.9° | 62.6° |
| C2 | N | CA | HA3 | 171.4° | 177.5° |
| C2 | N | C1 | H11 | 61.1° | 52.2° |
| C2 | N | C1 | H12 | 173.6° | 172.1° |
| C2 | N | C1 | H13 | 64.2° | 67.9° |
| N | C2 | H21 | H22 | 125.3° | 119.9° |
| N | C2 | H21 | H23 | 125.2° | 120.0° |
| N | C2 | H22 | H23 | 118.3° | 120.0° |
| C2 | N | C3 | H31 | 59.7° | 180.0° |
| C2 | N | C3 | H32 | 65.6° | 60.0° |
| C2 | N | C3 | H33 | 175.0° | 60.0° |
| C3 | N | CA | C | 57.9° | 177.4° |
| C3 | N | CA | HA2 | 176.8° | 57.4° |
| C3 | N | CA | HA3 | 67.3° | 62.5° |
| C3 | N | C1 | H11 | 59.9° | 172.1° |
| C3 | N | C1 | H12 | 65.3° | 67.9° |
| C3 | N | C1 | H13 | 174.8° | 52.1° |
| C3 | N | C2 | H21 | 59.3° | 52.0° |
| C3 | N | C2 | H22 | 175.4° | 67.9° |
| C3 | N | C2 | H23 | 65.9° | 172.0° |
| N | C3 | H31 | H32 | 125.2° | 120.0° |
| N | C3 | H31 | H33 | 125.3° | 120.1° |
| N | C3 | H32 | H33 | 118.0° | 120.1° |
| C | CA | HA2 | HA3 | 117.1° | 120.0° |
| CA | C | O | OXT | 152.8° | 180.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| HA2 | CA | C | O | 18.7° | 125.8° |
| HA2 | CA | C | OXT | 134.7° | 54.2° |
| HA3 | CA | C | O | 128.1° | 114.2° |
| HA3 | CA | C | OXT | 25.3° | 65.8° |
| O | C | OXT | HXT | 27.1° | 0.0° |
| H11 | C1 | H12 | H13 | 118.3° | 120.0° |
| H21 | C2 | H22 | H23 | 118.3° | 120.0° |
| H31 | C3 | H32 | H33 | 118.1° | 119.9° |
