AHO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | CA | sing | 1.51Å | 1.50Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C | OXT | sing | 1.34Å | 1.31Å | |
| CA | C3 | sing | 1.53Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | HC31 | sing | 1.09Å | 1.12Å | |
| C3 | HC32 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | HC41 | sing | 1.09Å | 1.11Å | |
| C4 | HC42 | sing | 1.09Å | 1.11Å | |
| C5 | N2 | sing | 1.46Å | 1.46Å | |
| C5 | HC51 | sing | 1.09Å | 1.12Å | |
| C5 | HC52 | sing | 1.09Å | 1.11Å | |
| C6 | C7 | sing | 1.51Å | 1.46Å | |
| C6 | N2 | sing | 1.35Å | 1.34Å | |
| C6 | O3 | doub | 1.21Å | 1.26Å | |
| C7 | HC71 | sing | 1.09Å | 1.12Å | |
| C7 | HC72 | sing | 1.09Å | 1.11Å | |
| C7 | HC73 | sing | 1.09Å | 1.11Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| N2 | O2 | sing | 1.42Å | 1.41Å | |
| O2 | HO21 | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | O | 120.6° | 120.0° |
| CA | C | OXT | 117.4° | 120.0° |
| C | CA | C3 | 112.9° | 109.5° |
| C | CA | N | 114.0° | 109.4° |
| C | CA | HA | 103.3° | 109.5° |
| O | C | OXT | 122.0° | 120.0° |
| C | OXT | HXT | 117.3° | 120.0° |
| C3 | CA | N | 108.1° | 109.5° |
| C3 | CA | HA | 109.8° | 109.5° |
| CA | C3 | C4 | 111.4° | 109.5° |
| CA | C3 | HC31 | 111.5° | 109.4° |
| CA | C3 | HC32 | 111.5° | 109.5° |
| N | CA | HA | 108.6° | 109.4° |
| CA | N | H | 113.9° | 106.7° |
| CA | N | H2 | 110.5° | 106.7° |
| C4 | C3 | HC31 | 111.5° | 109.4° |
| C4 | C3 | HC32 | 111.5° | 109.5° |
| C3 | C4 | C5 | 112.7° | 109.5° |
| C3 | C4 | HC41 | 111.0° | 109.5° |
| C3 | C4 | HC42 | 111.0° | 109.5° |
| HC31 | C3 | HC32 | 98.8° | 109.5° |
| C5 | C4 | HC41 | 111.0° | 109.5° |
| C5 | C4 | HC42 | 111.0° | 109.4° |
| C4 | C5 | N2 | 114.3° | 109.5° |
| C4 | C5 | HC51 | 110.4° | 109.5° |
| C4 | C5 | HC52 | 110.5° | 109.5° |
| HC41 | C4 | HC42 | 99.4° | 109.5° |
| N2 | C5 | HC51 | 110.4° | 109.5° |
| N2 | C5 | HC52 | 110.4° | 109.5° |
| C5 | N2 | C6 | 130.2° | 120.1° |
| C5 | N2 | O2 | 112.6° | 120.0° |
| HC51 | C5 | HC52 | 99.8° | 109.4° |
| C7 | C6 | N2 | 123.1° | 120.1° |
| C7 | C6 | O3 | 120.2° | 120.0° |
| C6 | C7 | HC71 | 123.1° | 109.4° |
| C6 | C7 | HC72 | 107.4° | 109.5° |
| C6 | C7 | HC73 | 107.4° | 109.4° |
| N2 | C6 | O3 | 116.7° | 120.0° |
| C6 | N2 | O2 | 117.3° | 120.0° |
| HC71 | C7 | HC72 | 107.3° | 109.5° |
| HC71 | C7 | HC73 | 107.4° | 109.5° |
| HC72 | C7 | HC73 | 102.4° | 109.5° |
| H | N | H2 | 110.6° | 106.7° |
| N2 | O2 | HO21 | 112.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | O | OXT | 179.5° | 180.0° |
| C | CA | C3 | N | 127.0° | 120.0° |
| C | CA | C3 | HA | 114.7° | 120.1° |
| C | CA | N | HA | 114.6° | 120.0° |
| C | CA | C3 | C4 | 152.1° | 180.0° |
| C | CA | C3 | HC31 | 82.6° | 60.0° |
| C | CA | C3 | HC32 | 26.8° | 59.9° |
| C | CA | N | H | 179.9° | 60.0° |
| C | CA | N | H2 | 54.7° | 173.8° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| O | C | CA | C3 | 33.9° | 89.9° |
| O | C | CA | N | 157.7° | 30.1° |
| O | C | CA | HA | 84.6° | 150.0° |
| O | C | OXT | HXT | 0.5° | 0.0° |
| OXT | C | CA | C3 | 146.5° | 90.0° |
| OXT | C | CA | N | 22.7° | 150.0° |
| OXT | C | CA | HA | 95.0° | 30.1° |
| C3 | CA | N | HA | 119.1° | 120.0° |
| CA | C3 | C4 | HC31 | 125.3° | 120.0° |
| CA | C3 | C4 | HC32 | 125.3° | 120.1° |
| CA | C3 | HC31 | HC32 | 117.4° | 120.0° |
| CA | C3 | C4 | C5 | 165.1° | 180.0° |
| CA | C3 | C4 | HC41 | 69.7° | 60.0° |
| CA | C3 | C4 | HC42 | 39.8° | 60.0° |
| C3 | CA | N | H | 53.6° | 60.0° |
| C3 | CA | N | H2 | 71.6° | 53.8° |
| N | CA | C3 | C4 | 80.9° | 60.0° |
| N | CA | C3 | HC31 | 44.4° | 180.0° |
| N | CA | C3 | HC32 | 153.8° | 60.1° |
| CA | N | H | H2 | 125.2° | 113.8° |
| HA | CA | C3 | C4 | 37.4° | 59.9° |
| HA | CA | C3 | HC31 | 162.7° | 60.1° |
| HA | CA | C3 | HC32 | 87.9° | 180.0° |
| HA | CA | N | H | 65.5° | 180.0° |
| HA | CA | N | H2 | 169.3° | 66.2° |
| C4 | C3 | HC31 | HC32 | 117.4° | 120.0° |
| C3 | C4 | C5 | HC41 | 125.2° | 120.0° |
| C3 | C4 | C5 | HC42 | 125.3° | 120.0° |
| C3 | C4 | HC41 | HC42 | 116.9° | 120.0° |
| C3 | C4 | C5 | N2 | 56.4° | 180.0° |
| C3 | C4 | C5 | HC51 | 68.8° | 60.0° |
| C3 | C4 | C5 | HC52 | 178.3° | 59.9° |
| HC31 | C3 | C4 | C5 | 39.8° | 60.0° |
| HC31 | C3 | C4 | HC41 | 165.0° | 180.0° |
| HC31 | C3 | C4 | HC42 | 85.4° | 60.0° |
| HC32 | C3 | C4 | C5 | 69.6° | 59.9° |
| HC32 | C3 | C4 | HC41 | 55.6° | 60.1° |
| HC32 | C3 | C4 | HC42 | 165.1° | 179.9° |
| C5 | C4 | HC41 | HC42 | 116.9° | 119.9° |
| C4 | C5 | N2 | HC51 | 125.2° | 120.1° |
| C4 | C5 | N2 | HC52 | 125.3° | 120.0° |
| C4 | C5 | HC51 | HC52 | 116.3° | 119.9° |
| C4 | C5 | N2 | C6 | 146.1° | 90.0° |
| C4 | C5 | N2 | O2 | 34.4° | 90.0° |
| HC41 | C4 | C5 | N2 | 178.3° | 59.9° |
| HC41 | C4 | C5 | HC51 | 56.5° | 180.0° |
| HC41 | C4 | C5 | HC52 | 53.0° | 60.1° |
| HC42 | C4 | C5 | N2 | 68.8° | 60.0° |
| HC42 | C4 | C5 | HC51 | 166.0° | 60.1° |
| HC42 | C4 | C5 | HC52 | 56.5° | 180.0° |
| N2 | C5 | HC51 | HC52 | 116.3° | 120.0° |
| C5 | N2 | C6 | C7 | 0.3° | 180.0° |
| C5 | N2 | C6 | O2 | 179.5° | 180.0° |
| C5 | N2 | C6 | O3 | 179.9° | 0.0° |
| C5 | N2 | O2 | HO21 | 179.9° | 180.0° |
| HC51 | C5 | N2 | C6 | 20.8° | 150.0° |
| HC51 | C5 | N2 | O2 | 159.6° | 30.0° |
| HC52 | C5 | N2 | C6 | 88.6° | 30.0° |
| HC52 | C5 | N2 | O2 | 90.9° | 149.9° |
| C7 | C6 | N2 | O3 | 179.8° | 180.0° |
| C6 | C7 | HC71 | HC72 | 125.2° | 120.0° |
| C6 | C7 | HC71 | HC73 | 125.3° | 119.9° |
| C6 | C7 | HC72 | HC73 | 112.9° | 120.0° |
| C7 | C6 | N2 | O2 | 179.2° | 0.0° |
| N2 | C6 | C7 | HC71 | 180.0° | 180.0° |
| N2 | C6 | C7 | HC72 | 54.8° | 60.0° |
| N2 | C6 | C7 | HC73 | 54.7° | 60.0° |
| C6 | N2 | O2 | HO21 | 0.4° | 0.0° |
| O3 | C6 | C7 | HC71 | 0.2° | 0.0° |
| O3 | C6 | C7 | HC72 | 125.4° | 120.0° |
| O3 | C6 | C7 | HC73 | 125.1° | 120.0° |
| O3 | C6 | N2 | O2 | 0.6° | 180.0° |
| HC71 | C7 | HC72 | HC73 | 112.9° | 120.0° |
