AHP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.53Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | CB | sing | 1.53Å | 1.57Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.35Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CB | CG | sing | 1.53Å | 1.58Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CB | HB3 | sing | 1.09Å | 1.12Å | |
| CG | CD | sing | 1.53Å | 1.56Å | |
| CG | HG2 | sing | 1.09Å | 1.11Å | |
| CG | HG3 | sing | 1.09Å | 1.12Å | |
| CD | CE | sing | 1.53Å | 1.56Å | |
| CD | HD2 | sing | 1.09Å | 1.11Å | |
| CD | HD3 | sing | 1.09Å | 1.12Å | |
| CE | CZ | sing | 1.53Å | 1.54Å | |
| CE | HE2 | sing | 1.09Å | 1.11Å | |
| CE | HE3 | sing | 1.09Å | 1.12Å | |
| CZ | HZ1 | sing | 1.09Å | 1.11Å | |
| CZ | HZ2 | sing | 1.09Å | 1.11Å | |
| CZ | HZ3 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 118.7° | 106.8° |
| CA | N | H2 | 108.9° | 106.7° |
| N | CA | C | 118.7° | 109.5° |
| N | CA | CB | 110.7° | 109.4° |
| N | CA | HA | 102.2° | 109.4° |
| H | N | H2 | 108.9° | 106.6° |
| C | CA | CB | 110.8° | 109.6° |
| C | CA | HA | 102.1° | 109.5° |
| CA | C | O | 120.5° | 120.0° |
| CA | C | OXT | 115.9° | 120.0° |
| CB | CA | HA | 111.6° | 109.4° |
| CA | CB | CG | 115.8° | 109.6° |
| CA | CB | HB2 | 109.9° | 109.5° |
| CA | CB | HB3 | 109.9° | 109.5° |
| O | C | OXT | 123.6° | 119.9° |
| C | OXT | HXT | 115.9° | 120.0° |
| CG | CB | HB2 | 109.9° | 109.4° |
| CG | CB | HB3 | 109.9° | 109.5° |
| CB | CG | CD | 117.6° | 109.6° |
| CB | CG | HG2 | 109.3° | 109.5° |
| CB | CG | HG3 | 109.3° | 109.5° |
| HB2 | CB | HB3 | 100.3° | 109.5° |
| CD | CG | HG2 | 109.2° | 109.4° |
| CD | CG | HG3 | 109.2° | 109.4° |
| CG | CD | CE | 112.5° | 109.6° |
| CG | CD | HD2 | 111.1° | 109.5° |
| CG | CD | HD3 | 111.1° | 109.5° |
| HG2 | CG | HG3 | 100.9° | 109.4° |
| CE | CD | HD2 | 111.1° | 109.4° |
| CE | CD | HD3 | 111.1° | 109.4° |
| CD | CE | CZ | 119.4° | 109.6° |
| CD | CE | HE2 | 108.6° | 109.5° |
| CD | CE | HE3 | 108.7° | 109.5° |
| HD2 | CD | HD3 | 99.3° | 109.4° |
| CZ | CE | HE2 | 108.7° | 109.4° |
| CZ | CE | HE3 | 108.6° | 109.4° |
| CE | CZ | HZ1 | 119.4° | 109.5° |
| CE | CZ | HZ2 | 108.6° | 109.4° |
| CE | CZ | HZ3 | 108.6° | 109.4° |
| HE2 | CE | HE3 | 101.3° | 109.4° |
| HZ1 | CZ | HZ2 | 108.6° | 109.5° |
| HZ1 | CZ | HZ3 | 108.6° | 109.6° |
| HZ2 | CZ | HZ3 | 101.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.2° | 113.8° |
| N | CA | C | CB | 129.7° | 120.0° |
| N | CA | C | HA | 111.3° | 120.0° |
| N | CA | CB | HA | 113.1° | 119.9° |
| N | CA | C | O | 145.9° | 30.1° |
| N | CA | C | OXT | 35.5° | 150.0° |
| N | CA | CB | CG | 51.3° | 60.0° |
| N | CA | CB | HB2 | 176.6° | 180.0° |
| N | CA | CB | HB3 | 74.0° | 60.1° |
| H | N | CA | C | 180.0° | 173.8° |
| H | N | CA | CB | 50.2° | 53.7° |
| H | N | CA | HA | 68.8° | 66.2° |
| H2 | N | CA | C | 54.8° | 60.0° |
| H2 | N | CA | CB | 75.0° | 60.1° |
| H2 | N | CA | HA | 166.0° | 180.0° |
| C | CA | CB | HA | 113.0° | 120.0° |
| CA | C | O | OXT | 178.4° | 179.9° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| C | CA | CB | CG | 82.5° | 180.0° |
| C | CA | CB | HB2 | 42.7° | 60.0° |
| C | CA | CB | HB3 | 152.2° | 60.0° |
| CB | CA | C | O | 84.4° | 89.9° |
| CB | CA | C | OXT | 94.1° | 90.0° |
| CA | CB | CG | HB2 | 125.3° | 120.0° |
| CA | CB | CG | HB3 | 125.3° | 120.0° |
| CA | CB | HB2 | HB3 | 115.7° | 120.0° |
| CA | CB | CG | CD | 86.9° | 180.0° |
| CA | CB | CG | HG2 | 38.4° | 60.0° |
| CA | CB | CG | HG3 | 147.9° | 60.0° |
| HA | CA | C | O | 34.6° | 150.0° |
| HA | CA | C | OXT | 146.9° | 30.0° |
| HA | CA | CB | CG | 164.4° | 59.9° |
| HA | CA | CB | HB2 | 70.3° | 60.1° |
| HA | CA | CB | HB3 | 39.2° | 180.0° |
| O | C | OXT | HXT | 1.5° | 0.0° |
| CG | CB | HB2 | HB3 | 115.7° | 119.9° |
| CB | CG | CD | HG2 | 125.3° | 120.0° |
| CB | CG | CD | HG3 | 125.3° | 120.1° |
| CB | CG | HG2 | HG3 | 115.0° | 120.0° |
| CB | CG | CD | CE | 66.3° | 180.0° |
| CB | CG | CD | HD2 | 58.9° | 60.0° |
| CB | CG | CD | HD3 | 168.5° | 60.0° |
| HB2 | CB | CG | CD | 147.8° | 60.0° |
| HB2 | CB | CG | HG2 | 86.9° | 180.0° |
| HB2 | CB | CG | HG3 | 22.6° | 60.0° |
| HB3 | CB | CG | CD | 38.4° | 60.0° |
| HB3 | CB | CG | HG2 | 163.7° | 60.0° |
| HB3 | CB | CG | HG3 | 86.8° | 180.0° |
| CD | CG | HG2 | HG3 | 115.0° | 119.9° |
| CG | CD | CE | HD2 | 125.3° | 120.0° |
| CG | CD | CE | HD3 | 125.2° | 120.1° |
| CG | CD | HD2 | HD3 | 117.0° | 120.0° |
| CG | CD | CE | CZ | 83.2° | 180.0° |
| CG | CD | CE | HE2 | 151.5° | 60.0° |
| CG | CD | CE | HE3 | 42.1° | 60.0° |
| HG2 | CG | CD | CE | 168.4° | 60.0° |
| HG2 | CG | CD | HD2 | 66.3° | 180.0° |
| HG2 | CG | CD | HD3 | 43.2° | 60.1° |
| HG3 | CG | CD | CE | 59.0° | 59.9° |
| HG3 | CG | CD | HD2 | 175.8° | 60.1° |
| HG3 | CG | CD | HD3 | 66.2° | 180.0° |
| CE | CD | HD2 | HD3 | 117.0° | 119.9° |
| CD | CE | CZ | HE2 | 125.3° | 120.0° |
| CD | CE | CZ | HE3 | 125.3° | 120.0° |
| CD | CE | HE2 | HE3 | 114.3° | 120.0° |
| CD | CE | CZ | HZ1 | 180.0° | 179.9° |
| CD | CE | CZ | HZ2 | 54.8° | 60.0° |
| CD | CE | CZ | HZ3 | 54.8° | 60.0° |
| HD2 | CD | CE | CZ | 42.1° | 60.0° |
| HD2 | CD | CE | HE2 | 83.2° | 180.0° |
| HD2 | CD | CE | HE3 | 167.4° | 60.0° |
| HD3 | CD | CE | CZ | 151.6° | 60.0° |
| HD3 | CD | CE | HE2 | 26.3° | 60.0° |
| HD3 | CD | CE | HE3 | 83.1° | 180.0° |
| CZ | CE | HE2 | HE3 | 114.3° | 119.9° |
| CE | CZ | HZ1 | HZ2 | 125.2° | 119.9° |
| CE | CZ | HZ1 | HZ3 | 125.3° | 120.0° |
| CE | CZ | HZ2 | HZ3 | 114.3° | 119.9° |
| HE2 | CE | CZ | HZ1 | 54.7° | 59.9° |
| HE2 | CE | CZ | HZ2 | 179.9° | 60.1° |
| HE2 | CE | CZ | HZ3 | 70.6° | 180.0° |
| HE3 | CE | CZ | HZ1 | 54.7° | 60.0° |
| HE3 | CE | CZ | HZ2 | 70.5° | 180.0° |
| HE3 | CE | CZ | HZ3 | 180.0° | 60.1° |
| HZ1 | CZ | HZ2 | HZ3 | 114.3° | 120.1° |
