HAR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| CB | CG | sing | 1.53Å | 1.50Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CB | HB3 | sing | 1.09Å | 1.12Å | |
| CG | CD | sing | 1.53Å | 1.52Å | |
| CG | HG2 | sing | 1.09Å | 1.12Å | |
| CG | HG3 | sing | 1.09Å | 1.11Å | |
| CD | NE | sing | 1.47Å | 1.46Å | |
| CD | HD2 | sing | 1.09Å | 1.12Å | |
| CD | HD3 | sing | 1.09Å | 1.11Å | |
| NE | CZ | sing | 1.37Å | 1.33Å | |
| NE | HE | sing | 0.97Å | 1.02Å | |
| CZ | NH1 | sing | 1.37Å | 1.34Å | |
| CZ | NH2 | doub | 1.30Å | 1.34Å | |
| NH1 | OH1 | sing | 1.42Å | 1.33Å | |
| NH1 | HH1 | sing | 0.97Å | 1.02Å | |
| NH2 | HH2 | sing | 0.97Å | 1.02Å | |
| OH1 | HO1 | 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 | N | H | 111.5° | 106.7° |
| CA | N | H2 | 111.4° | 106.6° |
| N | CA | C | 111.5° | 109.5° |
| N | CA | CB | 110.2° | 109.5° |
| N | CA | HA | 107.7° | 109.5° |
| H | N | H2 | 111.5° | 106.8° |
| C | CA | CB | 109.9° | 109.6° |
| C | CA | HA | 108.1° | 109.4° |
| CA | C | O | 118.0° | 120.0° |
| CA | C | OXT | 118.3° | 120.0° |
| CB | CA | HA | 109.4° | 109.4° |
| CA | CB | CG | 114.0° | 109.6° |
| CA | CB | HB2 | 110.6° | 109.4° |
| CA | CB | HB3 | 110.6° | 109.5° |
| O | C | OXT | 123.7° | 120.0° |
| C | OXT | HXT | 118.3° | 120.1° |
| CG | CB | HB2 | 110.5° | 109.4° |
| CG | CB | HB3 | 110.5° | 109.5° |
| CB | CG | CD | 111.1° | 109.5° |
| CB | CG | HG2 | 111.6° | 109.4° |
| CB | CG | HG3 | 111.6° | 109.5° |
| HB2 | CB | HB3 | 99.7° | 109.4° |
| CD | CG | HG2 | 111.6° | 109.5° |
| CD | CG | HG3 | 111.6° | 109.5° |
| CG | CD | NE | 110.8° | 109.5° |
| CG | CD | HD2 | 111.7° | 109.5° |
| CG | CD | HD3 | 111.7° | 109.5° |
| HG2 | CG | HG3 | 98.7° | 109.4° |
| NE | CD | HD2 | 111.7° | 109.5° |
| NE | CD | HD3 | 111.8° | 109.5° |
| CD | NE | CZ | 124.4° | 120.0° |
| CD | NE | HE | 106.9° | 119.9° |
| HD2 | CD | HD3 | 98.6° | 109.4° |
| CZ | NE | HE | 107.0° | 120.0° |
| NE | CZ | NH1 | 120.2° | 120.1° |
| NE | CZ | NH2 | 120.0° | 120.0° |
| NH1 | CZ | NH2 | 119.8° | 119.9° |
| CZ | NH1 | OH1 | 119.1° | 120.1° |
| CZ | NH1 | HH1 | 108.8° | 119.9° |
| CZ | NH2 | HH2 | 83.4° | 120.1° |
| OH1 | NH1 | HH1 | 108.7° | 120.0° |
| NH1 | OH1 | HO1 | 119.1° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.2° | 113.7° |
| N | CA | C | CB | 122.5° | 120.1° |
| N | CA | C | HA | 118.2° | 120.0° |
| N | CA | CB | HA | 118.3° | 120.0° |
| N | CA | C | O | 10.5° | 30.0° |
| N | CA | C | OXT | 170.7° | 150.0° |
| N | CA | CB | CG | 60.7° | 59.9° |
| N | CA | CB | HB2 | 64.6° | 60.1° |
| N | CA | CB | HB3 | 174.1° | 180.0° |
| H | N | CA | C | 180.0° | 173.8° |
| H | N | CA | CB | 57.7° | 53.7° |
| H | N | CA | HA | 61.6° | 66.2° |
| H2 | N | CA | C | 54.7° | 60.0° |
| H2 | N | CA | CB | 67.6° | 60.1° |
| H2 | N | CA | HA | 173.1° | 180.0° |
| C | CA | CB | HA | 118.5° | 119.9° |
| CA | C | O | OXT | 178.7° | 180.0° |
| C | CA | CB | CG | 176.0° | 180.0° |
| C | CA | CB | HB2 | 58.7° | 60.0° |
| C | CA | CB | HB3 | 50.8° | 59.9° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| CB | CA | C | O | 112.1° | 90.0° |
| CB | CA | C | OXT | 66.7° | 89.9° |
| CA | CB | CG | HB2 | 125.3° | 120.0° |
| CA | CB | CG | HB3 | 125.3° | 120.1° |
| CA | CB | HB2 | HB3 | 116.4° | 120.0° |
| CA | CB | CG | CD | 156.0° | 180.0° |
| CA | CB | CG | HG2 | 78.7° | 60.0° |
| CA | CB | CG | HG3 | 30.7° | 59.9° |
| HA | CA | C | O | 128.7° | 150.0° |
| HA | CA | C | OXT | 52.5° | 30.0° |
| HA | CA | CB | CG | 57.6° | 60.1° |
| HA | CA | CB | HB2 | 177.1° | 180.0° |
| HA | CA | CB | HB3 | 67.7° | 60.1° |
| O | C | OXT | HXT | 1.3° | 0.0° |
| CG | CB | HB2 | HB3 | 116.3° | 120.0° |
| CB | CG | CD | HG2 | 125.2° | 120.0° |
| CB | CG | CD | HG3 | 125.3° | 120.1° |
| CB | CG | HG2 | HG3 | 117.5° | 120.0° |
| CB | CG | CD | NE | 54.5° | 180.0° |
| CB | CG | CD | HD2 | 70.8° | 60.0° |
| CB | CG | CD | HD3 | 179.8° | 60.0° |
| HB2 | CB | CG | CD | 30.7° | 60.0° |
| HB2 | CB | CG | HG2 | 155.9° | 180.0° |
| HB2 | CB | CG | HG3 | 94.6° | 60.1° |
| HB3 | CB | CG | CD | 78.7° | 59.9° |
| HB3 | CB | CG | HG2 | 46.5° | 60.1° |
| HB3 | CB | CG | HG3 | 156.0° | 180.0° |
| CD | CG | HG2 | HG3 | 117.5° | 120.0° |
| CG | CD | NE | HD2 | 125.3° | 120.0° |
| CG | CD | NE | HD3 | 125.3° | 120.0° |
| CG | CD | HD2 | HD3 | 117.6° | 120.0° |
| CG | CD | NE | CZ | 168.7° | 180.0° |
| CG | CD | NE | HE | 66.1° | 0.0° |
| HG2 | CG | CD | NE | 179.7° | 60.0° |
| HG2 | CG | CD | HD2 | 54.5° | 180.0° |
| HG2 | CG | CD | HD3 | 54.9° | 60.0° |
| HG3 | CG | CD | NE | 70.8° | 59.9° |
| HG3 | CG | CD | HD2 | 163.9° | 60.1° |
| HG3 | CG | CD | HD3 | 54.5° | 180.0° |
| NE | CD | HD2 | HD3 | 117.6° | 120.0° |
| CD | NE | CZ | HE | 125.2° | 180.0° |
| CD | NE | CZ | NH1 | 0.7° | 180.0° |
| CD | NE | CZ | NH2 | 180.0° | 0.0° |
| HD2 | CD | NE | CZ | 66.1° | 60.0° |
| HD2 | CD | NE | HE | 59.2° | 120.0° |
| HD3 | CD | NE | CZ | 43.4° | 60.0° |
| HD3 | CD | NE | HE | 168.6° | 120.0° |
| NE | CZ | NH1 | NH2 | 179.3° | 179.9° |
| NE | CZ | NH1 | OH1 | 149.6° | 180.0° |
| NE | CZ | NH1 | HH1 | 85.1° | 0.1° |
| NE | CZ | NH2 | HH2 | 16.4° | 179.9° |
| HE | NE | CZ | NH1 | 125.9° | 0.0° |
| HE | NE | CZ | NH2 | 54.7° | 180.0° |
| CZ | NH1 | OH1 | HH1 | 125.3° | 179.9° |
| NH1 | CZ | NH2 | HH2 | 163.0° | 0.0° |
| CZ | NH1 | OH1 | HO1 | 180.0° | 180.0° |
| NH2 | CZ | NH1 | OH1 | 31.1° | 0.1° |
| NH2 | CZ | NH1 | HH1 | 94.2° | 180.0° |
| HH1 | NH1 | OH1 | HO1 | 54.7° | 0.1° |
