NNH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.45Å | |
| 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 | 1.55Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| C | O | doub | 1.21Å | 1.21Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| CB | CG | sing | 1.53Å | 1.56Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CB | HB3 | sing | 1.09Å | 1.11Å | |
| CG | ND | sing | 1.46Å | 1.49Å | |
| CG | HG2 | sing | 1.09Å | 1.12Å | |
| CG | HG3 | sing | 1.09Å | 1.12Å | |
| ND | CE | sing | 1.37Å | 1.38Å | |
| ND | HD | sing | 0.97Å | 1.02Å | |
| CE | NH1 | sing | 1.37Å | 1.44Å | |
| CE | NH2 | doub | 1.30Å | 1.34Å | |
| NH1 | OH1 | sing | 1.42Å | 1.30Å | |
| 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 | 112.4° | 106.7° |
| CA | N | H2 | 111.2° | 106.7° |
| N | CA | C | 112.4° | 109.4° |
| N | CA | CB | 107.9° | 109.5° |
| N | CA | HA | 109.5° | 109.4° |
| H | N | H2 | 111.0° | 106.7° |
| C | CA | CB | 112.0° | 109.6° |
| C | CA | HA | 105.1° | 109.5° |
| CA | C | O | 126.5° | 120.0° |
| CA | C | OXT | 111.0° | 119.9° |
| CB | CA | HA | 109.9° | 109.5° |
| CA | CB | CG | 119.4° | 109.5° |
| CA | CB | HB2 | 108.7° | 109.5° |
| CA | CB | HB3 | 108.6° | 109.5° |
| O | C | OXT | 122.5° | 120.1° |
| C | OXT | HXT | 111.0° | 119.9° |
| CG | CB | HB2 | 108.6° | 109.5° |
| CG | CB | HB3 | 108.6° | 109.5° |
| CB | CG | ND | 108.6° | 109.5° |
| CB | CG | HG2 | 112.6° | 109.5° |
| CB | CG | HG3 | 112.6° | 109.5° |
| HB2 | CB | HB3 | 101.4° | 109.4° |
| ND | CG | HG2 | 112.5° | 109.4° |
| ND | CG | HG3 | 112.5° | 109.5° |
| CG | ND | CE | 129.6° | 120.1° |
| CG | ND | HD | 105.2° | 120.0° |
| HG2 | CG | HG3 | 97.9° | 109.4° |
| CE | ND | HD | 105.1° | 120.0° |
| ND | CE | NH1 | 120.1° | 120.0° |
| ND | CE | NH2 | 123.5° | 120.0° |
| NH1 | CE | NH2 | 116.3° | 120.0° |
| CE | NH1 | OH1 | 121.0° | 120.0° |
| CE | NH1 | HH1 | 108.1° | 120.0° |
| CE | NH2 | HH2 | 71.5° | 120.0° |
| OH1 | NH1 | HH1 | 108.1° | 120.0° |
| NH1 | OH1 | HO1 | 121.0° | 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 | 121.7° | 120.1° |
| N | CA | C | HA | 119.0° | 119.9° |
| N | CA | CB | HA | 119.3° | 120.0° |
| N | CA | C | O | 0.8° | 30.0° |
| N | CA | C | OXT | 178.5° | 150.0° |
| N | CA | CB | CG | 58.4° | 60.0° |
| N | CA | CB | HB2 | 176.4° | 60.1° |
| N | CA | CB | HB3 | 66.9° | 180.0° |
| H | N | CA | C | 179.9° | 60.1° |
| H | N | CA | CB | 55.9° | 60.0° |
| H | N | CA | HA | 63.7° | 180.0° |
| H2 | N | CA | C | 54.8° | 173.8° |
| H2 | N | CA | CB | 69.2° | 53.7° |
| H2 | N | CA | HA | 171.2° | 66.2° |
| C | CA | CB | HA | 116.4° | 120.0° |
| CA | C | O | OXT | 179.3° | 180.0° |
| C | CA | CB | CG | 65.9° | 180.0° |
| C | CA | CB | HB2 | 59.4° | 60.0° |
| C | CA | CB | HB3 | 168.9° | 60.0° |
| CA | C | OXT | HXT | 179.9° | 179.9° |
| CB | CA | C | O | 120.9° | 90.0° |
| CB | CA | C | OXT | 59.8° | 90.0° |
| CA | CB | CG | HB2 | 125.3° | 120.0° |
| CA | CB | CG | HB3 | 125.3° | 120.1° |
| CA | CB | HB2 | HB3 | 114.3° | 120.0° |
| CA | CB | CG | ND | 151.3° | 180.0° |
| CA | CB | CG | HG2 | 83.4° | 60.0° |
| CA | CB | CG | HG3 | 26.0° | 59.9° |
| HA | CA | C | O | 119.8° | 150.0° |
| HA | CA | C | OXT | 59.5° | 30.0° |
| HA | CA | CB | CG | 177.7° | 60.0° |
| HA | CA | CB | HB2 | 57.1° | 180.0° |
| HA | CA | CB | HB3 | 52.4° | 60.1° |
| O | C | OXT | HXT | 0.7° | 0.1° |
| CG | CB | HB2 | HB3 | 114.3° | 120.0° |
| CB | CG | ND | HG2 | 125.3° | 120.0° |
| CB | CG | ND | HG3 | 125.3° | 120.1° |
| CB | CG | HG2 | HG3 | 118.5° | 120.0° |
| CB | CG | ND | CE | 176.7° | 179.9° |
| CB | CG | ND | HD | 51.5° | 0.0° |
| HB2 | CB | CG | ND | 26.0° | 60.0° |
| HB2 | CB | CG | HG2 | 151.3° | 180.0° |
| HB2 | CB | CG | HG3 | 99.2° | 60.1° |
| HB3 | CB | CG | ND | 83.4° | 59.9° |
| HB3 | CB | CG | HG2 | 41.8° | 60.1° |
| HB3 | CB | CG | HG3 | 151.3° | 180.0° |
| ND | CG | HG2 | HG3 | 118.4° | 120.0° |
| CG | ND | CE | HD | 125.3° | 179.9° |
| CG | ND | CE | NH1 | 0.2° | 180.0° |
| CG | ND | CE | NH2 | 179.8° | 0.1° |
| HG2 | CG | ND | CE | 51.4° | 60.0° |
| HG2 | CG | ND | HD | 73.8° | 120.0° |
| HG3 | CG | ND | CE | 58.0° | 59.9° |
| HG3 | CG | ND | HD | 176.8° | 120.0° |
| ND | CE | NH1 | NH2 | 180.0° | 179.9° |
| ND | CE | NH1 | OH1 | 179.6° | 180.0° |
| ND | CE | NH1 | HH1 | 54.3° | 0.1° |
| ND | CE | NH2 | HH2 | 168.8° | 179.9° |
| HD | ND | CE | NH1 | 125.1° | 0.1° |
| HD | ND | CE | NH2 | 55.0° | 180.0° |
| CE | NH1 | OH1 | HH1 | 125.3° | 179.9° |
| NH1 | CE | NH2 | HH2 | 11.1° | 0.1° |
| CE | NH1 | OH1 | HO1 | 180.0° | 180.0° |
| NH2 | CE | NH1 | OH1 | 0.4° | 0.1° |
| NH2 | CE | NH1 | HH1 | 125.7° | 180.0° |
| HH1 | NH1 | OH1 | HO1 | 54.7° | 0.0° |
