NPI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | CB | sing | 1.53Å | 1.50Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | C4 | sing | 1.53Å | 1.50Å | |
| CB | H31 | sing | 1.09Å | 1.10Å | |
| CB | H32 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.31Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C7 | O71 | doub | 1.21Å | 1.24Å | |
| C7 | O72 | sing | 1.34Å | 1.31Å | |
| O72 | HO | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CB | CA | C | 108.1° | 109.5° |
| CB | CA | N | 110.8° | 109.5° |
| CB | CA | HA | 110.1° | 109.5° |
| CA | CB | C4 | 108.9° | 109.4° |
| CA | CB | H31 | 109.7° | 109.4° |
| CA | CB | H32 | 109.6° | 109.5° |
| C | CA | N | 111.1° | 109.5° |
| C | CA | HA | 109.8° | 109.4° |
| CA | C | O | 121.5° | 120.0° |
| CA | C | OXT | 117.1° | 120.1° |
| N | CA | HA | 107.0° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| C4 | CB | H31 | 109.7° | 109.5° |
| C4 | CB | H32 | 109.7° | 109.5° |
| CB | C4 | C5 | 111.1° | 109.4° |
| CB | C4 | H41 | 108.9° | 109.5° |
| CB | C4 | H42 | 108.9° | 109.5° |
| H31 | CB | H32 | 109.3° | 109.5° |
| C5 | C4 | H41 | 108.9° | 109.4° |
| C5 | C4 | H42 | 108.9° | 109.5° |
| C4 | C5 | C6 | 115.0° | 109.5° |
| C4 | C5 | H51 | 107.6° | 109.5° |
| C4 | C5 | H52 | 107.6° | 109.5° |
| H41 | C4 | H42 | 110.0° | 109.5° |
| C6 | C5 | H51 | 107.7° | 109.5° |
| C6 | C5 | H52 | 107.7° | 109.5° |
| C5 | C6 | C7 | 117.4° | 109.5° |
| C5 | C6 | H61 | 106.9° | 109.5° |
| C5 | C6 | H62 | 106.9° | 109.5° |
| H51 | C5 | H52 | 111.2° | 109.5° |
| C7 | C6 | H61 | 106.9° | 109.5° |
| C7 | C6 | H62 | 106.9° | 109.5° |
| C6 | C7 | O71 | 122.7° | 120.0° |
| C6 | C7 | O72 | 125.1° | 120.0° |
| H61 | C6 | H62 | 111.9° | 109.5° |
| O | C | OXT | 121.4° | 119.9° |
| C | OXT | HXT | 109.5° | 117.1° |
| H | N | H2 | 109.5° | 111.0° |
| O71 | C7 | O72 | 112.1° | 120.0° |
| C7 | O72 | HO | 109.5° | 116.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CB | CA | C | N | 121.7° | 120.1° |
| CB | CA | C | HA | 120.1° | 120.0° |
| CB | CA | N | HA | 120.0° | 120.0° |
| CA | CB | C4 | H31 | 120.0° | 119.9° |
| CA | CB | C4 | H32 | 120.0° | 120.0° |
| CA | CB | H31 | H32 | 120.2° | 120.0° |
| CA | CB | C4 | C5 | 175.5° | 180.0° |
| CA | CB | C4 | H41 | 64.5° | 60.1° |
| CA | CB | C4 | H42 | 55.5° | 60.0° |
| CB | CA | C | O | 97.9° | 100.0° |
| CB | CA | C | OXT | 82.2° | 79.9° |
| CB | CA | N | H | 180.0° | 60.0° |
| CB | CA | N | H2 | 60.0° | 63.9° |
| C | CA | N | HA | 119.8° | 119.9° |
| C | CA | CB | C4 | 51.7° | 175.0° |
| C | CA | CB | H31 | 171.7° | 65.0° |
| C | CA | CB | H32 | 68.3° | 55.0° |
| CA | C | O | OXT | 179.9° | 179.9° |
| CA | C | OXT | HXT | 179.9° | 180.0° |
| C | CA | N | H | 59.9° | 60.0° |
| C | CA | N | H2 | 60.1° | 176.1° |
| N | CA | CB | C4 | 173.5° | 65.0° |
| N | CA | CB | H31 | 66.4° | 55.0° |
| N | CA | CB | H32 | 53.6° | 175.0° |
| N | CA | C | O | 140.4° | 20.1° |
| N | CA | C | OXT | 39.5° | 160.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| HA | CA | CB | C4 | 68.2° | 55.1° |
| HA | CA | CB | H31 | 51.8° | 175.0° |
| HA | CA | CB | H32 | 171.8° | 65.0° |
| HA | CA | C | O | 22.2° | 140.0° |
| HA | CA | C | OXT | 157.7° | 40.0° |
| HA | CA | N | H | 59.9° | 180.0° |
| HA | CA | N | H2 | 180.0° | 56.1° |
| C4 | CB | H31 | H32 | 120.2° | 120.1° |
| CB | C4 | C5 | H41 | 120.0° | 119.9° |
| CB | C4 | C5 | H42 | 120.0° | 120.0° |
| CB | C4 | H41 | H42 | 119.3° | 120.0° |
| CB | C4 | C5 | C6 | 176.4° | 180.0° |
| CB | C4 | C5 | H51 | 56.4° | 60.0° |
| CB | C4 | C5 | H52 | 63.6° | 60.0° |
| H31 | CB | C4 | C5 | 55.5° | 60.1° |
| H31 | CB | C4 | H41 | 175.5° | 180.0° |
| H31 | CB | C4 | H42 | 64.5° | 59.9° |
| H32 | CB | C4 | C5 | 64.5° | 60.0° |
| H32 | CB | C4 | H41 | 55.5° | 59.9° |
| H32 | CB | C4 | H42 | 175.5° | 180.0° |
| C5 | C4 | H41 | H42 | 119.3° | 120.0° |
| C4 | C5 | C6 | H51 | 120.0° | 120.0° |
| C4 | C5 | C6 | H52 | 120.0° | 120.0° |
| C4 | C5 | H51 | H52 | 117.7° | 120.0° |
| C4 | C5 | C6 | C7 | 175.5° | 180.0° |
| C4 | C5 | C6 | H61 | 64.5° | 60.0° |
| C4 | C5 | C6 | H62 | 55.4° | 60.0° |
| H41 | C4 | C5 | C6 | 63.6° | 60.0° |
| H41 | C4 | C5 | H51 | 176.4° | 180.0° |
| H41 | C4 | C5 | H52 | 56.4° | 60.0° |
| H42 | C4 | C5 | C6 | 56.4° | 60.0° |
| H42 | C4 | C5 | H51 | 63.6° | 60.0° |
| H42 | C4 | C5 | H52 | 176.4° | 180.0° |
| C6 | C5 | H51 | H52 | 117.8° | 120.0° |
| C5 | C6 | C7 | H61 | 120.0° | 120.0° |
| C5 | C6 | C7 | H62 | 120.0° | 120.0° |
| C5 | C6 | H61 | H62 | 116.7° | 120.0° |
| C5 | C6 | C7 | O71 | 153.5° | 0.0° |
| C5 | C6 | C7 | O72 | 28.8° | 180.0° |
| H51 | C5 | C6 | C7 | 55.5° | 60.0° |
| H51 | C5 | C6 | H61 | 175.5° | 180.0° |
| H51 | C5 | C6 | H62 | 64.6° | 60.0° |
| H52 | C5 | C6 | C7 | 64.5° | 60.0° |
| H52 | C5 | C6 | H61 | 55.5° | 60.0° |
| H52 | C5 | C6 | H62 | 175.4° | 180.0° |
| C7 | C6 | H61 | H62 | 116.7° | 120.0° |
| C6 | C7 | O71 | O72 | 178.0° | 180.0° |
| C6 | C7 | O72 | HO | 177.9° | 180.0° |
| H61 | C6 | C7 | O71 | 86.5° | 120.0° |
| H61 | C6 | C7 | O72 | 91.2° | 60.0° |
| H62 | C6 | C7 | O71 | 33.5° | 120.0° |
| H62 | C6 | C7 | O72 | 148.8° | 60.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| O71 | C7 | O72 | HO | 0.0° | 0.0° |
