NTA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C6 | sing | 1.47Å | 1.53Å | |
| N | C10 | sing | 1.47Å | 1.55Å | |
| N | CA | sing | 1.47Å | 1.55Å | |
| C6 | C7 | sing | 1.51Å | 1.40Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C10 | C11 | sing | 1.51Å | 1.48Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| CA | C | sing | 1.51Å | 1.40Å | |
| CA | HA2 | sing | 1.09Å | 1.12Å | |
| CA | HA3 | sing | 1.09Å | 1.11Å | |
| C7 | O8 | sing | 1.34Å | 1.21Å | |
| C7 | O9 | doub | 1.21Å | 1.17Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| C | OXT | sing | 1.34Å | 1.18Å | |
| C | O | doub | 1.21Å | 1.20Å | |
| C11 | O12 | sing | 1.34Å | 1.25Å | |
| C11 | O13 | doub | 1.21Å | 1.19Å | |
| O12 | HO12 | 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) |
| C6 | N | C10 | 119.0° | 106.6° |
| C6 | N | CA | 115.3° | 106.7° |
| N | C6 | C7 | 114.3° | 109.4° |
| N | C6 | H61 | 110.5° | 109.5° |
| N | C6 | H62 | 110.5° | 109.5° |
| C10 | N | CA | 123.4° | 106.7° |
| N | C10 | C11 | 117.2° | 109.5° |
| N | C10 | H101 | 109.4° | 109.5° |
| N | C10 | H102 | 109.4° | 109.4° |
| N | CA | C | 110.7° | 109.5° |
| N | CA | HA2 | 111.7° | 109.5° |
| N | CA | HA3 | 111.7° | 109.5° |
| C7 | C6 | H61 | 110.5° | 109.5° |
| C7 | C6 | H62 | 110.4° | 109.4° |
| C6 | C7 | O8 | 118.7° | 120.1° |
| C6 | C7 | O9 | 112.3° | 120.0° |
| H61 | C6 | H62 | 99.8° | 109.5° |
| C11 | C10 | H101 | 109.4° | 109.5° |
| C11 | C10 | H102 | 109.4° | 109.5° |
| C10 | C11 | O12 | 118.0° | 120.0° |
| C10 | C11 | O13 | 112.7° | 120.0° |
| H101 | C10 | H102 | 100.7° | 109.5° |
| C | CA | HA2 | 111.8° | 109.4° |
| C | CA | HA3 | 111.8° | 109.5° |
| CA | C | OXT | 114.1° | 120.1° |
| CA | C | O | 118.2° | 119.9° |
| HA2 | CA | HA3 | 98.6° | 109.4° |
| O8 | C7 | O9 | 128.0° | 120.0° |
| C7 | O8 | HO8 | 118.6° | 120.0° |
| OXT | C | O | 127.7° | 120.0° |
| C | OXT | HXT | 114.1° | 120.0° |
| O12 | C11 | O13 | 129.0° | 120.0° |
| C11 | O12 | HO12 | 118.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | N | C10 | CA | 162.0° | 113.8° |
| N | C6 | C7 | H61 | 125.3° | 120.1° |
| N | C6 | C7 | H62 | 125.3° | 119.9° |
| N | C6 | H61 | H62 | 116.3° | 120.0° |
| C6 | N | C10 | C11 | 138.4° | 75.7° |
| C6 | N | C10 | H101 | 13.1° | 44.2° |
| C6 | N | C10 | H102 | 96.3° | 164.3° |
| C6 | N | CA | C | 115.8° | 162.2° |
| C6 | N | CA | HA2 | 118.9° | 77.8° |
| C6 | N | CA | HA3 | 9.5° | 42.2° |
| N | C6 | C7 | O8 | 16.8° | 180.0° |
| N | C6 | C7 | O9 | 174.0° | 0.1° |
| C10 | N | C6 | C7 | 115.3° | 179.9° |
| C10 | N | C6 | H61 | 119.5° | 60.0° |
| C10 | N | C6 | H62 | 10.0° | 60.0° |
| N | C10 | C11 | H101 | 125.3° | 120.0° |
| N | C10 | C11 | H102 | 125.3° | 120.0° |
| N | C10 | H101 | H102 | 115.2° | 120.0° |
| C10 | N | CA | C | 81.6° | 84.0° |
| C10 | N | CA | HA2 | 43.6° | 36.0° |
| C10 | N | CA | HA3 | 153.1° | 155.9° |
| N | C10 | C11 | O12 | 36.7° | 177.3° |
| N | C10 | C11 | O13 | 148.6° | 2.5° |
| CA | N | C6 | C7 | 81.3° | 66.2° |
| CA | N | C6 | H61 | 43.9° | 173.8° |
| CA | N | C6 | H62 | 153.4° | 53.7° |
| CA | N | C10 | C11 | 59.7° | 170.5° |
| CA | N | C10 | H101 | 175.1° | 69.5° |
| CA | N | C10 | H102 | 65.6° | 50.5° |
| N | CA | C | HA2 | 125.2° | 120.0° |
| N | CA | C | HA3 | 125.2° | 120.0° |
| N | CA | HA2 | HA3 | 117.6° | 120.0° |
| N | CA | C | OXT | 150.6° | 172.5° |
| N | CA | C | O | 28.6° | 7.6° |
| C7 | C6 | H61 | H62 | 116.3° | 120.0° |
| C6 | C7 | O8 | O9 | 167.3° | 179.9° |
| C6 | C7 | O8 | HO8 | 179.9° | 180.0° |
| H61 | C6 | C7 | O8 | 142.1° | 59.9° |
| H61 | C6 | C7 | O9 | 48.7° | 120.0° |
| H62 | C6 | C7 | O8 | 108.4° | 60.1° |
| H62 | C6 | C7 | O9 | 60.8° | 120.0° |
| C11 | C10 | H101 | H102 | 115.1° | 120.0° |
| C10 | C11 | O12 | O13 | 173.8° | 179.9° |
| C10 | C11 | O12 | HO12 | 179.9° | 180.0° |
| H101 | C10 | C11 | O12 | 88.6° | 62.7° |
| H101 | C10 | C11 | O13 | 86.1° | 117.4° |
| H102 | C10 | C11 | O12 | 162.0° | 57.4° |
| H102 | C10 | C11 | O13 | 23.3° | 122.5° |
| C | CA | HA2 | HA3 | 117.7° | 120.0° |
| CA | C | OXT | O | 179.1° | 179.9° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| HA2 | CA | C | OXT | 25.4° | 52.5° |
| HA2 | CA | C | O | 153.8° | 127.6° |
| HA3 | CA | C | OXT | 84.2° | 67.4° |
| HA3 | CA | C | O | 96.7° | 112.4° |
| O9 | C7 | O8 | HO8 | 12.7° | 0.1° |
| O | C | OXT | HXT | 0.9° | 0.1° |
| O13 | C11 | O12 | HO12 | 6.2° | 0.1° |
