BAF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C1 | sing | 1.35Å | 1.38Å | |
| N3 | CA1 | sing | 1.46Å | 1.49Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C1 | O1 | doub | 1.21Å | 1.19Å | |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| CA1 | CB1 | sing | 1.53Å | 1.55Å | |
| CA1 | N1 | sing | 1.47Å | 1.48Å | |
| CA1 | HA1 | sing | 1.09Å | 1.12Å | |
| CB1 | HB11 | sing | 1.09Å | 1.11Å | |
| CB1 | HB12 | sing | 1.09Å | 1.11Å | |
| CB1 | HB13 | sing | 1.09Å | 1.12Å | |
| N1 | C2 | sing | 1.35Å | 1.33Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C2 | O2 | doub | 1.21Å | 1.20Å | |
| C2 | CA2 | sing | 1.51Å | 1.54Å | |
| CA2 | CB2 | sing | 1.53Å | 1.51Å | |
| CA2 | N2 | sing | 1.46Å | 1.46Å | |
| CA2 | HA2 | sing | 1.09Å | 1.12Å | |
| CB2 | HB21 | sing | 1.09Å | 1.11Å | |
| CB2 | HB22 | sing | 1.09Å | 1.11Å | |
| CB2 | HB23 | sing | 1.09Å | 1.11Å | |
| N2 | C3 | sing | 1.35Å | 1.35Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C3 | O3 | doub | 1.22Å | 1.20Å | |
| C3 | O4 | sing | 1.35Å | 1.46Å | |
| O4 | C4 | sing | 1.45Å | 1.45Å | |
| C4 | C41 | sing | 1.53Å | 1.54Å | |
| C4 | C42 | sing | 1.53Å | 1.53Å | |
| C4 | C43 | sing | 1.53Å | 1.52Å | |
| C41 | H411 | sing | 1.09Å | 1.12Å | |
| C41 | H412 | sing | 1.09Å | 1.11Å | |
| C41 | H413 | sing | 1.09Å | 1.11Å | |
| C42 | H421 | sing | 1.09Å | 1.12Å | |
| C42 | H422 | sing | 1.09Å | 1.12Å | |
| C42 | H423 | sing | 1.09Å | 1.11Å | |
| C43 | H431 | sing | 1.09Å | 1.12Å | |
| C43 | H432 | sing | 1.09Å | 1.11Å | |
| C43 | H433 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N3 | CA1 | 121.7° | 120.0° |
| C1 | N3 | HN3 | 115.3° | 120.0° |
| N3 | C1 | O1 | 116.4° | 120.0° |
| N3 | C1 | H1 | 128.7° | 120.0° |
| CA1 | N3 | HN3 | 123.0° | 120.1° |
| N3 | CA1 | CB1 | 111.6° | 109.4° |
| N3 | CA1 | N1 | 123.1° | 109.5° |
| N3 | CA1 | HA1 | 96.1° | 109.5° |
| O1 | C1 | H1 | 114.9° | 120.0° |
| CB1 | CA1 | N1 | 105.0° | 109.4° |
| CB1 | CA1 | HA1 | 117.5° | 109.5° |
| CA1 | CB1 | HB11 | 111.6° | 109.5° |
| CA1 | CB1 | HB12 | 111.4° | 109.5° |
| CA1 | CB1 | HB13 | 111.4° | 109.5° |
| N1 | CA1 | HA1 | 104.0° | 109.5° |
| CA1 | N1 | C2 | 117.3° | 120.0° |
| CA1 | N1 | HN1 | 126.2° | 120.0° |
| HB11 | CB1 | HB12 | 111.4° | 109.4° |
| HB11 | CB1 | HB13 | 111.4° | 109.5° |
| HB12 | CB1 | HB13 | 99.0° | 109.4° |
| C2 | N1 | HN1 | 116.6° | 120.1° |
| N1 | C2 | O2 | 121.4° | 120.0° |
| N1 | C2 | CA2 | 121.4° | 120.0° |
| O2 | C2 | CA2 | 117.1° | 120.0° |
| C2 | CA2 | CB2 | 112.5° | 109.4° |
| C2 | CA2 | N2 | 118.5° | 109.5° |
| C2 | CA2 | HA2 | 99.3° | 109.5° |
| CB2 | CA2 | N2 | 105.4° | 109.5° |
| CB2 | CA2 | HA2 | 114.0° | 109.4° |
| CA2 | CB2 | HB21 | 112.5° | 109.4° |
| CA2 | CB2 | HB22 | 111.1° | 109.4° |
| CA2 | CB2 | HB23 | 111.0° | 109.5° |
| N2 | CA2 | HA2 | 107.3° | 109.5° |
| CA2 | N2 | C3 | 112.4° | 120.0° |
| CA2 | N2 | HN2 | 127.0° | 120.0° |
| HB21 | CB2 | HB22 | 111.1° | 109.5° |
| HB21 | CB2 | HB23 | 111.2° | 109.5° |
| HB22 | CB2 | HB23 | 99.3° | 109.5° |
| C3 | N2 | HN2 | 120.5° | 120.0° |
| N2 | C3 | O3 | 122.0° | 120.0° |
| N2 | C3 | O4 | 120.8° | 120.0° |
| O3 | C3 | O4 | 115.1° | 120.0° |
| C3 | O4 | C4 | 121.7° | 120.0° |
| O4 | C4 | C41 | 114.5° | 109.5° |
| O4 | C4 | C42 | 108.7° | 109.5° |
| O4 | C4 | C43 | 106.5° | 109.5° |
| C41 | C4 | C42 | 108.3° | 109.5° |
| C41 | C4 | C43 | 107.7° | 109.4° |
| C4 | C41 | H411 | 114.5° | 109.5° |
| C4 | C41 | H412 | 110.4° | 109.5° |
| C4 | C41 | H413 | 110.4° | 109.5° |
| C42 | C4 | C43 | 111.2° | 109.5° |
| C4 | C42 | H421 | 108.7° | 109.5° |
| C4 | C42 | H422 | 112.5° | 109.5° |
| C4 | C42 | H423 | 112.5° | 109.5° |
| C4 | C43 | H431 | 106.5° | 109.5° |
| C4 | C43 | H432 | 113.4° | 109.4° |
| C4 | C43 | H433 | 113.4° | 109.4° |
| H411 | C41 | H412 | 110.3° | 109.5° |
| H411 | C41 | H413 | 110.3° | 109.5° |
| H412 | C41 | H413 | 99.9° | 109.4° |
| H421 | C42 | H422 | 112.5° | 109.4° |
| H421 | C42 | H423 | 112.5° | 109.4° |
| H422 | C42 | H423 | 98.0° | 109.5° |
| H431 | C43 | H432 | 113.3° | 109.5° |
| H431 | C43 | H433 | 113.3° | 109.5° |
| H432 | C43 | H433 | 97.2° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N3 | CA1 | HN3 | 180.0° | 180.0° |
| N3 | C1 | O1 | H1 | 180.0° | 180.0° |
| C1 | N3 | CA1 | CB1 | 54.7° | 150.0° |
| C1 | N3 | CA1 | N1 | 71.5° | 90.0° |
| C1 | N3 | CA1 | HA1 | 177.4° | 30.1° |
| CA1 | N3 | C1 | O1 | 40.4° | 0.0° |
| CA1 | N3 | C1 | H1 | 139.7° | 180.0° |
| N3 | CA1 | CB1 | N1 | 135.6° | 120.0° |
| N3 | CA1 | CB1 | HA1 | 109.5° | 120.0° |
| N3 | CA1 | N1 | HA1 | 107.0° | 120.1° |
| N3 | CA1 | CB1 | HB11 | 180.0° | 59.9° |
| N3 | CA1 | CB1 | HB12 | 54.7° | 60.0° |
| N3 | CA1 | CB1 | HB13 | 54.7° | 180.0° |
| N3 | CA1 | N1 | C2 | 95.8° | 90.0° |
| N3 | CA1 | N1 | HN1 | 84.3° | 90.0° |
| HN3 | N3 | C1 | O1 | 139.7° | 180.0° |
| HN3 | N3 | C1 | H1 | 40.3° | 0.0° |
| HN3 | N3 | CA1 | CB1 | 125.3° | 30.0° |
| HN3 | N3 | CA1 | N1 | 108.5° | 90.0° |
| HN3 | N3 | CA1 | HA1 | 2.6° | 150.0° |
| CB1 | CA1 | N1 | HA1 | 124.0° | 120.0° |
| CA1 | CB1 | HB11 | HB12 | 125.3° | 120.0° |
| CA1 | CB1 | HB11 | HB13 | 125.2° | 120.0° |
| CA1 | CB1 | HB12 | HB13 | 117.3° | 120.0° |
| CB1 | CA1 | N1 | C2 | 135.2° | 150.1° |
| CB1 | CA1 | N1 | HN1 | 44.8° | 30.0° |
| N1 | CA1 | CB1 | HB11 | 44.4° | 60.0° |
| N1 | CA1 | CB1 | HB12 | 80.8° | 180.0° |
| N1 | CA1 | CB1 | HB13 | 169.7° | 60.0° |
| CA1 | N1 | C2 | HN1 | 180.0° | 180.0° |
| CA1 | N1 | C2 | O2 | 1.6° | 0.1° |
| CA1 | N1 | C2 | CA2 | 179.5° | 180.0° |
| HA1 | CA1 | CB1 | HB11 | 70.5° | 180.0° |
| HA1 | CA1 | CB1 | HB12 | 164.3° | 60.0° |
| HA1 | CA1 | CB1 | HB13 | 54.8° | 59.9° |
| HA1 | CA1 | N1 | C2 | 11.2° | 30.1° |
| HA1 | CA1 | N1 | HN1 | 168.8° | 149.9° |
| HB11 | CB1 | HB12 | HB13 | 117.3° | 120.0° |
| N1 | C2 | O2 | CA2 | 178.0° | 179.8° |
| N1 | C2 | CA2 | CB2 | 33.3° | 60.1° |
| N1 | C2 | CA2 | N2 | 156.8° | 179.9° |
| N1 | C2 | CA2 | HA2 | 87.7° | 59.9° |
| HN1 | N1 | C2 | O2 | 178.4° | 179.9° |
| HN1 | N1 | C2 | CA2 | 0.5° | 0.1° |
| O2 | C2 | CA2 | CB2 | 148.7° | 120.1° |
| O2 | C2 | CA2 | N2 | 25.2° | 0.1° |
| O2 | C2 | CA2 | HA2 | 90.3° | 120.0° |
| C2 | CA2 | CB2 | N2 | 130.5° | 120.0° |
| C2 | CA2 | CB2 | HA2 | 112.1° | 120.0° |
| C2 | CA2 | N2 | HA2 | 111.2° | 120.1° |
| C2 | CA2 | CB2 | HB21 | 180.0° | 60.0° |
| C2 | CA2 | CB2 | HB22 | 54.8° | 60.0° |
| C2 | CA2 | CB2 | HB23 | 54.7° | 180.0° |
| C2 | CA2 | N2 | C3 | 141.6° | 150.0° |
| C2 | CA2 | N2 | HN2 | 38.4° | 30.0° |
| CB2 | CA2 | N2 | HA2 | 121.9° | 120.0° |
| CA2 | CB2 | HB21 | HB22 | 125.2° | 119.9° |
| CA2 | CB2 | HB21 | HB23 | 125.2° | 120.0° |
| CA2 | CB2 | HB22 | HB23 | 116.9° | 120.0° |
| CB2 | CA2 | N2 | C3 | 91.4° | 90.0° |
| CB2 | CA2 | N2 | HN2 | 88.6° | 90.0° |
| N2 | CA2 | CB2 | HB21 | 49.5° | 60.0° |
| N2 | CA2 | CB2 | HB22 | 75.8° | 180.0° |
| N2 | CA2 | CB2 | HB23 | 174.7° | 60.0° |
| CA2 | N2 | C3 | HN2 | 180.0° | 180.0° |
| CA2 | N2 | C3 | O3 | 3.5° | 0.0° |
| CA2 | N2 | C3 | O4 | 159.0° | 180.0° |
| HA2 | CA2 | CB2 | HB21 | 67.9° | 179.9° |
| HA2 | CA2 | CB2 | HB22 | 166.8° | 60.0° |
| HA2 | CA2 | CB2 | HB23 | 57.3° | 60.0° |
| HA2 | CA2 | N2 | C3 | 30.4° | 30.0° |
| HA2 | CA2 | N2 | HN2 | 149.5° | 150.0° |
| HB21 | CB2 | HB22 | HB23 | 117.1° | 120.1° |
| N2 | C3 | O3 | O4 | 163.5° | 179.9° |
| N2 | C3 | O4 | C4 | 84.7° | 180.0° |
| HN2 | N2 | C3 | O3 | 176.5° | 180.0° |
| HN2 | N2 | C3 | O4 | 21.0° | 0.0° |
| O3 | C3 | O4 | C4 | 111.7° | 0.0° |
| C3 | O4 | C4 | C41 | 21.3° | 180.0° |
| C3 | O4 | C4 | C42 | 100.0° | 60.0° |
| C3 | O4 | C4 | C43 | 140.2° | 60.0° |
| O4 | C4 | C41 | C42 | 121.5° | 120.0° |
| O4 | C4 | C41 | C43 | 118.2° | 120.0° |
| O4 | C4 | C42 | C43 | 116.9° | 120.0° |
| O4 | C4 | C41 | H411 | 180.0° | 180.0° |
| O4 | C4 | C41 | H412 | 54.8° | 60.0° |
| O4 | C4 | C41 | H413 | 54.8° | 59.9° |
| O4 | C4 | C42 | H421 | 180.0° | 60.0° |
| O4 | C4 | C42 | H422 | 54.8° | 60.0° |
| O4 | C4 | C42 | H423 | 54.7° | 180.0° |
| O4 | C4 | C43 | H431 | 180.0° | 59.9° |
| O4 | C4 | C43 | H432 | 54.8° | 180.0° |
| O4 | C4 | C43 | H433 | 54.8° | 60.1° |
| C41 | C4 | C42 | C43 | 118.1° | 119.9° |
| C4 | C41 | H411 | H412 | 125.3° | 120.0° |
| C4 | C41 | H411 | H413 | 125.3° | 120.0° |
| C4 | C41 | H412 | H413 | 116.2° | 119.9° |
| C41 | C4 | C42 | H421 | 55.0° | 60.0° |
| C41 | C4 | C42 | H422 | 70.2° | 180.0° |
| C41 | C4 | C42 | H423 | 179.8° | 59.9° |
| C41 | C4 | C43 | H431 | 56.7° | 60.0° |
| C41 | C4 | C43 | H432 | 178.0° | 60.0° |
| C41 | C4 | C43 | H433 | 68.5° | 179.9° |
| C42 | C4 | C41 | H411 | 58.5° | 60.0° |
| C42 | C4 | C41 | H412 | 176.3° | 180.0° |
| C42 | C4 | C41 | H413 | 66.7° | 60.1° |
| C4 | C42 | H421 | H422 | 125.2° | 120.0° |
| C4 | C42 | H421 | H423 | 125.3° | 120.0° |
| C4 | C42 | H422 | H423 | 118.5° | 120.1° |
| C42 | C4 | C43 | H431 | 61.8° | 180.0° |
| C42 | C4 | C43 | H432 | 63.5° | 59.9° |
| C42 | C4 | C43 | H433 | 173.0° | 60.0° |
| C43 | C4 | C41 | H411 | 61.8° | 60.0° |
| C43 | C4 | C41 | H412 | 63.4° | 60.0° |
| C43 | C4 | C41 | H413 | 172.9° | 179.9° |
| C43 | C4 | C42 | H421 | 63.1° | 180.0° |
| C43 | C4 | C42 | H422 | 171.7° | 60.0° |
| C43 | C4 | C42 | H423 | 62.1° | 60.0° |
| C4 | C43 | H431 | H432 | 125.3° | 120.0° |
| C4 | C43 | H431 | H433 | 125.3° | 120.0° |
| C4 | C43 | H432 | H433 | 119.3° | 119.9° |
| H411 | C41 | H412 | H413 | 116.2° | 120.1° |
| H421 | C42 | H422 | H423 | 118.4° | 119.9° |
| H431 | C43 | H432 | H433 | 119.2° | 120.0° |
