AFS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CB1 | CA1 | sing | 1.53Å | 1.49Å | |
| CA1 | N1 | sing | 1.47Å | 1.44Å | |
| CA1 | C1 | sing | 1.51Å | 1.49Å | |
| O23 | P | doub | 1.48Å | 1.50Å | |
| N2 | C1 | sing | 1.35Å | 1.43Å | |
| N2 | CA2 | sing | 1.47Å | 1.43Å | |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| P | O22 | sing | 1.61Å | 1.50Å | |
| P | CA2 | sing | 1.82Å | 1.83Å | |
| P | O21 | sing | 1.61Å | 1.50Å | |
| CA2 | CB2 | sing | 1.53Å | 1.49Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| CA1 | H4 | sing | 1.09Å | 1.10Å | |
| CB1 | H5 | sing | 1.09Å | 1.10Å | |
| CB1 | H6 | sing | 1.09Å | 1.10Å | |
| CB1 | H7 | sing | 1.09Å | 1.10Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| CA2 | H9 | sing | 1.09Å | 1.10Å | |
| CB2 | H10 | sing | 1.09Å | 1.10Å | |
| CB2 | H11 | sing | 1.09Å | 1.10Å | |
| CB2 | H12 | sing | 1.09Å | 1.10Å | |
| O21 | H13 | sing | 0.97Å | 0.95Å | |
| O22 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CB1 | CA1 | N1 | 110.2° | 109.4° |
| CB1 | CA1 | C1 | 109.4° | 109.5° |
| CB1 | CA1 | H4 | 109.1° | 109.4° |
| CA1 | CB1 | H5 | 109.5° | 109.5° |
| CA1 | CB1 | H6 | 109.5° | 109.4° |
| CA1 | CB1 | H7 | 109.5° | 109.5° |
| N1 | CA1 | C1 | 109.2° | 109.5° |
| CA1 | N1 | H1 | 109.5° | 111.0° |
| CA1 | N1 | H2 | 109.5° | 110.9° |
| N1 | CA1 | H4 | 109.8° | 109.5° |
| CA1 | C1 | N2 | 119.7° | 120.0° |
| CA1 | C1 | O1 | 120.0° | 120.0° |
| C1 | CA1 | H4 | 109.1° | 109.5° |
| O23 | P | O22 | 104.6° | 109.5° |
| O23 | P | CA2 | 114.1° | 109.5° |
| O23 | P | O21 | 104.5° | 109.5° |
| C1 | N2 | CA2 | 120.1° | 120.0° |
| N2 | C1 | O1 | 120.3° | 120.0° |
| C1 | N2 | H8 | 120.0° | 120.0° |
| N2 | CA2 | P | 110.0° | 109.4° |
| N2 | CA2 | CB2 | 109.8° | 109.5° |
| CA2 | N2 | H8 | 119.9° | 120.0° |
| N2 | CA2 | H9 | 111.0° | 109.5° |
| O22 | P | CA2 | 114.5° | 109.5° |
| O22 | P | O21 | 104.0° | 109.5° |
| P | O22 | H14 | 109.5° | 114.0° |
| CA2 | P | O21 | 114.0° | 109.4° |
| P | CA2 | CB2 | 109.6° | 109.4° |
| P | CA2 | H9 | 106.3° | 109.5° |
| P | O21 | H13 | 109.5° | 114.0° |
| CB2 | CA2 | H9 | 110.1° | 109.5° |
| CA2 | CB2 | H10 | 109.5° | 109.4° |
| CA2 | CB2 | H11 | 109.5° | 109.5° |
| CA2 | CB2 | H12 | 109.5° | 109.5° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| H5 | CB1 | H6 | 109.5° | 109.4° |
| H5 | CB1 | H7 | 109.4° | 109.5° |
| H6 | CB1 | H7 | 109.4° | 109.5° |
| H10 | CB2 | H11 | 109.5° | 109.4° |
| H10 | CB2 | H12 | 109.5° | 109.5° |
| H11 | CB2 | H12 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CB1 | CA1 | N1 | C1 | 120.2° | 120.0° |
| CB1 | CA1 | N1 | H4 | 120.2° | 119.9° |
| CB1 | CA1 | C1 | H4 | 119.3° | 120.0° |
| CB1 | CA1 | C1 | N2 | 104.3° | 60.0° |
| CB1 | CA1 | C1 | O1 | 75.6° | 120.0° |
| CB1 | CA1 | N1 | H1 | 180.0° | 60.0° |
| CB1 | CA1 | N1 | H2 | 60.0° | 176.1° |
| CA1 | CB1 | H5 | H6 | 120.0° | 119.9° |
| CA1 | CB1 | H5 | H7 | 120.0° | 120.1° |
| CA1 | CB1 | H6 | H7 | 120.0° | 120.1° |
| N1 | CA1 | C1 | H4 | 120.0° | 120.0° |
| N1 | CA1 | C1 | N2 | 135.0° | 180.0° |
| N1 | CA1 | C1 | O1 | 45.1° | 0.0° |
| CA1 | N1 | H1 | H2 | 120.0° | 123.9° |
| N1 | CA1 | CB1 | H5 | 180.0° | 60.1° |
| N1 | CA1 | CB1 | H6 | 60.0° | 180.0° |
| N1 | CA1 | CB1 | H7 | 60.0° | 60.0° |
| CA1 | C1 | N2 | O1 | 180.0° | 180.0° |
| CA1 | C1 | N2 | CA2 | 179.9° | 180.0° |
| C1 | CA1 | N1 | H1 | 59.8° | 180.0° |
| C1 | CA1 | N1 | H2 | 60.2° | 56.1° |
| C1 | CA1 | CB1 | H5 | 59.9° | 60.0° |
| C1 | CA1 | CB1 | H6 | 179.9° | 59.9° |
| C1 | CA1 | CB1 | H7 | 60.1° | 180.0° |
| CA1 | C1 | N2 | H8 | 0.1° | 0.0° |
| O23 | P | CA2 | N2 | 33.0° | 65.0° |
| O23 | P | O22 | CA2 | 125.6° | 120.0° |
| O23 | P | O22 | O21 | 109.3° | 120.0° |
| O23 | P | CA2 | O21 | 119.9° | 120.0° |
| O23 | P | CA2 | CB2 | 87.8° | 175.0° |
| O23 | P | CA2 | H9 | 153.3° | 55.0° |
| O23 | P | O21 | H13 | 0.0° | 60.0° |
| O23 | P | O22 | H14 | 0.0° | 180.0° |
| C1 | N2 | CA2 | H8 | 180.0° | 179.9° |
| C1 | N2 | CA2 | P | 88.7° | 105.0° |
| C1 | N2 | CA2 | CB2 | 150.6° | 135.0° |
| N2 | C1 | CA1 | H4 | 14.9° | 60.0° |
| C1 | N2 | CA2 | H9 | 28.7° | 14.9° |
| CA2 | N2 | C1 | O1 | 0.2° | 0.0° |
| N2 | CA2 | P | O22 | 87.5° | 55.0° |
| N2 | CA2 | P | CB2 | 120.8° | 120.0° |
| N2 | CA2 | P | H9 | 120.3° | 120.0° |
| N2 | CA2 | P | O21 | 152.9° | 175.0° |
| N2 | CA2 | CB2 | H9 | 122.5° | 120.1° |
| N2 | CA2 | CB2 | H10 | 180.0° | 60.0° |
| N2 | CA2 | CB2 | H11 | 60.0° | 59.9° |
| N2 | CA2 | CB2 | H12 | 60.0° | 180.0° |
| O1 | C1 | CA1 | H4 | 165.1° | 120.0° |
| O1 | C1 | N2 | H8 | 179.8° | 180.0° |
| O22 | P | CA2 | O21 | 119.6° | 120.0° |
| O22 | P | CA2 | CB2 | 151.7° | 65.0° |
| O22 | P | CA2 | H9 | 32.8° | 175.0° |
| O22 | P | O21 | H13 | 109.4° | 60.0° |
| P | CA2 | CB2 | H9 | 116.6° | 120.0° |
| P | CA2 | N2 | H8 | 91.3° | 75.0° |
| P | CA2 | CB2 | H10 | 59.1° | 180.0° |
| P | CA2 | CB2 | H11 | 179.2° | 60.0° |
| P | CA2 | CB2 | H12 | 60.9° | 60.0° |
| CA2 | P | O21 | H13 | 125.3° | 180.0° |
| CA2 | P | O22 | H14 | 125.6° | 60.0° |
| O21 | P | CA2 | CB2 | 32.2° | 55.0° |
| O21 | P | CA2 | H9 | 86.8° | 65.0° |
| O21 | P | O22 | H14 | 109.3° | 60.0° |
| CB2 | CA2 | N2 | H8 | 29.4° | 44.9° |
| CA2 | CB2 | H10 | H11 | 120.0° | 120.0° |
| CA2 | CB2 | H10 | H12 | 120.0° | 120.0° |
| CA2 | CB2 | H11 | H12 | 120.0° | 120.0° |
| H1 | N1 | CA1 | H4 | 59.7° | 59.9° |
| H2 | N1 | CA1 | H4 | 179.8° | 64.0° |
| H4 | CA1 | CB1 | H5 | 59.4° | 180.0° |
| H4 | CA1 | CB1 | H6 | 60.7° | 60.1° |
| H4 | CA1 | CB1 | H7 | 179.4° | 60.0° |
| H5 | CB1 | H6 | H7 | 120.0° | 120.0° |
| H8 | N2 | CA2 | H9 | 151.3° | 165.0° |
| H9 | CA2 | CB2 | H10 | 57.5° | 60.0° |
| H9 | CA2 | CB2 | H11 | 62.6° | 180.0° |
| H9 | CA2 | CB2 | H12 | 177.5° | 60.0° |
| H10 | CB2 | H11 | H12 | 120.0° | 120.0° |
