PRD_000618
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | CA | sing | 1.53Å | 1.54Å | |
| N | C8 | sing | 1.35Å | 1.38Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| O | C | sing | 1.43Å | 1.28Å | |
| C1 | N2 | sing | 1.47Å | 1.48Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| N1 | N2 | sing | 1.37Å | 1.41Å | |
| N1 | C4 | sing | 1.47Å | 1.49Å | |
| C2 | C1 | sing | 1.55Å | 1.53Å | |
| C2 | C3 | sing | 1.55Å | 1.56Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| N2 | C7 | sing | 1.35Å | 1.39Å | |
| O2 | C8 | doub | 1.21Å | 1.25Å | |
| C3 | N1 | sing | 1.48Å | 1.47Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| N3 | C6 | sing | 1.47Å | 1.50Å | |
| N3 | HN3 | sing | 1.01Å | 1.00Å | |
| N3 | HN3A | sing | 1.01Å | 1.00Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.52Å | 1.51Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | C9 | sing | 1.53Å | 1.55Å | |
| C7 | O1 | doub | 1.21Å | 1.22Å | |
| C7 | C6 | sing | 1.50Å | 1.55Å | |
| C8 | C1 | sing | 1.51Å | 1.52Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| CA | N | sing | 1.47Å | 1.49Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.49Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CD | NE | sing | 1.47Å | 1.43Å | |
| CD | HD | sing | 1.09Å | 1.10Å | |
| CD | HDA | sing | 1.09Å | 1.10Å | |
| NE | CZ | sing | 1.38Å | 1.30Å | |
| NE | HNE | sing | 0.97Å | 1.00Å | |
| CG | CD | sing | 1.53Å | 1.44Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CG | HGA | sing | 1.09Å | 1.10Å | |
| CZ | NH1 | doub | 1.30Å | 1.35Å | |
| CZ | NH2 | sing | 1.37Å | 1.34Å | |
| C10 | C11 | doub | 1.38Å | 1.42Å | Aromatic |
| C10 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C1X | C6X | sing | 1.38Å | 1.40Å | Aromatic |
| C1X | C7X | sing | 1.51Å | 1.57Å | |
| N1X | C9X | sing | 1.35Å | 1.46Å | |
| N1X | HN1X | sing | 0.97Å | 1.00Å | |
| C2X | C1X | doub | 1.38Å | 1.41Å | Aromatic |
| C2X | H2X | sing | 1.08Å | 1.08Å | |
| C3X | C2X | sing | 1.38Å | 1.41Å | Aromatic |
| C3X | C4X | doub | 1.38Å | 1.41Å | Aromatic |
| C3X | H3X | sing | 1.08Å | 1.08Å | |
| C4X | C5X | sing | 1.38Å | 1.42Å | Aromatic |
| C4X | H4X | sing | 1.08Å | 1.08Å | |
| C5X | C6X | doub | 1.38Å | 1.41Å | Aromatic |
| C5X | H5X | sing | 1.08Å | 1.08Å | |
| C6X | H6X | sing | 1.08Å | 1.08Å | |
| C7X | C8X | sing | 1.53Å | 1.58Å | |
| C7X | H7X | sing | 1.09Å | 1.10Å | |
| C7X | H7XA | sing | 1.09Å | 1.10Å | |
| C8X | N1X | sing | 1.46Å | 1.49Å | |
| C8X | H8X | sing | 1.09Å | 1.10Å | |
| C8X | H8XA | sing | 1.09Å | 1.10Å | |
| C9X | C | sing | 1.51Å | 1.53Å | |
| C9X | O1X | doub | 1.21Å | 1.19Å | |
| NH1 | HNH1 | sing | 0.97Å | 1.00Å | |
| NH2 | HNH2 | sing | 0.97Å | 1.00Å | |
| NH2 | HNHA | sing | 0.97Å | 1.00Å | |
| C | H41 | sing | 1.09Å | 1.10Å | |
| O | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | O | 124.5° | 109.5° |
| C | CA | N | 108.2° | 109.5° |
| C | CA | CB | 106.6° | 109.5° |
| C | CA | HA | 113.5° | 109.5° |
| CA | C | C9X | 112.0° | 109.5° |
| CA | C | H41 | 95.4° | 109.4° |
| C8 | N | HN | 118.0° | 120.1° |
| N | C8 | O2 | 119.5° | 120.0° |
| N | C8 | C1 | 126.1° | 120.0° |
| C8 | N | CA | 124.0° | 120.0° |
| HN | N | CA | 118.0° | 119.9° |
| O | C | C9X | 111.3° | 109.5° |
| O | C | H41 | 96.5° | 109.4° |
| C | O | H42 | 109.5° | 114.0° |
| N2 | C1 | H1 | 116.5° | 110.3° |
| C1 | N2 | N1 | 112.2° | 109.5° |
| N2 | C1 | C2 | 101.7° | 105.5° |
| C1 | N2 | C7 | 120.7° | 125.6° |
| N2 | C1 | C8 | 112.8° | 110.2° |
| H1 | C1 | C2 | 109.7° | 110.2° |
| H1 | C1 | C8 | 97.9° | 110.2° |
| N2 | N1 | C4 | 109.9° | 109.6° |
| N1 | N2 | C7 | 125.7° | 124.9° |
| N2 | N1 | C3 | 103.8° | 106.9° |
| C4 | N1 | C3 | 119.7° | 110.7° |
| N1 | C4 | C5 | 113.1° | 108.9° |
| N1 | C4 | H4 | 108.3° | 109.6° |
| N1 | C4 | H4A | 108.3° | 109.6° |
| C1 | C2 | C3 | 106.0° | 101.2° |
| C1 | C2 | H2 | 110.6° | 111.1° |
| C1 | C2 | H2A | 110.7° | 111.1° |
| C2 | C1 | C8 | 119.1° | 110.3° |
| C3 | C2 | H2 | 110.6° | 111.0° |
| C3 | C2 | H2A | 110.7° | 111.1° |
| C2 | C3 | N1 | 103.1° | 101.6° |
| C2 | C3 | H3 | 111.6° | 111.0° |
| C2 | C3 | H3A | 111.6° | 111.1° |
| H2 | C2 | H2A | 108.3° | 111.0° |
| N2 | C7 | O1 | 120.9° | 119.1° |
| N2 | C7 | C6 | 121.4° | 121.8° |
| O2 | C8 | C1 | 114.3° | 120.0° |
| N1 | C3 | H3 | 111.6° | 111.0° |
| N1 | C3 | H3A | 111.7° | 111.0° |
| H3 | C3 | H3A | 107.2° | 110.9° |
| C6 | N3 | HN3 | 109.5° | 111.0° |
| C6 | N3 | HN3A | 109.5° | 111.0° |
| N3 | C6 | C5 | 111.4° | 109.1° |
| N3 | C6 | C9 | 99.9° | 109.1° |
| N3 | C6 | C7 | 104.3° | 109.0° |
| HN3 | N3 | HN3A | 109.5° | 111.0° |
| C5 | C4 | H4 | 108.3° | 109.6° |
| C5 | C4 | H4A | 108.3° | 109.5° |
| C4 | C5 | C6 | 114.2° | 110.8° |
| C4 | C5 | H5 | 107.9° | 109.2° |
| C4 | C5 | H5A | 107.9° | 109.2° |
| H4 | C4 | H4A | 110.6° | 109.7° |
| C6 | C5 | H5 | 107.9° | 109.2° |
| C6 | C5 | H5A | 107.9° | 109.2° |
| C5 | C6 | C9 | 114.7° | 109.0° |
| C5 | C6 | C7 | 111.3° | 111.7° |
| H5 | C5 | H5A | 111.0° | 109.2° |
| C9 | C6 | C7 | 114.1° | 108.9° |
| C6 | C9 | C10 | 113.2° | 109.5° |
| C6 | C9 | H9 | 108.2° | 109.4° |
| C6 | C9 | H9A | 108.2° | 109.5° |
| O1 | C7 | C6 | 117.4° | 119.1° |
| C10 | C9 | H9 | 108.2° | 109.4° |
| C10 | C9 | H9A | 108.2° | 109.5° |
| C9 | C10 | C11 | 120.9° | 120.0° |
| C9 | C10 | C15 | 122.6° | 119.9° |
| H9 | C9 | H9A | 110.7° | 109.5° |
| N | CA | CB | 113.0° | 109.5° |
| N | CA | HA | 107.1° | 109.5° |
| CB | CA | HA | 108.7° | 109.4° |
| CA | CB | CG | 109.3° | 109.5° |
| CA | CB | HB | 109.5° | 109.5° |
| CA | CB | HBA | 109.5° | 109.5° |
| CG | CB | HB | 109.6° | 109.4° |
| CG | CB | HBA | 109.5° | 109.5° |
| CB | CG | CD | 117.6° | 109.5° |
| CB | CG | HG | 106.8° | 109.4° |
| CB | CG | HGA | 106.8° | 109.5° |
| HB | CB | HBA | 109.4° | 109.5° |
| NE | CD | HD | 108.1° | 109.5° |
| NE | CD | HDA | 108.1° | 109.5° |
| CD | NE | CZ | 128.1° | 120.0° |
| CD | NE | HNE | 115.9° | 120.0° |
| NE | CD | CG | 113.8° | 109.5° |
| HD | CD | HDA | 110.8° | 109.5° |
| HD | CD | CG | 108.1° | 109.5° |
| HDA | CD | CG | 108.1° | 109.5° |
| CZ | NE | HNE | 116.0° | 120.0° |
| NE | CZ | NH1 | 118.4° | 120.0° |
| NE | CZ | NH2 | 123.0° | 120.0° |
| CD | CG | HG | 106.9° | 109.4° |
| CD | CG | HGA | 106.8° | 109.5° |
| HG | CG | HGA | 112.0° | 109.4° |
| NH1 | CZ | NH2 | 118.4° | 120.0° |
| CZ | NH1 | HNH1 | 112.0° | 120.0° |
| CZ | NH2 | HNH2 | 120.0° | 120.0° |
| CZ | NH2 | HNHA | 120.0° | 120.0° |
| C11 | C10 | C15 | 116.5° | 120.0° |
| C10 | C11 | C12 | 120.5° | 120.0° |
| C10 | C11 | H11 | 119.8° | 120.0° |
| C10 | C15 | C14 | 121.8° | 120.0° |
| C10 | C15 | H15 | 119.1° | 120.0° |
| C12 | C11 | H11 | 119.7° | 120.0° |
| C11 | C12 | C13 | 122.2° | 120.0° |
| C11 | C12 | H12 | 118.9° | 119.9° |
| C13 | C12 | H12 | 118.9° | 120.1° |
| C12 | C13 | H13 | 121.2° | 120.0° |
| C12 | C13 | C14 | 117.7° | 120.0° |
| H13 | C13 | C14 | 121.1° | 120.0° |
| C13 | C14 | H14 | 119.5° | 120.0° |
| C13 | C14 | C15 | 120.9° | 120.0° |
| H14 | C14 | C15 | 119.6° | 120.0° |
| C14 | C15 | H15 | 119.1° | 120.0° |
| C6X | C1X | C7X | 117.9° | 120.0° |
| C6X | C1X | C2X | 122.0° | 120.1° |
| C1X | C6X | C5X | 119.5° | 119.9° |
| C1X | C6X | H6X | 120.2° | 120.0° |
| C7X | C1X | C2X | 119.9° | 119.9° |
| C1X | C7X | C8X | 102.8° | 109.5° |
| C1X | C7X | H7X | 111.7° | 109.5° |
| C1X | C7X | H7XA | 111.7° | 109.5° |
| C9X | N1X | HN1X | 124.1° | 120.0° |
| C9X | N1X | C8X | 111.8° | 120.0° |
| N1X | C9X | C | 110.4° | 120.0° |
| N1X | C9X | O1X | 128.4° | 120.0° |
| HN1X | N1X | C8X | 124.1° | 120.0° |
| C1X | C2X | H2X | 120.9° | 120.1° |
| C1X | C2X | C3X | 118.2° | 120.0° |
| H2X | C2X | C3X | 120.9° | 120.0° |
| C2X | C3X | C4X | 120.8° | 120.0° |
| C2X | C3X | H3X | 119.6° | 120.0° |
| C4X | C3X | H3X | 119.6° | 120.0° |
| C3X | C4X | C5X | 119.9° | 120.0° |
| C3X | C4X | H4X | 120.1° | 120.0° |
| C5X | C4X | H4X | 120.1° | 120.0° |
| C4X | C5X | C6X | 119.5° | 120.1° |
| C4X | C5X | H5X | 120.3° | 120.0° |
| C6X | C5X | H5X | 120.2° | 119.9° |
| C5X | C6X | H6X | 120.3° | 120.0° |
| C8X | C7X | H7X | 111.8° | 109.4° |
| C8X | C7X | H7XA | 111.8° | 109.4° |
| C7X | C8X | N1X | 108.6° | 109.5° |
| C7X | C8X | H8X | 109.8° | 109.4° |
| C7X | C8X | H8XA | 109.7° | 109.4° |
| H7X | C7X | H7XA | 107.1° | 109.5° |
| N1X | C8X | H8X | 109.7° | 109.5° |
| N1X | C8X | H8XA | 109.8° | 109.5° |
| H8X | C8X | H8XA | 109.1° | 109.5° |
| C | C9X | O1X | 121.2° | 120.0° |
| C9X | C | H41 | 114.8° | 109.5° |
| HNH2 | NH2 | HNHA | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | CA | N | C8 | 115.3° | 155.0° |
| C | CA | N | HN | 64.7° | 25.0° |
| CA | C | O | C9X | 139.0° | 120.1° |
| CA | C | O | H41 | 101.2° | 119.9° |
| C | CA | N | CB | 117.8° | 120.0° |
| C | CA | N | HA | 122.6° | 120.0° |
| C | CA | CB | HA | 122.6° | 120.0° |
| C | CA | CB | CG | 152.8° | 175.0° |
| C | CA | CB | HB | 87.2° | 65.1° |
| C | CA | CB | HBA | 32.8° | 55.0° |
| CA | C | C9X | N1X | 99.3° | 65.0° |
| CA | C | C9X | H41 | 107.4° | 120.0° |
| CA | C | C9X | O1X | 82.8° | 114.9° |
| CA | C | O | H42 | 180.0° | 60.0° |
| C8 | N | HN | CA | 180.0° | 179.9° |
| N | C8 | C1 | N2 | 149.0° | 180.0° |
| N | C8 | C1 | H1 | 25.9° | 58.1° |
| N | C8 | C1 | C2 | 92.0° | 63.9° |
| N | C8 | O2 | C1 | 177.6° | 180.0° |
| C8 | N | CA | CB | 127.0° | 85.0° |
| C8 | N | CA | HA | 7.3° | 35.0° |
| HN | N | C8 | O2 | 178.1° | 180.0° |
| HN | N | C8 | C1 | 4.6° | 0.0° |
| HN | N | CA | CB | 53.1° | 95.0° |
| HN | N | CA | HA | 172.7° | 145.1° |
| O | C | CA | N | 170.6° | 65.0° |
| O | C | CA | CB | 48.8° | 55.0° |
| O | C | CA | HA | 70.8° | 175.0° |
| O | C | C9X | N1X | 45.0° | 175.0° |
| O | C | C9X | H41 | 108.3° | 120.0° |
| O | C | C9X | O1X | 132.8° | 5.1° |
| N2 | C1 | H1 | C2 | 114.8° | 116.0° |
| N2 | C1 | H1 | C8 | 120.4° | 122.0° |
| C1 | N2 | N1 | C7 | 166.6° | 179.3° |
| C1 | N2 | N1 | C4 | 163.3° | 148.3° |
| N2 | C1 | C2 | C8 | 124.6° | 119.0° |
| N2 | C1 | C2 | C3 | 6.6° | 19.0° |
| N2 | C1 | C2 | H2 | 113.4° | 98.9° |
| N2 | C1 | C2 | H2A | 126.6° | 137.0° |
| N2 | C1 | C8 | O2 | 28.4° | 0.0° |
| C1 | N2 | N1 | C3 | 34.2° | 28.3° |
| C1 | N2 | C7 | O1 | 2.0° | 2.3° |
| C1 | N2 | C7 | C6 | 174.9° | 177.7° |
| H1 | C1 | N2 | N1 | 135.9° | 123.7° |
| H1 | C1 | C2 | C8 | 111.5° | 122.0° |
| H1 | C1 | C2 | C3 | 117.3° | 100.0° |
| H1 | C1 | C2 | H2 | 122.7° | 142.1° |
| H1 | C1 | C2 | H2A | 2.7° | 18.0° |
| H1 | C1 | N2 | C7 | 56.7° | 55.6° |
| H1 | C1 | C8 | O2 | 151.5° | 121.9° |
| N2 | N1 | C4 | C3 | 119.8° | 117.7° |
| N1 | N2 | C1 | C2 | 16.7° | 4.7° |
| N2 | N1 | C3 | C2 | 35.7° | 39.5° |
| N2 | N1 | C3 | H3 | 155.7° | 78.5° |
| N2 | N1 | C3 | H3A | 84.3° | 157.7° |
| N2 | N1 | C4 | C5 | 51.3° | 59.8° |
| N2 | N1 | C4 | H4 | 171.3° | 179.6° |
| N2 | N1 | C4 | H4A | 68.7° | 60.0° |
| N1 | N2 | C7 | O1 | 163.6° | 178.5° |
| N1 | N2 | C7 | C6 | 9.3° | 1.6° |
| N1 | N2 | C1 | C8 | 112.0° | 114.4° |
| C4 | N1 | C3 | C2 | 158.5° | 158.9° |
| C4 | N1 | N2 | C7 | 30.1° | 31.0° |
| C4 | N1 | C3 | H3 | 81.5° | 40.8° |
| C4 | N1 | C3 | H3A | 38.5° | 83.0° |
| N1 | C4 | C5 | H4 | 120.0° | 119.8° |
| N1 | C4 | C5 | H4A | 120.0° | 119.8° |
| N1 | C4 | H4 | H4A | 118.5° | 120.3° |
| N1 | C4 | C5 | C6 | 55.2° | 61.8° |
| N1 | C4 | C5 | H5 | 64.8° | 58.5° |
| N1 | C4 | C5 | H5A | 175.2° | 177.9° |
| C1 | C2 | C3 | H2 | 120.0° | 118.0° |
| C1 | C2 | C3 | H2A | 120.0° | 118.0° |
| C1 | C2 | H2 | H2A | 121.4° | 124.1° |
| C2 | C1 | N2 | C7 | 175.9° | 174.6° |
| C2 | C1 | C8 | O2 | 90.6° | 116.1° |
| C1 | C2 | C3 | N1 | 26.1° | 34.3° |
| C1 | C2 | C3 | H3 | 146.1° | 83.8° |
| C1 | C2 | C3 | H3A | 93.9° | 152.4° |
| C3 | C2 | H2 | H2A | 121.4° | 124.1° |
| C2 | C3 | N1 | H3 | 120.0° | 118.0° |
| C2 | C3 | N1 | H3A | 120.0° | 118.1° |
| C2 | C3 | H3 | H3A | 122.6° | 124.0° |
| C3 | C2 | C1 | C8 | 131.2° | 138.0° |
| H2 | C2 | C3 | N1 | 93.9° | 83.7° |
| H2 | C2 | C3 | H3 | 26.1° | 158.2° |
| H2 | C2 | C3 | H3A | 146.1° | 34.4° |
| H2 | C2 | C1 | C8 | 11.2° | 20.1° |
| H2A | C2 | C3 | N1 | 146.1° | 152.3° |
| H2A | C2 | C3 | H3 | 93.9° | 34.3° |
| H2A | C2 | C3 | H3A | 26.1° | 89.6° |
| H2A | C2 | C1 | C8 | 108.8° | 103.9° |
| C7 | N2 | N1 | C3 | 159.2° | 151.1° |
| N2 | C7 | C6 | N3 | 129.8° | 123.1° |
| N2 | C7 | C6 | C5 | 9.6° | 2.5° |
| N2 | C7 | C6 | C9 | 122.2° | 118.0° |
| N2 | C7 | O1 | C6 | 173.2° | 180.0° |
| C7 | N2 | C1 | C8 | 55.3° | 66.3° |
| O2 | C8 | N | CA | 1.9° | 0.0° |
| N1 | C3 | H3 | H3A | 122.6° | 123.9° |
| C3 | N1 | C4 | C5 | 171.1° | 177.5° |
| C3 | N1 | C4 | H4 | 68.9° | 62.7° |
| C3 | N1 | C4 | H4A | 51.1° | 57.7° |
| C6 | N3 | HN3 | HN3A | 120.0° | 123.9° |
| N3 | C6 | C5 | C4 | 147.5° | 152.5° |
| N3 | C6 | C5 | C9 | 112.6° | 119.0° |
| N3 | C6 | C5 | C7 | 116.0° | 120.6° |
| N3 | C6 | C5 | H5 | 27.5° | 32.1° |
| N3 | C6 | C5 | H5A | 92.5° | 87.2° |
| N3 | C6 | C9 | C7 | 110.7° | 118.9° |
| N3 | C6 | C7 | O1 | 43.4° | 57.0° |
| N3 | C6 | C9 | C10 | 172.1° | 54.9° |
| N3 | C6 | C9 | H9 | 68.0° | 65.0° |
| N3 | C6 | C9 | H9A | 52.1° | 175.0° |
| HN3 | N3 | C6 | C5 | 180.0° | 180.0° |
| HN3 | N3 | C6 | C9 | 58.4° | 61.0° |
| HN3 | N3 | C6 | C7 | 59.8° | 57.8° |
| HN3A | N3 | C6 | C5 | 60.0° | 56.1° |
| HN3A | N3 | C6 | C9 | 178.4° | 175.0° |
| HN3A | N3 | C6 | C7 | 60.2° | 66.1° |
| C5 | C4 | H4 | H4A | 118.5° | 120.3° |
| C4 | C5 | C6 | H5 | 120.0° | 120.3° |
| C4 | C5 | C6 | H5A | 120.0° | 120.3° |
| C4 | C5 | H5 | H5A | 118.1° | 119.4° |
| C4 | C5 | C6 | C9 | 99.9° | 88.5° |
| C4 | C5 | C6 | C7 | 31.6° | 31.9° |
| H4 | C4 | C5 | C6 | 175.2° | 178.4° |
| H4 | C4 | C5 | H5 | 55.2° | 61.3° |
| H4 | C4 | C5 | H5A | 64.8° | 58.1° |
| H4A | C4 | C5 | C6 | 64.8° | 58.0° |
| H4A | C4 | C5 | H5 | 175.2° | 178.4° |
| H4A | C4 | C5 | H5A | 55.2° | 62.3° |
| C6 | C5 | H5 | H5A | 118.0° | 119.4° |
| C5 | C6 | C9 | C7 | 130.1° | 122.1° |
| C5 | C6 | C7 | O1 | 163.6° | 177.5° |
| C5 | C6 | C9 | C10 | 52.9° | 173.9° |
| C5 | C6 | C9 | H9 | 172.8° | 54.0° |
| C5 | C6 | C9 | H9A | 67.1° | 66.0° |
| H5 | C5 | C6 | C9 | 140.1° | 151.1° |
| H5 | C5 | C6 | C7 | 88.4° | 88.4° |
| H5A | C5 | C6 | C9 | 20.1° | 31.8° |
| H5A | C5 | C6 | C7 | 151.6° | 152.3° |
| C9 | C6 | C7 | O1 | 64.6° | 62.0° |
| C6 | C9 | C10 | H9 | 120.0° | 119.9° |
| C6 | C9 | C10 | H9A | 120.0° | 120.1° |
| C6 | C9 | H9 | H9A | 118.5° | 120.0° |
| C6 | C9 | C10 | C11 | 88.0° | 89.9° |
| C6 | C9 | C10 | C15 | 92.5° | 90.3° |
| C7 | C6 | C9 | C10 | 77.3° | 64.0° |
| C7 | C6 | C9 | H9 | 42.7° | 176.1° |
| C7 | C6 | C9 | H9A | 162.8° | 56.1° |
| C1 | C8 | N | CA | 175.4° | 180.0° |
| C10 | C9 | H9 | H9A | 118.4° | 120.0° |
| C9 | C10 | C11 | C15 | 179.5° | 179.7° |
| C9 | C10 | C11 | C12 | 178.2° | 180.0° |
| C9 | C10 | C11 | H11 | 1.8° | 0.0° |
| C9 | C10 | C15 | C14 | 178.1° | 179.8° |
| C9 | C10 | C15 | H15 | 1.9° | 0.0° |
| H9 | C9 | C10 | C11 | 152.0° | 30.0° |
| H9 | C9 | C10 | C15 | 27.5° | 149.8° |
| H9A | C9 | C10 | C11 | 32.0° | 150.0° |
| H9A | C9 | C10 | C15 | 147.5° | 29.7° |
| N | CA | CB | HA | 118.7° | 119.9° |
| N | CA | CB | CG | 88.5° | 64.9° |
| N | CA | CB | HB | 31.5° | 55.0° |
| N | CA | CB | HBA | 151.5° | 175.0° |
| N | CA | C | C9X | 50.7° | 175.0° |
| N | CA | C | H41 | 68.8° | 54.9° |
| CA | CB | CG | HB | 120.0° | 120.0° |
| CA | CB | CG | HBA | 120.0° | 120.0° |
| CA | CB | HB | HBA | 120.0° | 120.1° |
| CA | CB | CG | CD | 174.9° | 180.0° |
| CA | CB | CG | HG | 65.1° | 60.0° |
| CA | CB | CG | HGA | 54.9° | 59.9° |
| CB | CA | C | C9X | 172.5° | 65.0° |
| CB | CA | C | H41 | 53.0° | 175.0° |
| HA | CA | CB | CG | 30.2° | 55.0° |
| HA | CA | CB | HB | 150.2° | 175.0° |
| HA | CA | CB | HBA | 89.8° | 65.0° |
| HA | CA | C | C9X | 68.0° | 54.9° |
| HA | CA | C | H41 | 172.5° | 65.1° |
| CG | CB | HB | HBA | 120.1° | 119.9° |
| CB | CG | CD | NE | 165.4° | 180.0° |
| CB | CG | CD | HD | 45.4° | 60.0° |
| CB | CG | CD | HDA | 74.6° | 60.0° |
| CB | CG | CD | HG | 120.0° | 120.0° |
| CB | CG | CD | HGA | 120.0° | 120.1° |
| CB | CG | HG | HGA | 116.6° | 120.0° |
| HB | CB | CG | CD | 54.9° | 60.0° |
| HB | CB | CG | HG | 174.9° | 180.0° |
| HB | CB | CG | HGA | 65.1° | 60.1° |
| HBA | CB | CG | CD | 65.1° | 60.0° |
| HBA | CB | CG | HG | 54.9° | 60.0° |
| HBA | CB | CG | HGA | 174.9° | 180.0° |
| NE | CD | HD | HDA | 118.2° | 120.1° |
| NE | CD | HD | CG | 123.5° | 120.0° |
| NE | CD | HDA | CG | 123.5° | 120.0° |
| CD | NE | CZ | HNE | 180.0° | 179.9° |
| NE | CD | CG | HG | 45.4° | 60.0° |
| NE | CD | CG | HGA | 74.6° | 60.0° |
| CD | NE | CZ | NH1 | 1.1° | 0.0° |
| CD | NE | CZ | NH2 | 174.4° | 180.0° |
| HD | CD | HDA | CG | 118.3° | 120.0° |
| HD | CD | NE | CZ | 61.8° | 60.1° |
| HD | CD | NE | HNE | 118.2° | 120.0° |
| HD | CD | CG | HG | 74.6° | 60.0° |
| HD | CD | CG | HGA | 165.4° | 180.0° |
| HDA | CD | NE | CZ | 58.2° | 60.0° |
| HDA | CD | NE | HNE | 121.8° | 119.9° |
| HDA | CD | CG | HG | 165.4° | 180.0° |
| HDA | CD | CG | HGA | 45.5° | 60.1° |
| CZ | NE | CD | CG | 178.2° | 180.0° |
| NE | CZ | NH1 | NH2 | 175.8° | 180.0° |
| NE | CZ | NH1 | HNH1 | 175.8° | 180.0° |
| NE | CZ | NH2 | HNH2 | 175.6° | 0.0° |
| NE | CZ | NH2 | HNHA | 4.4° | 180.0° |
| HNE | NE | CD | CG | 1.8° | 0.1° |
| HNE | NE | CZ | NH1 | 178.9° | 179.9° |
| HNE | NE | CZ | NH2 | 5.5° | 0.1° |
| CD | CG | HG | HGA | 116.7° | 120.0° |
| NH1 | CZ | NH2 | HNH2 | 0.0° | 180.0° |
| NH1 | CZ | NH2 | HNHA | 180.0° | 0.0° |
| NH2 | CZ | NH1 | HNH1 | 0.0° | 0.1° |
| CZ | NH2 | HNH2 | HNHA | 180.0° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 2.2° | 0.0° |
| C10 | C11 | C12 | H12 | 177.8° | 180.0° |
| C11 | C10 | C15 | C14 | 1.4° | 0.5° |
| C11 | C10 | C15 | H15 | 178.6° | 179.8° |
| C15 | C10 | C11 | C12 | 2.2° | 0.2° |
| C15 | C10 | C11 | H11 | 177.7° | 179.7° |
| C10 | C15 | C14 | C13 | 5.3° | 0.5° |
| C10 | C15 | C14 | H14 | 174.7° | 179.7° |
| C10 | C15 | C14 | H15 | 180.0° | 179.7° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | H13 | 178.3° | 180.0° |
| C11 | C12 | C13 | C14 | 1.6° | 0.0° |
| H11 | C11 | C12 | C13 | 177.8° | 180.0° |
| H11 | C11 | C12 | H12 | 2.2° | 0.0° |
| C12 | C13 | H13 | C14 | 180.0° | 180.0° |
| C12 | C13 | C14 | H14 | 174.7° | 179.9° |
| C12 | C13 | C14 | C15 | 5.3° | 0.2° |
| H12 | C12 | C13 | H13 | 1.7° | 0.0° |
| H12 | C12 | C13 | C14 | 178.4° | 180.0° |
| H13 | C13 | C14 | H14 | 5.3° | 0.1° |
| H13 | C13 | C14 | C15 | 174.7° | 179.8° |
| C13 | C14 | H14 | C15 | 180.0° | 179.8° |
| C13 | C14 | C15 | H15 | 174.7° | 179.8° |
| H14 | C14 | C15 | H15 | 5.3° | 0.1° |
| C6X | C1X | C7X | C2X | 175.5° | 179.7° |
| C6X | C1X | C2X | H2X | 176.0° | 180.0° |
| C6X | C1X | C2X | C3X | 4.0° | 0.0° |
| C1X | C6X | C5X | C4X | 0.2° | 0.1° |
| C1X | C6X | C5X | H6X | 180.0° | 179.7° |
| C1X | C6X | C5X | H5X | 179.8° | 180.0° |
| C6X | C1X | C7X | C8X | 16.2° | 90.0° |
| C6X | C1X | C7X | H7X | 103.9° | 150.0° |
| C6X | C1X | C7X | H7XA | 136.2° | 30.0° |
| C7X | C1X | C2X | H2X | 0.7° | 0.3° |
| C7X | C1X | C2X | C3X | 179.3° | 179.7° |
| C7X | C1X | C6X | C5X | 178.2° | 179.7° |
| C7X | C1X | C6X | H6X | 1.8° | 0.0° |
| C1X | C7X | C8X | H7X | 120.0° | 120.1° |
| C1X | C7X | C8X | H7XA | 120.0° | 120.0° |
| C1X | C7X | H7X | H7XA | 122.7° | 120.1° |
| C1X | C7X | C8X | N1X | 65.3° | 180.0° |
| C1X | C7X | C8X | H8X | 54.7° | 60.0° |
| C1X | C7X | C8X | H8XA | 174.6° | 60.0° |
| C9X | N1X | HN1X | C8X | 180.0° | 180.0° |
| C9X | N1X | C8X | C7X | 94.7° | 180.0° |
| C9X | N1X | C8X | H8X | 145.3° | 60.1° |
| C9X | N1X | C8X | H8XA | 25.3° | 60.0° |
| N1X | C9X | C | O1X | 177.9° | 179.9° |
| N1X | C9X | C | H41 | 153.3° | 55.1° |
| HN1X | N1X | C8X | C7X | 85.3° | 0.0° |
| HN1X | N1X | C8X | H8X | 34.7° | 120.0° |
| HN1X | N1X | C8X | H8XA | 154.7° | 119.9° |
| HN1X | N1X | C9X | C | 2.0° | 0.1° |
| HN1X | N1X | C9X | O1X | 175.7° | 180.0° |
| C1X | C2X | H2X | C3X | 180.0° | 179.9° |
| C1X | C2X | C3X | C4X | 2.3° | 0.0° |
| C1X | C2X | C3X | H3X | 177.7° | 179.9° |
| C2X | C1X | C6X | C5X | 2.8° | 0.0° |
| C2X | C1X | C6X | H6X | 177.2° | 179.7° |
| C2X | C1X | C7X | C8X | 159.4° | 89.7° |
| C2X | C1X | C7X | H7X | 80.6° | 30.3° |
| C2X | C1X | C7X | H7XA | 39.4° | 150.3° |
| H2X | C2X | C3X | C4X | 177.7° | 179.9° |
| H2X | C2X | C3X | H3X | 2.3° | 0.0° |
| C2X | C3X | C4X | H3X | 180.0° | 179.9° |
| C2X | C3X | C4X | C5X | 0.5° | 0.1° |
| C2X | C3X | C4X | H4X | 179.5° | 180.0° |
| C3X | C4X | C5X | H4X | 180.0° | 179.9° |
| C3X | C4X | C5X | C6X | 1.7° | 0.2° |
| C3X | C4X | C5X | H5X | 178.3° | 180.0° |
| H3X | C3X | C4X | C5X | 179.5° | 180.0° |
| H3X | C3X | C4X | H4X | 0.5° | 0.1° |
| C4X | C5X | C6X | H5X | 180.0° | 179.8° |
| C4X | C5X | C6X | H6X | 179.8° | 179.8° |
| H4X | C4X | C5X | C6X | 178.3° | 179.9° |
| H4X | C4X | C5X | H5X | 1.7° | 0.1° |
| H5X | C5X | C6X | H6X | 0.2° | 0.4° |
| C8X | C7X | H7X | H7XA | 122.7° | 119.9° |
| C7X | C8X | N1X | H8X | 120.0° | 120.0° |
| C7X | C8X | N1X | H8XA | 120.0° | 119.9° |
| C7X | C8X | H8X | H8XA | 120.3° | 119.9° |
| H7X | C7X | C8X | N1X | 174.7° | 60.0° |
| H7X | C7X | C8X | H8X | 65.3° | 60.1° |
| H7X | C7X | C8X | H8XA | 54.6° | 180.0° |
| H7XA | C7X | C8X | N1X | 54.6° | 60.0° |
| H7XA | C7X | C8X | H8X | 174.7° | 180.0° |
| H7XA | C7X | C8X | H8XA | 65.4° | 60.0° |
| N1X | C8X | H8X | H8XA | 120.3° | 120.1° |
| C8X | N1X | C9X | C | 178.0° | 180.0° |
| C8X | N1X | C9X | O1X | 4.3° | 0.1° |
| C9X | C | O | H42 | 40.9° | 60.1° |
| O1X | C9X | C | H41 | 24.6° | 125.0° |
| H41 | C | O | H42 | 78.8° | 179.9° |
