ZXU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O60 | C57 | sing | 1.36Å | 1.38Å | |
| O40 | C34 | sing | 1.36Å | 1.34Å | |
| C57 | C56 | doub | 1.39Å | 1.40Å | Aromatic |
| C57 | C58 | sing | 1.40Å | 1.37Å | Aromatic |
| C34 | C33 | doub | 1.39Å | 1.37Å | Aromatic |
| C34 | C35 | sing | 1.39Å | 1.39Å | Aromatic |
| O61 | C58 | sing | 1.36Å | 1.35Å | |
| C33 | C11 | sing | 1.39Å | 1.37Å | Aromatic |
| C56 | C55 | sing | 1.38Å | 1.40Å | Aromatic |
| C58 | C59 | doub | 1.38Å | 1.38Å | Aromatic |
| O25 | C21 | sing | 1.36Å | 1.35Å | |
| C35 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | O7 | sing | 1.35Å | 1.37Å | |
| C11 | C12 | doub | 1.41Å | 1.38Å | Aromatic |
| O7 | C9 | sing | 1.34Å | 1.36Å | |
| C55 | C54 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C59 | C54 | sing | 1.40Å | 1.38Å | Aromatic |
| O26 | C22 | sing | 1.36Å | 1.37Å | |
| C22 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C36 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C36 | O39 | sing | 1.36Å | 1.35Å | |
| C54 | C43 | sing | 1.47Å | 1.48Å | |
| C12 | C7 | sing | 1.47Å | 1.47Å | |
| C19 | C9 | sing | 1.47Å | 1.48Å | |
| C19 | C24 | doub | 1.40Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.36Å | 1.47Å | |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.42Å | 1.47Å | |
| C7 | O38 | doub | 1.22Å | 1.25Å | |
| C43 | C42 | doub | 1.35Å | 1.35Å | |
| C8 | O37 | sing | 1.36Å | 1.37Å | |
| C42 | C41 | sing | 1.46Å | 1.49Å | |
| O37 | C4 | sing | 1.43Å | 1.40Å | |
| OH | CZ | sing | 1.36Å | 1.37Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| CE1 | CZ | doub | 1.39Å | 1.38Å | Aromatic |
| CE1 | CD1 | sing | 1.38Å | 1.39Å | Aromatic |
| C41 | N | sing | 1.35Å | 1.33Å | |
| C41 | O45 | doub | 1.22Å | 1.23Å | |
| CZ | CE2 | sing | 1.39Å | 1.40Å | Aromatic |
| N | CA | sing | 1.47Å | 1.45Å | |
| CD1 | CG | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| N1 | C | sing | 1.35Å | 1.34Å | |
| CE2 | CD2 | doub | 1.38Å | 1.41Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.52Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| C | OXT | doub | 1.21Å | 1.22Å | |
| N | H3 | sing | 0.97Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| OH | HH | sing | 0.97Å | 0.95Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| O25 | HO25 | sing | 0.97Å | 0.95Å | |
| O26 | HO26 | sing | 0.97Å | 0.95Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| O39 | HO39 | sing | 0.97Å | 0.95Å | |
| O40 | HO40 | sing | 0.97Å | 0.95Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C55 | H55 | sing | 1.08Å | 1.08Å | |
| C56 | H56 | sing | 1.08Å | 1.08Å | |
| C59 | H59 | sing | 1.08Å | 1.08Å | |
| O60 | HO60 | sing | 0.97Å | 0.95Å | |
| O61 | HO61 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O60 | C57 | C56 | 123.9° | 119.9° |
| O60 | C57 | C58 | 116.8° | 119.9° |
| C57 | O60 | HO60 | 109.5° | 114.0° |
| O40 | C34 | C33 | 120.7° | 119.7° |
| O40 | C34 | C35 | 117.2° | 119.7° |
| C34 | O40 | HO40 | 109.5° | 114.0° |
| C56 | C57 | C58 | 119.3° | 120.2° |
| C57 | C56 | C55 | 119.8° | 120.1° |
| C57 | C56 | H56 | 120.1° | 119.9° |
| C57 | C58 | O61 | 118.7° | 120.0° |
| C57 | C58 | C59 | 121.0° | 120.0° |
| C33 | C34 | C35 | 122.1° | 120.6° |
| C34 | C33 | C11 | 118.3° | 120.0° |
| C34 | C33 | H33 | 120.9° | 119.9° |
| C34 | C35 | C36 | 119.3° | 120.1° |
| C34 | C35 | H35 | 120.3° | 119.9° |
| O61 | C58 | C59 | 120.3° | 120.0° |
| C58 | O61 | HO61 | 109.5° | 114.0° |
| C33 | C11 | O7 | 117.2° | 120.7° |
| C33 | C11 | C12 | 120.9° | 119.4° |
| C11 | C33 | H33 | 120.9° | 120.0° |
| C56 | C55 | C54 | 119.9° | 120.0° |
| C56 | C55 | H55 | 120.0° | 119.9° |
| C55 | C56 | H56 | 120.1° | 119.9° |
| C58 | C59 | C54 | 120.3° | 119.8° |
| C58 | C59 | H59 | 119.9° | 120.1° |
| O25 | C21 | C20 | 120.6° | 120.0° |
| O25 | C21 | C22 | 119.8° | 120.0° |
| C21 | O25 | HO25 | 109.5° | 114.1° |
| C35 | C36 | C12 | 119.0° | 119.6° |
| C35 | C36 | O39 | 121.3° | 120.2° |
| C36 | C35 | H35 | 120.4° | 120.0° |
| O7 | C11 | C12 | 121.8° | 119.8° |
| C11 | O7 | C9 | 124.5° | 122.3° |
| C11 | C12 | C36 | 120.3° | 120.2° |
| C11 | C12 | C7 | 118.3° | 118.5° |
| O7 | C9 | C19 | 115.1° | 118.7° |
| O7 | C9 | C8 | 118.8° | 122.5° |
| C55 | C54 | C59 | 119.7° | 119.9° |
| C55 | C54 | C43 | 122.8° | 120.1° |
| C54 | C55 | H55 | 120.0° | 120.1° |
| C20 | C21 | C22 | 119.6° | 120.0° |
| C21 | C20 | C19 | 119.9° | 119.9° |
| C21 | C20 | H20 | 120.1° | 120.1° |
| C21 | C22 | O26 | 120.2° | 119.9° |
| C21 | C22 | C23 | 120.4° | 120.2° |
| C20 | C19 | C9 | 114.6° | 120.1° |
| C20 | C19 | C24 | 121.2° | 119.8° |
| C19 | C20 | H20 | 120.1° | 120.1° |
| C59 | C54 | C43 | 117.5° | 120.1° |
| C54 | C59 | H59 | 119.9° | 120.1° |
| O26 | C22 | C23 | 119.3° | 120.0° |
| C22 | O26 | HO26 | 109.5° | 114.0° |
| C22 | C23 | C24 | 120.1° | 120.2° |
| C22 | C23 | H23 | 120.0° | 119.9° |
| C12 | C36 | O39 | 119.7° | 120.2° |
| C36 | C12 | C7 | 121.4° | 121.3° |
| C36 | O39 | HO39 | 109.5° | 114.0° |
| C54 | C43 | C42 | 125.7° | 120.0° |
| C54 | C43 | H43 | 117.2° | 120.0° |
| C12 | C7 | C8 | 119.2° | 117.4° |
| C12 | C7 | O38 | 119.4° | 121.3° |
| C9 | C19 | C24 | 124.2° | 120.1° |
| C19 | C9 | C8 | 126.0° | 118.8° |
| C19 | C24 | C23 | 118.8° | 120.0° |
| C19 | C24 | H24 | 120.6° | 120.0° |
| C9 | C8 | C7 | 117.4° | 119.4° |
| C9 | C8 | O37 | 122.1° | 120.3° |
| C24 | C23 | H23 | 120.0° | 119.9° |
| C23 | C24 | H24 | 120.6° | 120.1° |
| C8 | C7 | O38 | 121.4° | 121.3° |
| C7 | C8 | O37 | 120.5° | 120.3° |
| C43 | C42 | C41 | 119.7° | 120.0° |
| C43 | C42 | H42 | 120.2° | 120.0° |
| C42 | C43 | H43 | 117.2° | 120.0° |
| C8 | O37 | C4 | 116.5° | 117.0° |
| C42 | C41 | N | 118.9° | 120.0° |
| C42 | C41 | O45 | 119.6° | 120.0° |
| C41 | C42 | H42 | 120.1° | 120.0° |
| O37 | C4 | C3 | 106.8° | 109.5° |
| O37 | C4 | H41 | 110.1° | 109.5° |
| O37 | C4 | H4 | 110.2° | 109.5° |
| OH | CZ | CE1 | 118.4° | 120.1° |
| OH | CZ | CE2 | 121.7° | 120.1° |
| CZ | OH | HH | 109.5° | 114.0° |
| C4 | C3 | C2 | 115.6° | 109.5° |
| C4 | C3 | H31 | 107.9° | 109.5° |
| C4 | C3 | H32 | 107.9° | 109.5° |
| C3 | C4 | H41 | 110.2° | 109.4° |
| C3 | C4 | H4 | 110.1° | 109.5° |
| CZ | CE1 | CD1 | 120.3° | 119.9° |
| CE1 | CZ | CE2 | 119.9° | 119.9° |
| CZ | CE1 | HE1 | 119.9° | 120.0° |
| CE1 | CD1 | CG | 121.2° | 120.1° |
| CE1 | CD1 | HD1 | 119.4° | 120.0° |
| CD1 | CE1 | HE1 | 119.8° | 120.1° |
| N | C41 | O45 | 121.4° | 120.0° |
| C41 | N | CA | 121.8° | 120.0° |
| C41 | N | H3 | 119.1° | 120.0° |
| CZ | CE2 | CD2 | 119.9° | 119.9° |
| CZ | CE2 | HE2 | 120.1° | 120.0° |
| N | CA | C | 113.3° | 109.5° |
| N | CA | CB | 113.2° | 109.5° |
| CA | N | H3 | 119.1° | 120.0° |
| N | CA | HA | 108.1° | 109.5° |
| CD1 | CG | CD2 | 118.9° | 120.1° |
| CD1 | CG | CB | 120.7° | 120.0° |
| CG | CD1 | HD1 | 119.4° | 119.9° |
| C3 | C2 | N1 | 109.0° | 109.5° |
| C3 | C2 | H21 | 109.6° | 109.5° |
| C3 | C2 | H2 | 109.6° | 109.5° |
| C2 | C3 | H31 | 107.9° | 109.5° |
| C2 | C3 | H32 | 107.9° | 109.5° |
| C2 | N1 | C | 123.8° | 120.0° |
| C2 | N1 | HN1 | 118.1° | 120.0° |
| N1 | C2 | H21 | 109.6° | 109.5° |
| N1 | C2 | H2 | 109.6° | 109.4° |
| N1 | C | CA | 117.1° | 120.0° |
| N1 | C | OXT | 123.2° | 120.0° |
| C | N1 | HN1 | 118.1° | 120.0° |
| CE2 | CD2 | CG | 119.8° | 120.1° |
| CD2 | CE2 | HE2 | 120.0° | 120.1° |
| CE2 | CD2 | HD2 | 120.1° | 119.9° |
| CD2 | CG | CB | 120.4° | 120.0° |
| CG | CD2 | HD2 | 120.1° | 120.0° |
| CG | CB | CA | 113.6° | 109.4° |
| CG | CB | HB2 | 108.4° | 109.5° |
| CG | CB | HB3 | 108.4° | 109.5° |
| C | CA | CB | 107.4° | 109.4° |
| CA | C | OXT | 119.7° | 120.0° |
| C | CA | HA | 107.4° | 109.5° |
| CB | CA | HA | 107.1° | 109.5° |
| CA | CB | HB2 | 108.4° | 109.5° |
| CA | CB | HB3 | 108.4° | 109.5° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| H21 | C2 | H2 | 109.5° | 109.4° |
| H31 | C3 | H32 | 109.5° | 109.4° |
| H41 | C4 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O60 | C57 | C56 | C58 | 179.3° | 179.9° |
| O60 | C57 | C58 | O61 | 1.9° | 0.1° |
| O60 | C57 | C56 | C55 | 179.1° | 180.0° |
| O60 | C57 | C58 | C59 | 179.8° | 179.8° |
| O60 | C57 | C56 | H56 | 0.9° | 0.0° |
| O40 | C34 | C33 | C35 | 179.6° | 180.0° |
| O40 | C34 | C33 | C11 | 178.7° | 180.0° |
| O40 | C34 | C35 | C36 | 178.4° | 179.6° |
| O40 | C34 | C33 | H33 | 1.3° | 0.0° |
| O40 | C34 | C35 | H35 | 1.6° | 0.0° |
| C56 | C57 | C58 | O61 | 178.7° | 180.0° |
| C57 | C56 | C55 | H56 | 180.0° | 180.0° |
| C56 | C57 | C58 | C59 | 0.5° | 0.1° |
| C57 | C56 | C55 | C54 | 0.9° | 0.0° |
| C57 | C56 | C55 | H55 | 179.1° | 179.9° |
| C56 | C57 | O60 | HO60 | 180.0° | 90.0° |
| C57 | C58 | O61 | C59 | 178.3° | 179.9° |
| C58 | C57 | C56 | C55 | 1.6° | 0.1° |
| C57 | C58 | C59 | C54 | 1.3° | 0.4° |
| C58 | C57 | C56 | H56 | 178.4° | 179.9° |
| C57 | C58 | C59 | H59 | 178.6° | 179.9° |
| C58 | C57 | O60 | HO60 | 0.6° | 90.0° |
| C57 | C58 | O61 | HO61 | 180.0° | 90.1° |
| C34 | C33 | C11 | H33 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 2.0° | 0.4° |
| C34 | C33 | C11 | O7 | 179.6° | 180.0° |
| C34 | C33 | C11 | C12 | 0.5° | 0.4° |
| C33 | C34 | C35 | H35 | 178.0° | 180.0° |
| C33 | C34 | O40 | HO40 | 180.0° | 90.0° |
| C35 | C34 | C33 | C11 | 1.7° | 0.1° |
| C34 | C35 | C36 | H35 | 180.0° | 179.6° |
| C34 | C35 | C36 | C12 | 1.2° | 0.5° |
| C34 | C35 | C36 | O39 | 178.9° | 180.0° |
| C35 | C34 | C33 | H33 | 178.3° | 180.0° |
| C35 | C34 | O40 | HO40 | 0.4° | 90.0° |
| O61 | C58 | C59 | C54 | 176.9° | 179.7° |
| O61 | C58 | C59 | H59 | 3.1° | 0.2° |
| C33 | C11 | O7 | C12 | 179.9° | 179.6° |
| C33 | C11 | O7 | C9 | 179.8° | 180.0° |
| C33 | C11 | C12 | C36 | 0.2° | 0.3° |
| C33 | C11 | C12 | C7 | 179.9° | 179.8° |
| C56 | C55 | C54 | H55 | 180.0° | 179.9° |
| C56 | C55 | C54 | C59 | 0.9° | 0.3° |
| C56 | C55 | C54 | C43 | 179.3° | 180.0° |
| C58 | C59 | C54 | C55 | 2.0° | 0.5° |
| C58 | C59 | C54 | H59 | 180.0° | 179.5° |
| C58 | C59 | C54 | C43 | 178.2° | 179.8° |
| C59 | C58 | O61 | HO61 | 1.7° | 89.8° |
| O25 | C21 | C20 | C22 | 179.5° | 180.0° |
| O25 | C21 | C20 | C19 | 179.6° | 179.9° |
| O25 | C21 | C22 | O26 | 0.4° | 0.1° |
| O25 | C21 | C22 | C23 | 179.6° | 180.0° |
| O25 | C21 | C20 | H20 | 0.4° | 0.1° |
| C35 | C36 | C12 | C11 | 0.1° | 0.2° |
| C35 | C36 | C12 | O39 | 179.9° | 179.5° |
| C35 | C36 | C12 | C7 | 179.6° | 179.4° |
| C35 | C36 | O39 | HO39 | 179.9° | 90.0° |
| O7 | C11 | C12 | C36 | 179.7° | 179.9° |
| O7 | C11 | C12 | C7 | 0.0° | 0.6° |
| C11 | O7 | C9 | C19 | 177.9° | 180.0° |
| C11 | O7 | C9 | C8 | 1.4° | 0.1° |
| O7 | C11 | C33 | H33 | 0.4° | 0.1° |
| C12 | C11 | O7 | C9 | 0.3° | 0.3° |
| C11 | C12 | C36 | C7 | 179.7° | 179.5° |
| C11 | C12 | C36 | O39 | 180.0° | 179.7° |
| C11 | C12 | C7 | C8 | 1.0° | 0.5° |
| C11 | C12 | C7 | O38 | 179.5° | 179.7° |
| C12 | C11 | C33 | H33 | 179.5° | 179.7° |
| O7 | C9 | C19 | C20 | 51.4° | 132.2° |
| O7 | C9 | C19 | C8 | 176.2° | 180.0° |
| O7 | C9 | C19 | C24 | 129.8° | 47.6° |
| O7 | C9 | C8 | C7 | 2.2° | 0.0° |
| O7 | C9 | C8 | O37 | 178.8° | 180.0° |
| C55 | C54 | C59 | C43 | 179.8° | 179.8° |
| C55 | C54 | C43 | C42 | 18.5° | 0.0° |
| C55 | C54 | C43 | H43 | 161.5° | 180.0° |
| C54 | C55 | C56 | H56 | 179.1° | 180.0° |
| C55 | C54 | C59 | H59 | 178.0° | 180.0° |
| C21 | C20 | C19 | H20 | 180.0° | 179.9° |
| C20 | C21 | C22 | O26 | 179.9° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C21 | C20 | C19 | C9 | 179.4° | 180.0° |
| C21 | C20 | C19 | C24 | 0.7° | 0.3° |
| C20 | C21 | O25 | HO25 | 180.0° | 90.0° |
| C22 | C21 | C20 | C19 | 0.1° | 0.0° |
| C21 | C22 | O26 | C23 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.6° | 0.3° |
| C22 | C21 | C20 | H20 | 179.9° | 179.9° |
| C21 | C22 | C23 | H23 | 179.4° | 180.0° |
| C22 | C21 | O25 | HO25 | 0.5° | 90.0° |
| C21 | C22 | O26 | HO26 | 180.0° | 90.0° |
| C20 | C19 | C9 | C24 | 178.7° | 179.8° |
| C20 | C19 | C9 | C8 | 124.7° | 47.7° |
| C20 | C19 | C24 | C23 | 1.2° | 0.5° |
| C20 | C19 | C24 | H24 | 178.8° | 179.8° |
| C59 | C54 | C43 | C42 | 161.7° | 179.7° |
| C59 | C54 | C43 | H43 | 18.3° | 0.2° |
| C59 | C54 | C55 | H55 | 179.1° | 179.8° |
| O26 | C22 | C23 | C24 | 179.4° | 179.7° |
| O26 | C22 | C23 | H23 | 0.6° | 0.0° |
| C22 | C23 | C24 | C19 | 1.1° | 0.6° |
| C22 | C23 | C24 | H23 | 180.0° | 179.7° |
| C22 | C23 | C24 | H24 | 178.9° | 179.8° |
| C23 | C22 | O26 | HO26 | 0.0° | 90.0° |
| C36 | C12 | C7 | C8 | 178.7° | 180.0° |
| C36 | C12 | C7 | O38 | 0.7° | 0.1° |
| C12 | C36 | C35 | H35 | 178.8° | 179.9° |
| C12 | C36 | O39 | HO39 | 0.0° | 90.5° |
| O39 | C36 | C12 | C7 | 0.3° | 0.2° |
| O39 | C36 | C35 | H35 | 1.1° | 0.4° |
| C54 | C43 | C42 | H43 | 180.0° | 180.0° |
| C54 | C43 | C42 | C41 | 177.0° | 180.0° |
| C54 | C43 | C42 | H42 | 3.0° | 0.0° |
| C43 | C54 | C55 | H55 | 0.7° | 0.0° |
| C43 | C54 | C59 | H59 | 1.8° | 0.2° |
| C12 | C7 | C8 | C9 | 2.0° | 0.3° |
| C12 | C7 | C8 | O38 | 179.5° | 179.8° |
| C12 | C7 | C8 | O37 | 179.0° | 179.8° |
| C9 | C19 | C24 | C23 | 179.8° | 179.7° |
| C19 | C9 | C8 | C7 | 178.3° | 180.0° |
| C19 | C9 | C8 | O37 | 2.8° | 0.1° |
| C9 | C19 | C20 | H20 | 0.5° | 0.0° |
| C9 | C19 | C24 | H24 | 0.2° | 0.0° |
| C24 | C19 | C9 | C8 | 54.0° | 132.5° |
| C19 | C24 | C23 | H24 | 180.0° | 179.7° |
| C24 | C19 | C20 | H20 | 179.3° | 179.8° |
| C19 | C24 | C23 | H23 | 178.9° | 179.7° |
| C9 | C8 | C7 | O37 | 178.9° | 179.9° |
| C9 | C8 | C7 | O38 | 178.5° | 179.9° |
| C9 | C8 | O37 | C4 | 99.3° | 114.0° |
| C7 | C8 | O37 | C4 | 79.6° | 65.9° |
| O38 | C7 | C8 | O37 | 0.5° | 0.0° |
| C43 | C42 | C41 | H42 | 180.0° | 180.0° |
| C43 | C42 | C41 | N | 161.7° | 180.0° |
| C43 | C42 | C41 | O45 | 17.1° | 0.0° |
| C8 | O37 | C4 | C3 | 153.5° | 174.9° |
| C8 | O37 | C4 | H41 | 86.9° | 65.2° |
| C8 | O37 | C4 | H4 | 34.0° | 54.9° |
| C42 | C41 | N | O45 | 178.8° | 179.9° |
| C42 | C41 | N | CA | 173.7° | 180.0° |
| C42 | C41 | N | H3 | 6.3° | 0.3° |
| C41 | C42 | C43 | H43 | 3.0° | 0.0° |
| O37 | C4 | C3 | H41 | 119.6° | 120.0° |
| O37 | C4 | C3 | H4 | 119.6° | 120.1° |
| O37 | C4 | C3 | C2 | 62.0° | 175.0° |
| O37 | C4 | C3 | H31 | 58.9° | 65.0° |
| O37 | C4 | C3 | H32 | 177.1° | 55.0° |
| O37 | C4 | H41 | H4 | 121.3° | 120.1° |
| OH | CZ | CE1 | CE2 | 178.6° | 180.0° |
| OH | CZ | CE1 | CD1 | 180.0° | 180.0° |
| OH | CZ | CE2 | CD2 | 179.9° | 180.0° |
| OH | CZ | CE1 | HE1 | 0.0° | 0.0° |
| OH | CZ | CE2 | HE2 | 0.1° | 0.0° |
| C4 | C3 | C2 | H31 | 120.9° | 120.0° |
| C4 | C3 | C2 | H32 | 120.9° | 120.1° |
| C4 | C3 | C2 | N1 | 53.0° | 175.1° |
| C4 | C3 | C2 | H21 | 66.9° | 55.1° |
| C4 | C3 | C2 | H2 | 173.0° | 64.9° |
| C4 | C3 | H31 | H32 | 117.2° | 120.0° |
| C3 | C4 | H41 | H4 | 121.2° | 120.0° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 179.9° |
| CZ | CE1 | CD1 | CG | 1.0° | 0.1° |
| CE1 | CZ | CE2 | CD2 | 1.3° | 0.0° |
| CZ | CE1 | CD1 | HD1 | 179.0° | 180.0° |
| CE1 | CZ | OH | HH | 180.0° | 90.0° |
| CE1 | CZ | CE2 | HE2 | 178.7° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 1.4° | 0.1° |
| CE1 | CD1 | CG | HD1 | 180.0° | 179.9° |
| CE1 | CD1 | CG | CD2 | 0.5° | 0.1° |
| CE1 | CD1 | CG | CB | 179.8° | 179.8° |
| C41 | N | CA | H3 | 180.0° | 179.7° |
| C41 | N | CA | C | 62.0° | 154.8° |
| C41 | N | CA | CB | 175.4° | 85.3° |
| C41 | N | CA | HA | 57.0° | 34.7° |
| N | C41 | C42 | H42 | 18.3° | 0.0° |
| O45 | C41 | N | CA | 5.1° | 0.0° |
| O45 | C41 | N | H3 | 174.9° | 179.6° |
| O45 | C41 | C42 | H42 | 162.9° | 180.0° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 180.0° |
| CZ | CE2 | CD2 | CG | 0.9° | 0.0° |
| CE2 | CZ | CE1 | HE1 | 178.6° | 180.0° |
| CE2 | CZ | OH | HH | 1.4° | 90.0° |
| CZ | CE2 | CD2 | HD2 | 179.2° | 179.7° |
| N | CA | C | N1 | 27.0° | 180.0° |
| N | CA | CB | CG | 57.5° | 65.0° |
| N | CA | C | CB | 125.8° | 120.0° |
| N | CA | C | HA | 119.3° | 120.0° |
| N | CA | CB | HA | 119.0° | 120.0° |
| N | CA | C | OXT | 153.5° | 0.1° |
| N | CA | CB | HB2 | 63.1° | 55.0° |
| N | CA | CB | HB3 | 178.1° | 175.0° |
| CD1 | CG | CD2 | CE2 | 0.4° | 0.0° |
| CD1 | CG | CD2 | CB | 179.3° | 179.7° |
| CD1 | CG | CB | CA | 88.6° | 89.7° |
| CD1 | CG | CB | HB2 | 32.0° | 150.3° |
| CD1 | CG | CB | HB3 | 150.8° | 30.3° |
| CG | CD1 | CE1 | HE1 | 179.0° | 180.0° |
| CD1 | CG | CD2 | HD2 | 179.6° | 179.7° |
| C3 | C2 | N1 | H21 | 119.9° | 120.0° |
| C3 | C2 | N1 | H2 | 119.9° | 120.1° |
| C3 | C2 | N1 | C | 96.0° | 180.0° |
| C3 | C2 | N1 | HN1 | 84.0° | 0.0° |
| C3 | C2 | H21 | H2 | 120.2° | 120.1° |
| C2 | C3 | H31 | H32 | 117.2° | 120.0° |
| C2 | C3 | C4 | H41 | 178.4° | 55.1° |
| C2 | C3 | C4 | H4 | 57.5° | 64.9° |
| C2 | N1 | C | HN1 | 180.0° | 179.9° |
| C2 | N1 | C | CA | 178.9° | 180.0° |
| C2 | N1 | C | OXT | 1.6° | 0.0° |
| N1 | C2 | H21 | H2 | 120.2° | 119.9° |
| N1 | C2 | C3 | H31 | 173.9° | 64.9° |
| N1 | C2 | C3 | H32 | 67.9° | 55.0° |
| N1 | C | CA | OXT | 179.6° | 179.9° |
| N1 | C | CA | CB | 98.8° | 60.0° |
| N1 | C | CA | HA | 146.3° | 60.0° |
| C | N1 | C2 | H21 | 144.1° | 59.9° |
| C | N1 | C2 | H2 | 23.9° | 60.0° |
| CE2 | CD2 | CG | HD2 | 180.0° | 179.7° |
| CE2 | CD2 | CG | CB | 179.7° | 179.7° |
| CD2 | CG | CB | CA | 90.7° | 90.0° |
| CD2 | CG | CB | HB2 | 148.7° | 30.0° |
| CD2 | CG | CB | HB3 | 29.9° | 150.0° |
| CD2 | CG | CD1 | HD1 | 179.4° | 180.0° |
| CG | CD2 | CE2 | HE2 | 179.1° | 180.0° |
| CG | CB | CA | C | 68.4° | 175.0° |
| CG | CB | CA | HB2 | 120.6° | 120.0° |
| CG | CB | CA | HB3 | 120.6° | 120.0° |
| CG | CB | CA | HA | 176.5° | 55.0° |
| CG | CB | HB2 | HB3 | 118.1° | 120.1° |
| CB | CG | CD1 | HD1 | 0.1° | 0.3° |
| CB | CG | CD2 | HD2 | 0.3° | 0.0° |
| C | CA | CB | HA | 115.1° | 120.0° |
| C | CA | N | H3 | 118.0° | 24.9° |
| C | CA | CB | HB2 | 171.0° | 65.0° |
| C | CA | CB | HB3 | 52.3° | 55.0° |
| CA | C | N1 | HN1 | 1.1° | 0.1° |
| CB | CA | C | OXT | 80.7° | 120.0° |
| CB | CA | N | H3 | 4.7° | 95.0° |
| CA | CB | HB2 | HB3 | 118.1° | 120.0° |
| OXT | C | CA | HA | 34.2° | 120.0° |
| OXT | C | N1 | HN1 | 178.5° | 180.0° |
| H3 | N | CA | HA | 123.0° | 145.0° |
| HA | CA | CB | HB2 | 55.9° | 175.0° |
| HA | CA | CB | HB3 | 62.9° | 65.0° |
| HD1 | CD1 | CE1 | HE1 | 1.0° | 0.0° |
| HE2 | CE2 | CD2 | HD2 | 0.9° | 0.3° |
| HN1 | N1 | C2 | H21 | 35.9° | 120.0° |
| HN1 | N1 | C2 | H2 | 156.1° | 120.1° |
| H21 | C2 | C3 | H31 | 54.0° | 175.1° |
| H21 | C2 | C3 | H32 | 172.2° | 65.0° |
| H2 | C2 | C3 | H31 | 66.2° | 55.1° |
| H2 | C2 | C3 | H32 | 52.1° | 175.0° |
| H31 | C3 | C4 | H41 | 60.7° | 175.1° |
| H31 | C3 | C4 | H4 | 178.5° | 55.1° |
| H32 | C3 | C4 | H41 | 57.5° | 65.0° |
| H32 | C3 | C4 | H4 | 63.4° | 175.1° |
| H23 | C23 | C24 | H24 | 1.1° | 0.1° |
| H42 | C42 | C43 | H43 | 177.0° | 180.0° |
| H55 | C55 | C56 | H56 | 0.9° | 0.1° |
