WAA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | C17 | sing | 1.51Å | 1.52Å | |
| C17 | C13 | doub | 1.34Å | 1.36Å | |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| C13 | C12 | sing | 1.48Å | 1.48Å | |
| C16 | C15 | sing | 1.52Å | 1.51Å | |
| C12 | C11 | doub | 1.32Å | 1.35Å | |
| C12 | C14 | sing | 1.50Å | 1.50Å | |
| C11 | C10 | sing | 1.50Å | 1.51Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C14 | C7 | sing | 1.54Å | 1.54Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C7 | C9 | sing | 1.53Å | 1.54Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C9 | C2 | sing | 1.51Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | sing | 1.52Å | 1.53Å | |
| C2 | C4 | sing | 1.53Å | 1.53Å | |
| O1 | C1 | doub | 1.21Å | 1.22Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C1 | N | sing | 1.35Å | 1.34Å | |
| N | CA | sing | 1.46Å | 1.45Å | |
| O | C | doub | 1.21Å | 1.27Å | |
| C | CA | sing | 1.51Å | 1.51Å | |
| C | OXT | sing | 1.34Å | 1.24Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CB | CG | sing | 1.51Å | 1.51Å | |
| CG | CD1 | doub | 1.34Å | 1.39Å | Aromatic |
| CG | CD2 | sing | 1.47Å | 1.40Å | Aromatic |
| CD1 | NE1 | sing | 1.37Å | 1.36Å | Aromatic |
| CD2 | CE3 | sing | 1.40Å | 1.41Å | Aromatic |
| CD2 | CE2 | doub | 1.41Å | 1.39Å | Aromatic |
| CE3 | CZ3 | doub | 1.37Å | 1.41Å | Aromatic |
| NE1 | CE2 | sing | 1.38Å | 1.36Å | Aromatic |
| CE2 | CZ2 | sing | 1.39Å | 1.40Å | Aromatic |
| CZ3 | CH2 | sing | 1.39Å | 1.39Å | Aromatic |
| CZ2 | CH2 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.10Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.12Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.10Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| N | H30 | sing | 0.97Å | 1.00Å | |
| CA | H31 | sing | 1.09Å | 1.10Å | |
| CB | H32 | sing | 1.09Å | 1.10Å | |
| CB | H33 | sing | 1.09Å | 1.10Å | |
| CD1 | H34 | sing | 1.08Å | 1.08Å | |
| NE1 | H35 | sing | 0.97Å | 1.00Å | |
| CE3 | H36 | sing | 1.08Å | 1.08Å | |
| CZ2 | H37 | sing | 1.08Å | 1.08Å | |
| CZ3 | H38 | sing | 1.08Å | 1.08Å | |
| CH2 | H39 | sing | 1.08Å | 1.08Å | |
| OXT | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C18 | C19 | 111.2° | 109.5° |
| C20 | C18 | C17 | 110.7° | 109.4° |
| C20 | C18 | H23 | 107.9° | 109.5° |
| C18 | C20 | H27 | 109.5° | 109.5° |
| C18 | C20 | H28 | 109.4° | 109.5° |
| C18 | C20 | H29 | 109.5° | 109.4° |
| C19 | C18 | C17 | 111.3° | 109.5° |
| C19 | C18 | H23 | 107.7° | 109.5° |
| C18 | C19 | H24 | 109.5° | 109.4° |
| C18 | C19 | H25 | 109.5° | 109.4° |
| C18 | C19 | H26 | 109.5° | 109.5° |
| C18 | C17 | C13 | 119.9° | 121.7° |
| C18 | C17 | C16 | 119.7° | 121.7° |
| C17 | C18 | H23 | 107.9° | 109.5° |
| C13 | C17 | C16 | 120.4° | 116.6° |
| C17 | C13 | C12 | 122.4° | 115.8° |
| C17 | C13 | H17 | 118.8° | 122.1° |
| C17 | C16 | C15 | 110.5° | 112.4° |
| C17 | C16 | H21 | 109.2° | 108.8° |
| C17 | C16 | H22 | 109.2° | 108.9° |
| C13 | C12 | C11 | 121.2° | 119.2° |
| C13 | C12 | C14 | 117.8° | 118.8° |
| C12 | C13 | H17 | 118.8° | 122.1° |
| C16 | C15 | C14 | 111.4° | 112.5° |
| C16 | C15 | H19 | 109.0° | 108.0° |
| C16 | C15 | H20 | 109.0° | 109.2° |
| C15 | C16 | H21 | 109.2° | 108.8° |
| C15 | C16 | H22 | 109.2° | 109.2° |
| C11 | C12 | C14 | 120.9° | 122.0° |
| C12 | C11 | C10 | 124.3° | 123.9° |
| C12 | C11 | H16 | 117.9° | 118.2° |
| C12 | C14 | C15 | 108.5° | 111.4° |
| C12 | C14 | C7 | 115.0° | 111.4° |
| C12 | C14 | H18 | 105.7° | 107.2° |
| C11 | C10 | C9 | 110.3° | 111.3° |
| C11 | C10 | H14 | 109.3° | 108.2° |
| C11 | C10 | H15 | 109.2° | 107.7° |
| C10 | C11 | H16 | 117.8° | 117.9° |
| C15 | C14 | C7 | 116.1° | 112.4° |
| C15 | C14 | H18 | 105.4° | 107.6° |
| C14 | C15 | H19 | 109.0° | 108.5° |
| C14 | C15 | H20 | 109.0° | 110.6° |
| C8 | C7 | C14 | 110.4° | 109.2° |
| C8 | C7 | C9 | 114.4° | 112.3° |
| C8 | C7 | C6 | 111.1° | 110.4° |
| C7 | C8 | H10 | 109.5° | 109.5° |
| C7 | C8 | H11 | 109.5° | 109.5° |
| C7 | C8 | H12 | 109.5° | 109.4° |
| C14 | C7 | C9 | 106.0° | 106.2° |
| C14 | C7 | C6 | 105.7° | 107.8° |
| C7 | C14 | H18 | 105.2° | 106.6° |
| C10 | C9 | C7 | 113.0° | 109.3° |
| C10 | C9 | C2 | 112.5° | 112.0° |
| C10 | C9 | H13 | 104.4° | 106.3° |
| C9 | C10 | H14 | 109.2° | 111.6° |
| C9 | C10 | H15 | 109.3° | 109.4° |
| C9 | C7 | C6 | 108.7° | 110.8° |
| C7 | C9 | C2 | 116.7° | 115.5° |
| C7 | C9 | H13 | 104.4° | 106.4° |
| C7 | C6 | C5 | 113.9° | 110.4° |
| C7 | C6 | H8 | 108.3° | 109.4° |
| C7 | C6 | H9 | 108.3° | 109.5° |
| C9 | C2 | C3 | 113.8° | 113.0° |
| C9 | C2 | C1 | 107.3° | 108.3° |
| C9 | C2 | C4 | 109.3° | 111.8° |
| C2 | C9 | H13 | 104.4° | 106.8° |
| C3 | C2 | C1 | 107.8° | 107.3° |
| C3 | C2 | C4 | 110.1° | 109.3° |
| C2 | C3 | H1 | 109.5° | 109.5° |
| C2 | C3 | H2 | 109.5° | 109.5° |
| C2 | C3 | H3 | 109.5° | 109.5° |
| C6 | C5 | C4 | 112.1° | 109.1° |
| C6 | C5 | H6 | 108.8° | 108.8° |
| C6 | C5 | H7 | 108.8° | 110.7° |
| C5 | C6 | H8 | 108.4° | 109.3° |
| C5 | C6 | H9 | 108.4° | 109.1° |
| C1 | C2 | C4 | 108.4° | 106.7° |
| C2 | C1 | O1 | 120.4° | 120.0° |
| C2 | C1 | N | 117.6° | 120.0° |
| C2 | C4 | C5 | 112.0° | 110.5° |
| C2 | C4 | H4 | 108.9° | 109.1° |
| C2 | C4 | H5 | 108.8° | 109.1° |
| O1 | C1 | N | 121.8° | 120.0° |
| C5 | C4 | H4 | 108.9° | 109.5° |
| C5 | C4 | H5 | 108.9° | 109.6° |
| C4 | C5 | H6 | 108.8° | 109.0° |
| C4 | C5 | H7 | 108.8° | 110.8° |
| C1 | N | CA | 124.5° | 120.0° |
| C1 | N | H30 | 117.8° | 120.0° |
| N | CA | C | 109.0° | 109.5° |
| N | CA | CB | 113.4° | 109.5° |
| CA | N | H30 | 117.7° | 120.0° |
| N | CA | H31 | 107.7° | 109.5° |
| O | C | CA | 118.4° | 120.0° |
| O | C | OXT | 125.6° | 120.0° |
| CA | C | OXT | 115.9° | 120.0° |
| C | CA | CB | 112.6° | 109.4° |
| C | CA | H31 | 106.9° | 109.5° |
| C | OXT | H40 | 109.5° | 117.0° |
| CA | CB | CG | 110.5° | 109.4° |
| CB | CA | H31 | 106.8° | 109.5° |
| CA | CB | H32 | 109.2° | 109.5° |
| CA | CB | H33 | 109.2° | 109.5° |
| CB | CG | CD1 | 125.4° | 126.5° |
| CB | CG | CD2 | 128.5° | 126.5° |
| CG | CB | H32 | 109.2° | 109.5° |
| CG | CB | H33 | 109.2° | 109.5° |
| CD1 | CG | CD2 | 106.1° | 107.0° |
| CG | CD1 | NE1 | 109.0° | 109.9° |
| CG | CD1 | H34 | 125.5° | 125.0° |
| CG | CD2 | CE3 | 131.0° | 134.0° |
| CG | CD2 | CE2 | 108.2° | 106.0° |
| CD1 | NE1 | CE2 | 109.0° | 109.8° |
| NE1 | CD1 | H34 | 125.5° | 125.0° |
| CD1 | NE1 | H35 | 125.5° | 125.1° |
| CE3 | CD2 | CE2 | 120.7° | 120.0° |
| CD2 | CE3 | CZ3 | 119.7° | 119.7° |
| CD2 | CE3 | H36 | 120.2° | 120.1° |
| CD2 | CE2 | NE1 | 107.7° | 107.2° |
| CD2 | CE2 | CZ2 | 119.1° | 119.3° |
| CE3 | CZ3 | CH2 | 119.7° | 120.6° |
| CZ3 | CE3 | H36 | 120.2° | 120.1° |
| CE3 | CZ3 | H38 | 120.1° | 119.7° |
| NE1 | CE2 | CZ2 | 133.2° | 133.5° |
| CE2 | NE1 | H35 | 125.5° | 125.1° |
| CE2 | CZ2 | CH2 | 120.9° | 119.8° |
| CE2 | CZ2 | H37 | 119.6° | 120.1° |
| CZ3 | CH2 | CZ2 | 119.8° | 120.7° |
| CH2 | CZ3 | H38 | 120.2° | 119.7° |
| CZ3 | CH2 | H39 | 120.1° | 119.7° |
| CH2 | CZ2 | H37 | 119.5° | 120.1° |
| CZ2 | CH2 | H39 | 120.1° | 119.7° |
| H1 | C3 | H2 | 109.5° | 109.5° |
| H1 | C3 | H3 | 109.4° | 109.4° |
| H2 | C3 | H3 | 109.5° | 109.5° |
| H4 | C4 | H5 | 109.4° | 108.9° |
| H6 | C5 | H7 | 109.5° | 108.3° |
| H8 | C6 | H9 | 109.5° | 109.0° |
| H10 | C8 | H11 | 109.4° | 109.4° |
| H10 | C8 | H12 | 109.5° | 109.5° |
| H11 | C8 | H12 | 109.4° | 109.5° |
| H14 | C10 | H15 | 109.5° | 108.4° |
| H19 | C15 | H20 | 109.5° | 107.8° |
| H21 | C16 | H22 | 109.4° | 108.8° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| H24 | C19 | H26 | 109.4° | 109.5° |
| H25 | C19 | H26 | 109.5° | 109.5° |
| H27 | C20 | H28 | 109.5° | 109.5° |
| H27 | C20 | H29 | 109.5° | 109.5° |
| H28 | C20 | H29 | 109.5° | 109.4° |
| H32 | CB | H33 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C18 | C19 | C17 | 124.0° | 119.9° |
| C20 | C18 | C19 | H23 | 118.0° | 120.0° |
| C20 | C18 | C17 | H23 | 117.8° | 120.0° |
| C20 | C18 | C17 | C13 | 120.9° | 120.0° |
| C20 | C18 | C17 | C16 | 60.5° | 60.1° |
| C20 | C18 | C19 | H24 | 180.0° | 60.1° |
| C20 | C18 | C19 | H25 | 60.0° | 180.0° |
| C20 | C18 | C19 | H26 | 60.0° | 60.0° |
| C18 | C20 | H27 | H28 | 120.0° | 120.0° |
| C18 | C20 | H27 | H29 | 120.0° | 120.0° |
| C18 | C20 | H28 | H29 | 120.0° | 120.0° |
| C19 | C18 | C17 | H23 | 117.9° | 120.0° |
| C19 | C18 | C17 | C13 | 114.9° | 120.0° |
| C19 | C18 | C17 | C16 | 63.8° | 59.9° |
| C18 | C19 | H24 | H25 | 120.0° | 119.9° |
| C18 | C19 | H24 | H26 | 120.0° | 120.0° |
| C18 | C19 | H25 | H26 | 120.0° | 120.0° |
| C19 | C18 | C20 | H27 | 180.0° | 60.0° |
| C19 | C18 | C20 | H28 | 60.0° | 180.0° |
| C19 | C18 | C20 | H29 | 60.0° | 60.1° |
| C18 | C17 | C13 | C16 | 178.6° | 179.9° |
| C18 | C17 | C13 | C12 | 173.2° | 180.0° |
| C18 | C17 | C16 | C15 | 159.1° | 133.3° |
| C18 | C17 | C13 | H17 | 6.9° | 0.0° |
| C18 | C17 | C16 | H21 | 38.9° | 12.8° |
| C18 | C17 | C16 | H22 | 80.7° | 105.6° |
| C17 | C18 | C19 | H24 | 56.0° | 180.0° |
| C17 | C18 | C19 | H25 | 64.0° | 60.0° |
| C17 | C18 | C19 | H26 | 176.0° | 60.0° |
| C17 | C18 | C20 | H27 | 55.7° | 60.0° |
| C17 | C18 | C20 | H28 | 175.7° | 60.0° |
| C17 | C18 | C20 | H29 | 64.3° | 180.0° |
| C17 | C13 | C12 | H17 | 180.0° | 180.0° |
| C13 | C17 | C16 | C15 | 22.3° | 46.6° |
| C17 | C13 | C12 | C11 | 176.7° | 137.7° |
| C17 | C13 | C12 | C14 | 0.0° | 43.1° |
| C13 | C17 | C16 | H21 | 142.4° | 167.1° |
| C13 | C17 | C16 | H22 | 97.9° | 74.5° |
| C13 | C17 | C18 | H23 | 3.1° | 0.0° |
| C16 | C17 | C13 | C12 | 5.4° | 0.1° |
| C17 | C16 | C15 | H21 | 120.2° | 120.5° |
| C17 | C16 | C15 | H22 | 120.2° | 120.9° |
| C17 | C16 | C15 | C14 | 55.5° | 51.8° |
| C16 | C17 | C13 | H17 | 174.5° | 179.9° |
| C17 | C16 | C15 | H19 | 64.8° | 67.9° |
| C17 | C16 | C15 | H20 | 175.7° | 175.1° |
| C17 | C16 | H21 | H22 | 119.5° | 118.5° |
| C16 | C17 | C18 | H23 | 178.3° | 179.9° |
| C13 | C12 | C11 | C14 | 176.7° | 179.2° |
| C13 | C12 | C11 | C10 | 178.3° | 177.5° |
| C13 | C12 | C14 | C15 | 31.9° | 34.7° |
| C13 | C12 | C14 | C7 | 163.7° | 161.0° |
| C13 | C12 | C11 | H16 | 1.7° | 2.6° |
| C13 | C12 | C14 | H18 | 80.7° | 82.7° |
| C16 | C15 | C14 | C12 | 59.9° | 12.2° |
| C16 | C15 | C14 | H19 | 120.3° | 119.5° |
| C16 | C15 | C14 | H20 | 120.3° | 122.5° |
| C16 | C15 | C14 | C7 | 168.8° | 113.6° |
| C16 | C15 | C14 | H18 | 52.9° | 129.4° |
| C16 | C15 | H19 | H20 | 119.1° | 117.9° |
| C15 | C16 | H21 | H22 | 119.5° | 118.8° |
| C12 | C11 | C10 | H16 | 180.0° | 179.9° |
| C11 | C12 | C14 | C15 | 151.4° | 146.1° |
| C11 | C12 | C14 | C7 | 19.5° | 19.7° |
| C12 | C11 | C10 | C9 | 14.9° | 12.1° |
| C12 | C11 | C10 | H14 | 135.0° | 110.9° |
| C12 | C11 | C10 | H15 | 105.2° | 132.1° |
| C11 | C12 | C13 | H17 | 3.3° | 42.3° |
| C11 | C12 | C14 | H18 | 96.1° | 96.5° |
| C14 | C12 | C11 | C10 | 1.6° | 1.8° |
| C12 | C14 | C15 | C7 | 131.3° | 125.8° |
| C12 | C14 | C15 | H18 | 112.8° | 117.2° |
| C12 | C14 | C7 | C8 | 76.5° | 68.2° |
| C12 | C14 | C7 | H18 | 115.8° | 116.6° |
| C12 | C14 | C7 | C9 | 48.0° | 53.0° |
| C12 | C14 | C7 | C6 | 163.3° | 171.8° |
| C14 | C12 | C11 | H16 | 178.4° | 178.1° |
| C14 | C12 | C13 | H17 | 179.9° | 136.9° |
| C12 | C14 | C15 | H19 | 60.4° | 107.2° |
| C12 | C14 | C15 | H20 | 179.8° | 134.7° |
| C11 | C10 | C9 | H14 | 120.1° | 121.0° |
| C11 | C10 | C9 | H15 | 120.1° | 118.9° |
| C11 | C10 | C9 | C7 | 46.8° | 47.2° |
| C11 | C10 | C9 | C2 | 178.5° | 176.5° |
| C11 | C10 | C9 | H13 | 65.9° | 67.2° |
| C11 | C10 | H14 | H15 | 119.6° | 116.5° |
| C15 | C14 | C7 | C8 | 51.7° | 57.6° |
| C15 | C14 | C7 | H18 | 116.0° | 117.6° |
| C15 | C14 | C7 | C9 | 176.2° | 178.9° |
| C15 | C14 | C7 | C6 | 68.5° | 62.4° |
| C14 | C15 | H19 | H20 | 119.1° | 119.8° |
| C14 | C15 | C16 | H21 | 175.6° | 172.3° |
| C14 | C15 | C16 | H22 | 64.7° | 69.1° |
| C8 | C7 | C14 | C9 | 124.5° | 121.3° |
| C8 | C7 | C14 | C6 | 120.2° | 119.9° |
| C8 | C7 | C9 | C10 | 58.8° | 51.3° |
| C8 | C7 | C9 | C6 | 124.9° | 124.0° |
| C8 | C7 | C9 | C2 | 73.9° | 76.0° |
| C8 | C7 | C6 | C5 | 76.0° | 70.3° |
| C8 | C7 | C6 | H8 | 44.6° | 169.4° |
| C8 | C7 | C6 | H9 | 163.3° | 49.9° |
| C7 | C8 | H10 | H11 | 120.0° | 120.0° |
| C7 | C8 | H10 | H12 | 120.0° | 120.0° |
| C7 | C8 | H11 | H12 | 120.0° | 120.0° |
| C8 | C7 | C9 | H13 | 171.6° | 165.7° |
| C8 | C7 | C14 | H18 | 167.7° | 175.2° |
| C14 | C7 | C9 | C10 | 63.1° | 68.0° |
| C14 | C7 | C9 | C6 | 113.2° | 116.7° |
| C14 | C7 | C9 | C2 | 164.2° | 164.7° |
| C14 | C7 | C6 | C5 | 164.2° | 170.6° |
| C14 | C7 | C6 | H8 | 75.1° | 50.2° |
| C14 | C7 | C6 | H9 | 43.6° | 69.3° |
| C14 | C7 | C8 | H10 | 180.0° | 63.8° |
| C14 | C7 | C8 | H11 | 60.0° | 56.1° |
| C14 | C7 | C8 | H12 | 60.0° | 176.1° |
| C14 | C7 | C9 | H13 | 49.7° | 46.4° |
| C7 | C14 | C15 | H19 | 70.9° | 126.9° |
| C7 | C14 | C15 | H20 | 48.5° | 8.9° |
| C10 | C9 | C7 | C2 | 132.7° | 127.3° |
| C10 | C9 | C7 | H13 | 112.8° | 114.4° |
| C10 | C9 | C7 | C6 | 176.3° | 175.3° |
| C10 | C9 | C2 | H13 | 112.6° | 116.0° |
| C10 | C9 | C2 | C3 | 62.0° | 49.3° |
| C10 | C9 | C2 | C1 | 57.2° | 69.5° |
| C10 | C9 | C2 | C4 | 174.5° | 173.2° |
| C9 | C10 | H14 | H15 | 119.7° | 120.6° |
| C9 | C10 | C11 | H16 | 165.1° | 168.0° |
| C7 | C9 | C2 | H13 | 114.5° | 118.1° |
| C7 | C9 | C2 | C3 | 70.9° | 76.6° |
| C9 | C7 | C6 | C5 | 50.8° | 54.8° |
| C7 | C9 | C2 | C1 | 169.9° | 164.6° |
| C7 | C9 | C2 | C4 | 52.6° | 47.2° |
| C9 | C7 | C6 | H8 | 171.4° | 65.5° |
| C9 | C7 | C6 | H9 | 69.9° | 175.0° |
| C9 | C7 | C8 | H10 | 60.5° | 53.6° |
| C9 | C7 | C8 | H11 | 59.5° | 173.6° |
| C9 | C7 | C8 | H12 | 179.5° | 66.4° |
| C7 | C9 | C10 | H14 | 166.9° | 73.8° |
| C7 | C9 | C10 | H15 | 73.3° | 166.1° |
| C9 | C7 | C14 | H18 | 67.8° | 63.5° |
| C6 | C7 | C9 | C2 | 51.0° | 48.0° |
| C7 | C6 | C5 | H8 | 120.6° | 120.5° |
| C7 | C6 | C5 | H9 | 120.6° | 120.4° |
| C7 | C6 | C5 | C4 | 55.0° | 62.4° |
| C7 | C6 | C5 | H6 | 65.3° | 178.8° |
| C7 | C6 | C5 | H7 | 175.4° | 59.8° |
| C7 | C6 | H8 | H9 | 118.0° | 119.8° |
| C6 | C7 | C8 | H10 | 63.1° | 177.9° |
| C6 | C7 | C8 | H11 | 176.9° | 62.2° |
| C6 | C7 | C8 | H12 | 56.9° | 57.8° |
| C6 | C7 | C9 | H13 | 63.5° | 70.3° |
| C6 | C7 | C14 | H18 | 47.5° | 55.2° |
| C9 | C2 | C3 | C1 | 118.9° | 119.3° |
| C9 | C2 | C3 | C4 | 123.0° | 125.2° |
| C9 | C2 | C1 | C4 | 117.9° | 120.6° |
| C9 | C2 | C1 | O1 | 119.0° | 0.6° |
| C9 | C2 | C4 | C5 | 52.6° | 53.1° |
| C9 | C2 | C1 | N | 55.3° | 179.7° |
| C9 | C2 | C3 | H1 | 180.0° | 54.3° |
| C9 | C2 | C3 | H2 | 60.0° | 65.7° |
| C9 | C2 | C3 | H3 | 60.0° | 174.2° |
| C9 | C2 | C4 | H4 | 67.8° | 67.4° |
| C9 | C2 | C4 | H5 | 173.0° | 173.7° |
| C2 | C9 | C10 | H14 | 58.4° | 55.4° |
| C2 | C9 | C10 | H15 | 61.4° | 64.6° |
| C3 | C2 | C1 | C4 | 119.1° | 117.1° |
| C3 | C2 | C1 | O1 | 4.0° | 122.9° |
| C3 | C2 | C4 | C5 | 73.1° | 72.8° |
| C3 | C2 | C1 | N | 178.2° | 57.4° |
| C2 | C3 | H1 | H2 | 120.0° | 120.0° |
| C2 | C3 | H1 | H3 | 120.0° | 120.0° |
| C2 | C3 | H2 | H3 | 120.0° | 120.0° |
| C3 | C2 | C4 | H4 | 166.5° | 166.7° |
| C3 | C2 | C4 | H5 | 47.3° | 47.8° |
| C3 | C2 | C9 | H13 | 174.6° | 165.3° |
| C6 | C5 | C4 | C2 | 55.4° | 61.1° |
| C6 | C5 | C4 | H6 | 120.4° | 118.7° |
| C6 | C5 | C4 | H7 | 120.4° | 122.1° |
| C6 | C5 | C4 | H4 | 65.0° | 59.2° |
| C6 | C5 | C4 | H5 | 175.8° | 178.6° |
| C6 | C5 | H6 | H7 | 118.8° | 120.4° |
| C5 | C6 | H8 | H9 | 118.0° | 119.2° |
| C2 | C1 | O1 | N | 174.0° | 179.7° |
| C1 | C2 | C4 | C5 | 169.2° | 171.4° |
| C2 | C1 | N | CA | 167.7° | 179.7° |
| C1 | C2 | C3 | H1 | 61.1° | 65.1° |
| C1 | C2 | C3 | H2 | 58.9° | 174.9° |
| C1 | C2 | C3 | H3 | 178.9° | 54.9° |
| C1 | C2 | C4 | H4 | 48.8° | 50.9° |
| C1 | C2 | C4 | H5 | 70.4° | 68.0° |
| C1 | C2 | C9 | H13 | 55.4° | 46.5° |
| C2 | C1 | N | H30 | 12.3° | 0.3° |
| C4 | C2 | C1 | O1 | 123.1° | 120.0° |
| C2 | C4 | C5 | H4 | 120.4° | 120.3° |
| C2 | C4 | C5 | H5 | 120.4° | 120.3° |
| C4 | C2 | C1 | N | 62.6° | 59.7° |
| C4 | C2 | C3 | H1 | 56.9° | 179.5° |
| C4 | C2 | C3 | H2 | 176.9° | 59.5° |
| C4 | C2 | C3 | H3 | 63.0° | 60.5° |
| C2 | C4 | H4 | H5 | 118.8° | 119.0° |
| C2 | C4 | C5 | H6 | 65.0° | 179.8° |
| C2 | C4 | C5 | H7 | 175.8° | 61.0° |
| C4 | C2 | C9 | H13 | 61.9° | 70.8° |
| O1 | C1 | N | CA | 6.5° | 0.0° |
| O1 | C1 | N | H30 | 173.5° | 180.0° |
| C5 | C4 | H4 | H5 | 118.9° | 119.8° |
| C4 | C5 | H6 | H7 | 118.8° | 120.7° |
| C4 | C5 | C6 | H8 | 175.7° | 58.1° |
| C4 | C5 | C6 | H9 | 65.6° | 177.2° |
| C1 | N | CA | H30 | 180.0° | 180.0° |
| C1 | N | CA | C | 153.4° | 85.1° |
| C1 | N | CA | CB | 80.3° | 155.0° |
| C1 | N | CA | H31 | 37.7° | 35.0° |
| N | CA | C | O | 2.8° | 0.0° |
| N | CA | C | CB | 126.8° | 120.0° |
| N | CA | C | H31 | 116.2° | 120.0° |
| N | CA | C | OXT | 173.8° | 179.9° |
| N | CA | CB | H31 | 118.5° | 120.0° |
| N | CA | CB | CG | 65.5° | 65.0° |
| N | CA | CB | H32 | 174.4° | 55.0° |
| N | CA | CB | H33 | 54.7° | 175.0° |
| O | C | CA | OXT | 176.6° | 179.9° |
| O | C | CA | CB | 124.0° | 120.0° |
| O | C | CA | H31 | 119.0° | 119.9° |
| O | C | OXT | H40 | 0.0° | 0.1° |
| C | CA | CB | H31 | 117.1° | 120.0° |
| C | CA | CB | CG | 58.9° | 175.0° |
| C | CA | N | H30 | 26.6° | 95.0° |
| C | CA | CB | H32 | 61.2° | 65.0° |
| C | CA | CB | H33 | 179.1° | 55.0° |
| CA | C | OXT | H40 | 176.3° | 180.0° |
| OXT | C | CA | CB | 59.4° | 60.1° |
| OXT | C | CA | H31 | 57.6° | 60.0° |
| CA | CB | CG | H32 | 120.2° | 120.0° |
| CA | CB | CG | H33 | 120.2° | 120.0° |
| CA | CB | CG | CD1 | 81.9° | 95.0° |
| CA | CB | CG | CD2 | 97.8° | 84.8° |
| CB | CA | N | H30 | 99.7° | 25.0° |
| CA | CB | H32 | H33 | 119.5° | 120.0° |
| CB | CG | CD1 | CD2 | 179.7° | 179.8° |
| CB | CG | CD1 | NE1 | 179.8° | 180.0° |
| CB | CG | CD2 | CE3 | 1.6° | 0.0° |
| CB | CG | CD2 | CE2 | 179.4° | 179.9° |
| CG | CB | CA | H31 | 176.0° | 55.0° |
| CG | CB | H32 | H33 | 119.5° | 120.0° |
| CB | CG | CD1 | H34 | 0.1° | 0.0° |
| CG | CD1 | NE1 | H34 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE3 | 178.7° | 179.8° |
| CD1 | CG | CD2 | CE2 | 0.9° | 0.2° |
| CG | CD1 | NE1 | CE2 | 0.1° | 0.1° |
| CD1 | CG | CB | H32 | 158.0° | 145.0° |
| CD1 | CG | CB | H33 | 38.3° | 25.0° |
| CG | CD1 | NE1 | H35 | 179.8° | 180.0° |
| CD2 | CG | CD1 | NE1 | 0.5° | 0.2° |
| CG | CD2 | CE3 | CE2 | 177.6° | 180.0° |
| CG | CD2 | CE3 | CZ3 | 178.7° | 180.0° |
| CG | CD2 | CE2 | NE1 | 1.0° | 0.2° |
| CG | CD2 | CE2 | CZ2 | 179.9° | 180.0° |
| CD2 | CG | CB | H32 | 22.4° | 35.2° |
| CD2 | CG | CB | H33 | 142.1° | 155.3° |
| CD2 | CG | CD1 | H34 | 179.6° | 179.8° |
| CG | CD2 | CE3 | H36 | 1.3° | 0.0° |
| CD1 | NE1 | CE2 | CD2 | 0.7° | 0.0° |
| CD1 | NE1 | CE2 | H35 | 180.0° | 179.9° |
| CD1 | NE1 | CE2 | CZ2 | 179.7° | 179.8° |
| CD2 | CE3 | CZ3 | H36 | 180.0° | 179.9° |
| CE3 | CD2 | CE2 | NE1 | 179.1° | 179.9° |
| CE3 | CD2 | CE2 | CZ2 | 1.8° | 0.0° |
| CD2 | CE3 | CZ3 | CH2 | 0.2° | 0.0° |
| CD2 | CE3 | CZ3 | H38 | 179.8° | 180.0° |
| CE2 | CD2 | CE3 | CZ3 | 1.1° | 0.0° |
| CD2 | CE2 | NE1 | CZ2 | 178.9° | 179.8° |
| CD2 | CE2 | CZ2 | CH2 | 1.6° | 0.0° |
| CD2 | CE2 | NE1 | H35 | 179.3° | 179.9° |
| CE2 | CD2 | CE3 | H36 | 178.9° | 180.0° |
| CD2 | CE2 | CZ2 | H37 | 178.4° | 180.0° |
| CE3 | CZ3 | CH2 | H38 | 180.0° | 179.9° |
| CE3 | CZ3 | CH2 | CZ2 | 0.0° | 0.1° |
| CE3 | CZ3 | CH2 | H39 | 180.0° | 180.0° |
| NE1 | CE2 | CZ2 | CH2 | 179.6° | 179.7° |
| CE2 | NE1 | CD1 | H34 | 179.8° | 179.9° |
| NE1 | CE2 | CZ2 | H37 | 0.4° | 0.2° |
| CE2 | CZ2 | CH2 | CZ3 | 0.7° | 0.1° |
| CE2 | CZ2 | CH2 | H37 | 180.0° | 180.0° |
| CZ2 | CE2 | NE1 | H35 | 0.3° | 0.1° |
| CE2 | CZ2 | CH2 | H39 | 179.4° | 180.0° |
| CZ3 | CH2 | CZ2 | H39 | 180.0° | 179.9° |
| CH2 | CZ3 | CE3 | H36 | 179.8° | 179.9° |
| CZ3 | CH2 | CZ2 | H37 | 179.3° | 179.9° |
| CZ2 | CH2 | CZ3 | H38 | 180.0° | 180.0° |
| H1 | C3 | H2 | H3 | 119.9° | 120.0° |
| H4 | C4 | C5 | H6 | 174.6° | 59.5° |
| H4 | C4 | C5 | H7 | 55.4° | 178.7° |
| H5 | C4 | C5 | H6 | 55.4° | 59.9° |
| H5 | C4 | C5 | H7 | 63.8° | 59.3° |
| H6 | C5 | C6 | H8 | 55.3° | 60.8° |
| H6 | C5 | C6 | H9 | 174.0° | 58.4° |
| H7 | C5 | C6 | H8 | 63.9° | 179.7° |
| H7 | C5 | C6 | H9 | 54.8° | 60.6° |
| H10 | C8 | H11 | H12 | 120.0° | 120.1° |
| H13 | C9 | C10 | H14 | 54.2° | 171.7° |
| H13 | C9 | C10 | H15 | 174.0° | 51.7° |
| H14 | C10 | C11 | H16 | 45.0° | 69.0° |
| H15 | C10 | C11 | H16 | 74.8° | 48.0° |
| H18 | C14 | C15 | H19 | 173.2° | 9.9° |
| H18 | C14 | C15 | H20 | 67.4° | 108.1° |
| H19 | C15 | C16 | H21 | 55.4° | 52.6° |
| H19 | C15 | C16 | H22 | 175.0° | 171.1° |
| H20 | C15 | C16 | H21 | 64.1° | 64.4° |
| H20 | C15 | C16 | H22 | 55.6° | 54.2° |
| H23 | C18 | C19 | H24 | 62.0° | 60.0° |
| H23 | C18 | C19 | H25 | 178.0° | 60.0° |
| H23 | C18 | C19 | H26 | 58.0° | 180.0° |
| H23 | C18 | C20 | H27 | 62.1° | 180.0° |
| H23 | C18 | C20 | H28 | 57.9° | 60.0° |
| H23 | C18 | C20 | H29 | 177.9° | 60.0° |
| H24 | C19 | H25 | H26 | 119.9° | 120.1° |
| H27 | C20 | H28 | H29 | 120.0° | 120.0° |
| H30 | N | CA | H31 | 142.3° | 145.0° |
| H31 | CA | CB | H32 | 55.9° | 175.0° |
| H31 | CA | CB | H33 | 63.8° | 65.0° |
| H34 | CD1 | NE1 | H35 | 0.2° | 0.0° |
| H36 | CE3 | CZ3 | H38 | 0.2° | 0.0° |
| H37 | CZ2 | CH2 | H39 | 0.6° | 0.0° |
| H38 | CZ3 | CH2 | H39 | 0.0° | 0.1° |
