A1IFK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4' | C3' | doub | 1.38Å | 1.38Å | Aromatic |
| C4' | C5' | sing | 1.38Å | 1.38Å | Aromatic |
| C3' | C2' | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C21 | sing | 1.53Å | 1.51Å | |
| C5' | C6' | doub | 1.38Å | 1.38Å | Aromatic |
| C2' | C1' | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.53Å | 1.49Å | |
| C26 | N14 | sing | 1.47Å | 1.44Å | |
| C25 | N17 | sing | 1.47Å | 1.45Å | |
| C21 | O20 | sing | 1.45Å | 1.41Å | |
| C21 | C24 | sing | 1.53Å | 1.50Å | |
| C21 | C22 | sing | 1.53Å | 1.50Å | |
| O20 | C18 | sing | 1.35Å | 1.34Å | |
| C6' | C1' | sing | 1.38Å | 1.39Å | Aromatic |
| C1' | C' | sing | 1.51Å | 1.38Å | |
| C13 | N14 | sing | 1.47Å | 1.44Å | |
| C13 | C12 | sing | 1.51Å | 1.49Å | |
| N14 | C15 | sing | 1.47Å | 1.44Å | |
| N17 | C18 | sing | 1.35Å | 1.31Å | |
| N17 | C16 | sing | 1.47Å | 1.45Å | |
| C18 | O19 | doub | 1.22Å | 1.21Å | |
| OG | C' | sing | 1.43Å | 1.39Å | |
| OG | CB | sing | 1.43Å | 1.39Å | |
| C12 | N | sing | 1.35Å | 1.29Å | |
| C12 | O27 | doub | 1.21Å | 1.20Å | |
| N | CA | sing | 1.46Å | 1.43Å | |
| C15 | C16 | sing | 1.53Å | 1.48Å | |
| CA | CB | sing | 1.53Å | 1.49Å | |
| CA | C | sing | 1.51Å | 1.49Å | |
| C | O | doub | 1.21Å | 1.20Å | |
| C | N1 | sing | 1.35Å | 1.30Å | |
| CM | OH | sing | 1.43Å | 1.40Å | |
| CE2 | CD2 | doub | 1.38Å | 1.36Å | Aromatic |
| CE2 | CZ | sing | 1.39Å | 1.36Å | Aromatic |
| CD2 | CG | sing | 1.38Å | 1.35Å | Aromatic |
| N1 | CA1 | sing | 1.46Å | 1.45Å | |
| OH | CZ | sing | 1.36Å | 1.33Å | |
| CZ | CE1 | doub | 1.39Å | 1.36Å | Aromatic |
| CG | CB1 | sing | 1.51Å | 1.35Å | |
| CG | CD1 | doub | 1.38Å | 1.35Å | Aromatic |
| CA1 | CB1 | sing | 1.53Å | 1.52Å | |
| CA1 | C1 | sing | 1.51Å | 1.50Å | |
| O1 | C1 | doub | 1.21Å | 1.21Å | |
| CE1 | CD1 | sing | 1.38Å | 1.36Å | Aromatic |
| C1 | N4 | sing | 1.35Å | 1.32Å | |
| C51 | C50 | sing | 1.53Å | 1.49Å | |
| C51 | C52 | sing | 1.53Å | 1.48Å | |
| C50 | C49 | sing | 1.53Å | 1.48Å | |
| N4 | C3 | sing | 1.47Å | 1.46Å | |
| C57 | C11 | sing | 1.53Å | 1.50Å | |
| C52 | C53 | sing | 1.53Å | 1.48Å | |
| C49 | C54 | sing | 1.53Å | 1.50Å | |
| C49 | C48 | sing | 1.53Å | 1.51Å | |
| C53 | C54 | sing | 1.53Å | 1.52Å | |
| C3 | C48 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C11 | O58 | sing | 1.43Å | 1.38Å | |
| C11 | C2 | sing | 1.51Å | 1.64Å | |
| C11 | C56 | sing | 1.53Å | 1.48Å | |
| C2 | O55 | sing | 1.43Å | 1.37Å | |
| C2 | OG1 | sing | 1.44Å | 1.40Å | |
| C56 | N2 | sing | 1.48Å | 1.44Å | |
| OG1 | CB2 | sing | 1.36Å | 1.38Å | |
| N2 | CA2 | sing | 1.45Å | 1.43Å | |
| CB2 | CA2 | sing | 1.54Å | 1.58Å | |
| CB2 | CG2 | sing | 1.53Å | 1.50Å | |
| CA2 | C4 | sing | 1.51Å | 1.49Å | |
| C4 | O2 | doub | 1.21Å | 1.21Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C25 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| CA | H23 | sing | 1.09Å | 1.10Å | |
| N | H24 | sing | 0.97Å | 1.00Å | |
| CB | H25 | sing | 1.09Å | 1.10Å | |
| CB | H26 | sing | 1.09Å | 1.10Å | |
| C' | H27 | sing | 1.09Å | 1.10Å | |
| C' | H28 | sing | 1.09Å | 1.10Å | |
| C2' | H29 | sing | 1.08Å | 1.08Å | |
| C3' | H30 | sing | 1.08Å | 1.08Å | |
| C4' | H31 | sing | 1.08Å | 1.08Å | |
| C5' | H32 | sing | 1.08Å | 1.08Å | |
| C6' | H33 | sing | 1.08Å | 1.08Å | |
| N1 | H34 | sing | 0.97Å | 1.00Å | |
| CA1 | H35 | sing | 1.09Å | 1.10Å | |
| CB1 | H36 | sing | 1.09Å | 1.10Å | |
| CB1 | H37 | sing | 1.09Å | 1.10Å | |
| CD1 | H38 | sing | 1.08Å | 1.08Å | |
| CE1 | H39 | sing | 1.08Å | 1.08Å | |
| CM | H40 | sing | 1.09Å | 1.10Å | |
| CM | H41 | sing | 1.09Å | 1.10Å | |
| CM | H42 | sing | 1.09Å | 1.10Å | |
| CE2 | H43 | sing | 1.08Å | 1.08Å | |
| CD2 | H44 | sing | 1.08Å | 1.08Å | |
| N4 | H45 | sing | 0.97Å | 1.00Å | |
| C48 | H46 | sing | 1.09Å | 1.10Å | |
| C48 | H47 | sing | 1.09Å | 1.10Å | |
| C49 | H48 | sing | 1.09Å | 1.10Å | |
| C54 | H49 | sing | 1.09Å | 1.10Å | |
| C54 | H50 | sing | 1.09Å | 1.10Å | |
| C53 | H51 | sing | 1.09Å | 1.10Å | |
| C53 | H52 | sing | 1.09Å | 1.10Å | |
| C52 | H53 | sing | 1.09Å | 1.10Å | |
| C52 | H54 | sing | 1.09Å | 1.10Å | |
| C51 | H55 | sing | 1.09Å | 1.10Å | |
| C51 | H56 | sing | 1.09Å | 1.10Å | |
| C50 | H57 | sing | 1.09Å | 1.10Å | |
| C50 | H58 | sing | 1.09Å | 1.10Å | |
| O55 | H59 | sing | 0.97Å | 0.95Å | |
| CB2 | H60 | sing | 1.09Å | 1.10Å | |
| CG2 | H61 | sing | 1.09Å | 1.10Å | |
| CG2 | H62 | sing | 1.09Å | 1.10Å | |
| CG2 | H63 | sing | 1.09Å | 1.10Å | |
| CA2 | H64 | sing | 1.09Å | 1.10Å | |
| N2 | H65 | sing | 1.01Å | 1.00Å | |
| C56 | H67 | sing | 1.09Å | 1.10Å | |
| C56 | H68 | sing | 1.09Å | 1.10Å | |
| C57 | H69 | sing | 1.09Å | 1.10Å | |
| C57 | H70 | sing | 1.09Å | 1.10Å | |
| C57 | H71 | sing | 1.09Å | 1.10Å | |
| O58 | H72 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3' | C4' | C5' | 120.3° | 120.0° |
| C4' | C3' | C2' | 119.6° | 120.0° |
| C4' | C3' | H30 | 120.2° | 120.0° |
| C3' | C4' | H31 | 119.8° | 120.0° |
| C4' | C5' | C6' | 120.1° | 120.0° |
| C5' | C4' | H31 | 119.8° | 120.0° |
| C4' | C5' | H32 | 119.9° | 120.0° |
| C3' | C2' | C1' | 120.4° | 120.0° |
| C3' | C2' | H29 | 119.8° | 120.0° |
| C2' | C3' | H30 | 120.2° | 120.0° |
| C23 | C21 | O20 | 109.9° | 109.5° |
| C23 | C21 | C24 | 109.0° | 109.4° |
| C23 | C21 | C22 | 108.8° | 109.4° |
| C21 | C23 | H19 | 109.5° | 109.5° |
| C21 | C23 | H20 | 109.4° | 109.5° |
| C21 | C23 | H21 | 109.5° | 109.5° |
| C5' | C6' | C1' | 119.9° | 120.0° |
| C6' | C5' | H32 | 119.9° | 120.0° |
| C5' | C6' | H33 | 120.1° | 120.0° |
| C2' | C1' | C6' | 119.6° | 120.0° |
| C2' | C1' | C' | 120.8° | 120.0° |
| C1' | C2' | H29 | 119.8° | 120.0° |
| C25 | C26 | N14 | 113.2° | 109.3° |
| C26 | C25 | N17 | 113.6° | 108.6° |
| C26 | C25 | H10 | 108.4° | 109.6° |
| C26 | C25 | H11 | 108.4° | 109.8° |
| C25 | C26 | H12 | 108.5° | 109.5° |
| C25 | C26 | H13 | 108.5° | 109.5° |
| C26 | N14 | C13 | 106.4° | 111.0° |
| C26 | N14 | C15 | 113.3° | 111.3° |
| N14 | C26 | H12 | 108.5° | 109.5° |
| N14 | C26 | H13 | 108.5° | 109.5° |
| C25 | N17 | C18 | 118.7° | 120.9° |
| C25 | N17 | C16 | 121.1° | 118.2° |
| N17 | C25 | H10 | 108.5° | 109.6° |
| N17 | C25 | H11 | 108.5° | 109.6° |
| O20 | C21 | C24 | 109.9° | 109.5° |
| O20 | C21 | C22 | 111.2° | 109.6° |
| C21 | O20 | C18 | 116.1° | 117.1° |
| C24 | C21 | C22 | 108.0° | 109.5° |
| C21 | C24 | H16 | 109.5° | 109.4° |
| C21 | C24 | H17 | 109.4° | 109.5° |
| C21 | C24 | H18 | 109.4° | 109.5° |
| C21 | C22 | H7 | 109.5° | 109.5° |
| C21 | C22 | H8 | 109.5° | 109.6° |
| C21 | C22 | H9 | 109.5° | 109.5° |
| O20 | C18 | N17 | 119.3° | 120.0° |
| O20 | C18 | O19 | 121.7° | 120.0° |
| C6' | C1' | C' | 119.6° | 120.0° |
| C1' | C6' | H33 | 120.0° | 120.0° |
| C1' | C' | OG | 108.9° | 109.4° |
| C1' | C' | H27 | 109.6° | 109.5° |
| C1' | C' | H28 | 109.6° | 109.5° |
| N14 | C13 | C12 | 108.5° | 109.4° |
| C13 | N14 | C15 | 108.8° | 111.0° |
| N14 | C13 | H14 | 109.7° | 109.5° |
| N14 | C13 | H15 | 109.7° | 109.5° |
| C13 | C12 | N | 116.2° | 120.0° |
| C13 | C12 | O27 | 120.5° | 120.0° |
| C12 | C13 | H14 | 109.7° | 109.5° |
| C12 | C13 | H15 | 109.7° | 109.5° |
| N14 | C15 | C16 | 112.2° | 109.3° |
| N14 | C15 | H3 | 108.8° | 109.5° |
| N14 | C15 | H4 | 108.8° | 109.5° |
| C18 | N17 | C16 | 120.1° | 120.9° |
| N17 | C18 | O19 | 119.0° | 120.0° |
| N17 | C16 | C15 | 111.2° | 108.6° |
| N17 | C16 | H5 | 109.0° | 109.6° |
| N17 | C16 | H6 | 109.0° | 109.8° |
| C' | OG | CB | 109.6° | 114.0° |
| OG | C' | H27 | 109.6° | 109.5° |
| OG | C' | H28 | 109.6° | 109.5° |
| OG | CB | CA | 104.7° | 109.5° |
| OG | CB | H25 | 110.7° | 109.4° |
| OG | CB | H26 | 110.6° | 109.5° |
| N | C12 | O27 | 123.3° | 120.0° |
| C12 | N | CA | 123.1° | 120.0° |
| C12 | N | H24 | 118.5° | 120.0° |
| N | CA | CB | 107.9° | 109.5° |
| N | CA | C | 112.2° | 109.4° |
| N | CA | H23 | 109.1° | 109.5° |
| CA | N | H24 | 118.4° | 120.0° |
| C16 | C15 | H3 | 108.8° | 109.5° |
| C16 | C15 | H4 | 108.8° | 109.5° |
| C15 | C16 | H5 | 109.0° | 109.7° |
| C15 | C16 | H6 | 109.0° | 109.7° |
| CB | CA | C | 110.6° | 109.5° |
| CB | CA | H23 | 108.5° | 109.5° |
| CA | CB | H25 | 110.6° | 109.5° |
| CA | CB | H26 | 110.7° | 109.5° |
| CA | C | O | 122.2° | 120.0° |
| CA | C | N1 | 113.5° | 120.0° |
| C | CA | H23 | 108.5° | 109.5° |
| O | C | N1 | 124.0° | 120.0° |
| C | N1 | CA1 | 124.4° | 120.0° |
| C | N1 | H34 | 117.8° | 120.0° |
| CM | OH | CZ | 113.3° | 117.0° |
| OH | CM | H40 | 109.5° | 109.5° |
| OH | CM | H41 | 109.5° | 109.5° |
| OH | CM | H42 | 109.5° | 109.5° |
| CD2 | CE2 | CZ | 119.0° | 120.0° |
| CE2 | CD2 | CG | 120.0° | 120.0° |
| CD2 | CE2 | H43 | 120.5° | 120.1° |
| CE2 | CD2 | H44 | 120.0° | 120.0° |
| CE2 | CZ | OH | 121.7° | 120.1° |
| CE2 | CZ | CE1 | 120.7° | 119.9° |
| CZ | CE2 | H43 | 120.5° | 120.0° |
| CD2 | CG | CB1 | 119.3° | 119.9° |
| CD2 | CG | CD1 | 120.9° | 120.1° |
| CG | CD2 | H44 | 120.0° | 120.0° |
| N1 | CA1 | CB1 | 109.5° | 109.5° |
| N1 | CA1 | C1 | 106.8° | 109.5° |
| CA1 | N1 | H34 | 117.8° | 120.1° |
| N1 | CA1 | H35 | 111.6° | 109.5° |
| OH | CZ | CE1 | 117.7° | 120.1° |
| CZ | CE1 | CD1 | 119.8° | 120.0° |
| CZ | CE1 | H39 | 120.1° | 120.0° |
| CB1 | CG | CD1 | 119.8° | 120.0° |
| CG | CB1 | CA1 | 110.5° | 109.5° |
| CG | CB1 | H36 | 109.2° | 109.5° |
| CG | CB1 | H37 | 109.2° | 109.5° |
| CG | CD1 | CE1 | 119.6° | 120.1° |
| CG | CD1 | H38 | 120.2° | 119.9° |
| CB1 | CA1 | C1 | 107.5° | 109.5° |
| CB1 | CA1 | H35 | 110.4° | 109.5° |
| CA1 | CB1 | H36 | 109.2° | 109.5° |
| CA1 | CB1 | H37 | 109.2° | 109.5° |
| CA1 | C1 | O1 | 121.1° | 120.0° |
| CA1 | C1 | N4 | 117.2° | 120.0° |
| C1 | CA1 | H35 | 110.8° | 109.4° |
| O1 | C1 | N4 | 121.6° | 120.0° |
| CE1 | CD1 | H38 | 120.2° | 120.0° |
| CD1 | CE1 | H39 | 120.1° | 120.0° |
| C1 | N4 | C3 | 118.4° | 120.0° |
| C1 | N4 | H45 | 120.8° | 120.1° |
| C50 | C51 | C52 | 107.4° | 109.5° |
| C51 | C50 | C49 | 108.9° | 109.5° |
| C50 | C51 | H55 | 110.0° | 109.4° |
| C50 | C51 | H56 | 110.0° | 109.4° |
| C51 | C50 | H57 | 109.6° | 109.5° |
| C51 | C50 | H58 | 109.6° | 109.5° |
| C51 | C52 | C53 | 107.3° | 109.5° |
| C51 | C52 | H53 | 110.0° | 109.5° |
| C51 | C52 | H54 | 110.0° | 109.5° |
| C52 | C51 | H55 | 110.0° | 109.5° |
| C52 | C51 | H56 | 110.0° | 109.5° |
| C50 | C49 | C54 | 109.5° | 109.5° |
| C50 | C49 | C48 | 109.0° | 109.5° |
| C50 | C49 | H48 | 110.9° | 109.5° |
| C49 | C50 | H57 | 109.6° | 109.5° |
| C49 | C50 | H58 | 109.6° | 109.5° |
| N4 | C3 | C48 | 110.2° | 109.5° |
| N4 | C3 | C2 | 112.4° | 109.5° |
| N4 | C3 | H1 | 109.4° | 109.4° |
| C3 | N4 | H45 | 120.8° | 119.9° |
| C57 | C11 | O58 | 108.8° | 109.0° |
| C57 | C11 | C2 | 113.1° | 109.0° |
| C57 | C11 | C56 | 102.3° | 108.9° |
| C11 | C57 | H69 | 109.5° | 109.4° |
| C11 | C57 | H70 | 109.4° | 109.5° |
| C11 | C57 | H71 | 109.5° | 109.5° |
| C52 | C53 | C54 | 111.4° | 109.5° |
| C52 | C53 | H51 | 109.0° | 109.4° |
| C52 | C53 | H52 | 109.0° | 109.5° |
| C53 | C52 | H53 | 110.0° | 109.5° |
| C53 | C52 | H54 | 110.0° | 109.4° |
| C54 | C49 | C48 | 106.3° | 109.5° |
| C49 | C54 | C53 | 113.3° | 109.5° |
| C54 | C49 | H48 | 110.6° | 109.5° |
| C49 | C54 | H49 | 108.5° | 109.4° |
| C49 | C54 | H50 | 108.5° | 109.5° |
| C49 | C48 | C3 | 115.3° | 109.5° |
| C49 | C48 | H46 | 108.0° | 109.5° |
| C49 | C48 | H47 | 108.0° | 109.5° |
| C48 | C49 | H48 | 110.4° | 109.4° |
| C53 | C54 | H49 | 108.5° | 109.4° |
| C53 | C54 | H50 | 108.5° | 109.5° |
| C54 | C53 | H51 | 109.0° | 109.5° |
| C54 | C53 | H52 | 109.0° | 109.5° |
| C48 | C3 | C2 | 107.9° | 109.5° |
| C48 | C3 | H1 | 108.5° | 109.5° |
| C3 | C48 | H46 | 108.0° | 109.5° |
| C3 | C48 | H47 | 108.0° | 109.4° |
| C3 | C2 | C11 | 115.2° | 109.8° |
| C3 | C2 | O55 | 105.2° | 109.8° |
| C3 | C2 | OG1 | 108.5° | 109.7° |
| C2 | C3 | H1 | 108.4° | 109.5° |
| O58 | C11 | C2 | 110.5° | 109.0° |
| O58 | C11 | C56 | 107.1° | 109.1° |
| C11 | O58 | H72 | 109.5° | 113.9° |
| C2 | C11 | C56 | 114.5° | 111.7° |
| C11 | C2 | O55 | 112.1° | 109.8° |
| C11 | C2 | OG1 | 108.4° | 108.0° |
| C11 | C56 | N2 | 111.9° | 112.2° |
| C11 | C56 | H67 | 108.8° | 108.9° |
| C11 | C56 | H68 | 108.8° | 108.9° |
| O55 | C2 | OG1 | 107.1° | 109.8° |
| C2 | O55 | H59 | 109.5° | 114.0° |
| C2 | OG1 | CB2 | 115.4° | 117.4° |
| C56 | N2 | CA2 | 102.6° | 114.2° |
| C56 | N2 | H65 | 111.2° | 111.0° |
| N2 | C56 | H67 | 108.9° | 108.9° |
| N2 | C56 | H68 | 108.9° | 108.9° |
| OG1 | CB2 | CA2 | 112.0° | 111.5° |
| OG1 | CB2 | CG2 | 107.2° | 109.1° |
| OG1 | CB2 | H60 | 110.4° | 109.1° |
| N2 | CA2 | CB2 | 108.2° | 109.1° |
| N2 | CA2 | C4 | 111.7° | 109.5° |
| N2 | CA2 | H64 | 110.9° | 109.6° |
| CA2 | N2 | H65 | 111.1° | 111.0° |
| CA2 | CB2 | CG2 | 111.0° | 109.1° |
| CB2 | CA2 | C4 | 107.0° | 109.6° |
| CA2 | CB2 | H60 | 107.6° | 109.1° |
| CB2 | CA2 | H64 | 108.8° | 109.5° |
| CG2 | CB2 | H60 | 108.6° | 109.0° |
| CB2 | CG2 | H61 | 109.5° | 109.5° |
| CB2 | CG2 | H62 | 109.5° | 109.5° |
| CB2 | CG2 | H63 | 109.5° | 109.5° |
| CA2 | C4 | O2 | 120.9° | 120.0° |
| CA2 | C4 | H2 | 119.5° | 120.0° |
| C4 | CA2 | H64 | 110.1° | 109.6° |
| O2 | C4 | H2 | 119.5° | 119.9° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H5 | C16 | H6 | 109.5° | 109.6° |
| H7 | C22 | H8 | 109.5° | 109.5° |
| H7 | C22 | H9 | 109.5° | 109.4° |
| H8 | C22 | H9 | 109.5° | 109.4° |
| H10 | C25 | H11 | 109.5° | 109.6° |
| H12 | C26 | H13 | 109.4° | 109.5° |
| H14 | C13 | H15 | 109.5° | 109.5° |
| H16 | C24 | H17 | 109.5° | 109.4° |
| H16 | C24 | H18 | 109.5° | 109.5° |
| H17 | C24 | H18 | 109.5° | 109.4° |
| H19 | C23 | H20 | 109.5° | 109.5° |
| H19 | C23 | H21 | 109.5° | 109.4° |
| H20 | C23 | H21 | 109.5° | 109.4° |
| H25 | CB | H26 | 109.5° | 109.5° |
| H27 | C' | H28 | 109.5° | 109.5° |
| H36 | CB1 | H37 | 109.4° | 109.4° |
| H40 | CM | H41 | 109.4° | 109.5° |
| H40 | CM | H42 | 109.5° | 109.5° |
| H41 | CM | H42 | 109.5° | 109.4° |
| H46 | C48 | H47 | 109.5° | 109.5° |
| H49 | C54 | H50 | 109.5° | 109.5° |
| H51 | C53 | H52 | 109.5° | 109.5° |
| H53 | C52 | H54 | 109.5° | 109.4° |
| H55 | C51 | H56 | 109.5° | 109.5° |
| H57 | C50 | H58 | 109.5° | 109.5° |
| H61 | CG2 | H62 | 109.5° | 109.4° |
| H61 | CG2 | H63 | 109.5° | 109.4° |
| H62 | CG2 | H63 | 109.4° | 109.5° |
| H67 | C56 | H68 | 109.5° | 108.9° |
| H69 | C57 | H70 | 109.4° | 109.4° |
| H69 | C57 | H71 | 109.5° | 109.6° |
| H70 | C57 | H71 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3' | C4' | C5' | H31 | 180.0° | 180.0° |
| C4' | C3' | C2' | H30 | 180.0° | 179.9° |
| C3' | C4' | C5' | C6' | 0.0° | 0.3° |
| C4' | C3' | C2' | C1' | 0.5° | 0.0° |
| C4' | C3' | C2' | H29 | 179.5° | 180.0° |
| C3' | C4' | C5' | H32 | 180.0° | 179.9° |
| C5' | C4' | C3' | C2' | 0.8° | 0.0° |
| C4' | C5' | C6' | H32 | 180.0° | 179.8° |
| C4' | C5' | C6' | C1' | 1.2° | 0.6° |
| C5' | C4' | C3' | H30 | 179.2° | 180.0° |
| C4' | C5' | C6' | H33 | 178.8° | 180.0° |
| C3' | C2' | C1' | H29 | 180.0° | 179.9° |
| C3' | C2' | C1' | C6' | 0.6° | 0.3° |
| C3' | C2' | C1' | C' | 179.7° | 180.0° |
| C2' | C3' | C4' | H31 | 179.2° | 179.9° |
| C23 | C21 | O20 | C24 | 119.9° | 119.9° |
| C23 | C21 | O20 | C22 | 120.5° | 120.0° |
| C23 | C21 | C24 | C22 | 118.0° | 119.9° |
| C23 | C21 | O20 | C18 | 174.4° | 60.0° |
| C23 | C21 | C22 | H7 | 180.0° | 60.1° |
| C23 | C21 | C22 | H8 | 60.0° | 60.0° |
| C23 | C21 | C22 | H9 | 60.0° | 180.0° |
| C23 | C21 | C24 | H16 | 180.0° | 180.0° |
| C23 | C21 | C24 | H17 | 60.0° | 60.0° |
| C23 | C21 | C24 | H18 | 60.0° | 60.0° |
| C21 | C23 | H19 | H20 | 120.0° | 120.1° |
| C21 | C23 | H19 | H21 | 120.0° | 120.0° |
| C21 | C23 | H20 | H21 | 120.0° | 120.0° |
| C5' | C6' | C1' | C2' | 1.4° | 0.6° |
| C5' | C6' | C1' | H33 | 180.0° | 179.4° |
| C5' | C6' | C1' | C' | 179.5° | 179.7° |
| C6' | C5' | C4' | H31 | 180.0° | 179.8° |
| C2' | C1' | C6' | C' | 179.1° | 179.7° |
| C2' | C1' | C' | OG | 33.4° | 85.1° |
| C2' | C1' | C' | H27 | 86.5° | 34.9° |
| C2' | C1' | C' | H28 | 153.3° | 155.0° |
| C1' | C2' | C3' | H30 | 179.5° | 180.0° |
| C2' | C1' | C6' | H33 | 178.6° | 180.0° |
| C25 | C26 | N14 | H12 | 120.6° | 120.0° |
| C25 | C26 | N14 | H13 | 120.6° | 120.0° |
| C26 | C25 | N17 | H10 | 120.6° | 119.7° |
| C26 | C25 | N17 | H11 | 120.6° | 119.9° |
| C25 | C26 | N14 | C13 | 172.3° | 172.7° |
| C25 | C26 | N14 | C15 | 52.8° | 63.1° |
| C26 | C25 | N17 | C18 | 149.8° | 128.8° |
| C26 | C25 | N17 | C16 | 32.3° | 51.1° |
| C26 | C25 | H10 | H11 | 118.1° | 120.6° |
| C25 | C26 | H12 | H13 | 118.3° | 120.1° |
| N14 | C26 | C25 | N17 | 38.1° | 53.8° |
| C26 | N14 | C13 | C15 | 122.4° | 124.3° |
| C26 | N14 | C13 | C12 | 165.2° | 170.0° |
| C26 | N14 | C15 | C16 | 58.8° | 63.1° |
| C26 | N14 | C15 | H3 | 179.2° | 56.9° |
| C26 | N14 | C15 | H4 | 61.6° | 176.9° |
| N14 | C26 | C25 | H10 | 158.7° | 173.5° |
| N14 | C26 | C25 | H11 | 82.6° | 66.0° |
| N14 | C26 | H12 | H13 | 118.3° | 120.0° |
| C26 | N14 | C13 | H14 | 45.4° | 50.0° |
| C26 | N14 | C13 | H15 | 74.9° | 70.0° |
| C25 | N17 | C18 | O20 | 1.5° | 179.9° |
| C25 | N17 | C18 | C16 | 177.9° | 179.9° |
| C25 | N17 | C18 | O19 | 177.3° | 0.1° |
| C25 | N17 | C16 | C15 | 37.4° | 51.1° |
| C25 | N17 | C16 | H5 | 157.6° | 68.6° |
| C25 | N17 | C16 | H6 | 82.9° | 171.0° |
| N17 | C25 | H10 | H11 | 118.2° | 120.4° |
| N17 | C25 | C26 | H12 | 158.6° | 173.8° |
| N17 | C25 | C26 | H13 | 82.5° | 66.1° |
| O20 | C21 | C24 | C22 | 121.5° | 120.1° |
| C21 | O20 | C18 | N17 | 163.1° | 180.0° |
| C21 | O20 | C18 | O19 | 18.2° | 0.0° |
| O20 | C21 | C22 | H7 | 58.8° | 59.9° |
| O20 | C21 | C22 | H8 | 178.8° | 180.0° |
| O20 | C21 | C22 | H9 | 61.2° | 60.0° |
| O20 | C21 | C24 | H16 | 59.6° | 60.1° |
| O20 | C21 | C24 | H17 | 60.4° | 179.9° |
| O20 | C21 | C24 | H18 | 179.6° | 59.9° |
| O20 | C21 | C23 | H19 | 180.0° | 59.9° |
| O20 | C21 | C23 | H20 | 60.0° | 180.0° |
| O20 | C21 | C23 | H21 | 60.0° | 60.0° |
| C24 | C21 | O20 | C18 | 54.5° | 59.9° |
| C24 | C21 | C22 | H7 | 61.8° | 180.0° |
| C24 | C21 | C22 | H8 | 58.2° | 59.9° |
| C24 | C21 | C22 | H9 | 178.2° | 60.1° |
| C21 | C24 | H16 | H17 | 120.0° | 120.0° |
| C21 | C24 | H16 | H18 | 120.0° | 120.0° |
| C21 | C24 | H17 | H18 | 120.0° | 120.0° |
| C24 | C21 | C23 | H19 | 59.6° | 60.1° |
| C24 | C21 | C23 | H20 | 60.5° | 60.0° |
| C24 | C21 | C23 | H21 | 179.5° | 180.0° |
| C22 | C21 | O20 | C18 | 65.0° | 180.0° |
| C21 | C22 | H7 | H8 | 120.0° | 120.1° |
| C21 | C22 | H7 | H9 | 120.0° | 120.0° |
| C21 | C22 | H8 | H9 | 120.0° | 120.0° |
| C22 | C21 | C24 | H16 | 61.9° | 60.0° |
| C22 | C21 | C24 | H17 | 178.1° | 59.9° |
| C22 | C21 | C24 | H18 | 58.1° | 179.9° |
| C22 | C21 | C23 | H19 | 58.0° | 180.0° |
| C22 | C21 | C23 | H20 | 178.0° | 60.0° |
| C22 | C21 | C23 | H21 | 62.0° | 60.0° |
| O20 | C18 | N17 | O19 | 178.8° | 180.0° |
| O20 | C18 | N17 | C16 | 179.4° | 0.0° |
| C6' | C1' | C' | OG | 145.8° | 95.2° |
| C6' | C1' | C' | H27 | 94.4° | 144.8° |
| C6' | C1' | C' | H28 | 25.8° | 24.8° |
| C6' | C1' | C2' | H29 | 179.4° | 179.7° |
| C1' | C6' | C5' | H32 | 178.8° | 179.6° |
| C1' | C' | OG | H27 | 119.9° | 120.0° |
| C1' | C' | OG | H28 | 119.9° | 120.0° |
| C1' | C' | OG | CB | 166.0° | 175.1° |
| C1' | C' | H27 | H28 | 120.3° | 120.0° |
| C' | C1' | C2' | H29 | 0.3° | 0.0° |
| C' | C1' | C6' | H33 | 0.6° | 0.3° |
| N14 | C13 | C12 | H14 | 119.8° | 120.0° |
| N14 | C13 | C12 | H15 | 119.8° | 120.0° |
| N14 | C13 | C12 | N | 154.0° | 180.0° |
| N14 | C13 | C12 | O27 | 26.9° | 0.0° |
| C13 | N14 | C15 | C16 | 176.9° | 172.8° |
| C13 | N14 | C15 | H3 | 62.7° | 67.3° |
| C13 | N14 | C15 | H4 | 56.5° | 52.8° |
| C13 | N14 | C26 | H12 | 67.1° | 52.7° |
| C13 | N14 | C26 | H13 | 51.7° | 67.3° |
| N14 | C13 | H14 | H15 | 120.4° | 120.0° |
| C12 | C13 | N14 | C15 | 72.4° | 65.7° |
| C13 | C12 | N | O27 | 179.0° | 180.0° |
| C13 | C12 | N | CA | 178.0° | 180.0° |
| C12 | C13 | H14 | H15 | 120.5° | 120.0° |
| C13 | C12 | N | H24 | 2.0° | 0.0° |
| N14 | C15 | C16 | N17 | 48.6° | 53.8° |
| N14 | C15 | C16 | H3 | 120.4° | 119.9° |
| N14 | C15 | C16 | H4 | 120.4° | 120.0° |
| N14 | C15 | H3 | H4 | 118.8° | 120.1° |
| N14 | C15 | C16 | H5 | 168.9° | 65.9° |
| N14 | C15 | C16 | H6 | 71.6° | 173.7° |
| C15 | N14 | C26 | H12 | 173.4° | 176.9° |
| C15 | N14 | C26 | H13 | 67.8° | 56.9° |
| C15 | N14 | C13 | H14 | 167.8° | 174.3° |
| C15 | N14 | C13 | H15 | 47.5° | 54.3° |
| C18 | N17 | C16 | C15 | 144.8° | 128.8° |
| C18 | N17 | C16 | H5 | 24.5° | 111.5° |
| C18 | N17 | C16 | H6 | 95.0° | 8.9° |
| C18 | N17 | C25 | H10 | 29.2° | 9.1° |
| C18 | N17 | C25 | H11 | 89.6° | 111.3° |
| C16 | N17 | C18 | O19 | 0.6° | 180.0° |
| N17 | C16 | C15 | H5 | 120.3° | 119.7° |
| N17 | C16 | C15 | H6 | 120.2° | 119.9° |
| N17 | C16 | C15 | H3 | 169.1° | 66.1° |
| N17 | C16 | C15 | H4 | 71.8° | 173.8° |
| N17 | C16 | H5 | H6 | 119.2° | 120.5° |
| C16 | N17 | C25 | H10 | 152.9° | 170.8° |
| C16 | N17 | C25 | H11 | 88.3° | 68.8° |
| C' | OG | CB | CA | 152.4° | 175.0° |
| C' | OG | CB | H25 | 33.1° | 65.0° |
| C' | OG | CB | H26 | 88.4° | 55.0° |
| OG | C' | H27 | H28 | 120.3° | 120.0° |
| OG | CB | CA | N | 57.6° | 64.7° |
| OG | CB | CA | H25 | 119.3° | 120.0° |
| OG | CB | CA | H26 | 119.2° | 120.0° |
| OG | CB | CA | C | 179.3° | 55.3° |
| OG | CB | CA | H23 | 60.5° | 175.3° |
| OG | CB | H25 | H26 | 122.2° | 120.0° |
| CB | OG | C' | H27 | 74.1° | 55.1° |
| CB | OG | C' | H28 | 46.1° | 65.0° |
| C12 | N | CA | H24 | 180.0° | 180.0° |
| C12 | N | CA | CB | 169.1° | 85.0° |
| C12 | N | CA | C | 47.0° | 155.0° |
| N | C12 | C13 | H14 | 86.1° | 60.1° |
| N | C12 | C13 | H15 | 34.2° | 60.0° |
| C12 | N | CA | H23 | 73.3° | 35.0° |
| O27 | C12 | N | CA | 1.0° | 0.0° |
| O27 | C12 | C13 | H14 | 92.9° | 120.0° |
| O27 | C12 | C13 | H15 | 146.8° | 120.0° |
| O27 | C12 | N | H24 | 179.0° | 180.0° |
| N | CA | CB | C | 123.0° | 120.0° |
| N | CA | CB | H23 | 118.1° | 120.0° |
| N | CA | C | H23 | 120.6° | 120.0° |
| N | CA | C | O | 14.6° | 2.6° |
| N | CA | C | N1 | 159.9° | 177.5° |
| N | CA | CB | H25 | 176.9° | 175.3° |
| N | CA | CB | H26 | 61.6° | 55.3° |
| C16 | C15 | H3 | H4 | 118.7° | 120.1° |
| C15 | C16 | H5 | H6 | 119.2° | 120.4° |
| CB | CA | C | H23 | 118.8° | 120.0° |
| CB | CA | C | O | 106.0° | 117.4° |
| CB | CA | C | N1 | 79.6° | 62.6° |
| CB | CA | N | H24 | 10.9° | 95.0° |
| CA | CB | H25 | H26 | 122.2° | 120.0° |
| CA | C | O | N1 | 173.9° | 180.0° |
| CA | C | N1 | CA1 | 179.9° | 174.3° |
| C | CA | N | H24 | 133.0° | 25.0° |
| C | CA | CB | H25 | 60.1° | 64.7° |
| C | CA | CB | H26 | 61.5° | 175.3° |
| CA | C | N1 | H34 | 0.1° | 5.6° |
| O | C | N1 | CA1 | 5.5° | 5.7° |
| O | C | CA | H23 | 135.2° | 122.6° |
| O | C | N1 | H34 | 174.4° | 174.3° |
| C | N1 | CA1 | H34 | 180.0° | 180.0° |
| C | N1 | CA1 | CB1 | 98.3° | 167.5° |
| C | N1 | CA1 | C1 | 145.6° | 72.6° |
| N1 | C | CA | H23 | 39.2° | 57.4° |
| C | N1 | CA1 | H35 | 24.4° | 47.4° |
| CM | OH | CZ | CE2 | 15.4° | 0.1° |
| CM | OH | CZ | CE1 | 165.8° | 180.0° |
| OH | CM | H40 | H41 | 120.0° | 120.0° |
| OH | CM | H40 | H42 | 120.0° | 120.0° |
| OH | CM | H41 | H42 | 120.0° | 120.0° |
| CD2 | CE2 | CZ | H43 | 180.0° | 179.4° |
| CE2 | CD2 | CG | H44 | 180.0° | 179.5° |
| CD2 | CE2 | CZ | OH | 179.3° | 179.8° |
| CD2 | CE2 | CZ | CE1 | 0.6° | 0.3° |
| CE2 | CD2 | CG | CB1 | 178.8° | 179.7° |
| CE2 | CD2 | CG | CD1 | 1.6° | 0.6° |
| CZ | CE2 | CD2 | CG | 0.6° | 0.6° |
| CE2 | CZ | OH | CE1 | 178.7° | 179.9° |
| CE2 | CZ | CE1 | CD1 | 0.8° | 0.1° |
| CE2 | CZ | CE1 | H39 | 179.2° | 179.9° |
| CZ | CE2 | CD2 | H44 | 179.4° | 179.9° |
| CD2 | CG | CB1 | CD1 | 179.6° | 179.7° |
| CD2 | CG | CB1 | CA1 | 93.6° | 90.3° |
| CD2 | CG | CD1 | CE1 | 1.4° | 0.3° |
| CD2 | CG | CB1 | H36 | 146.2° | 149.7° |
| CD2 | CG | CB1 | H37 | 26.5° | 29.7° |
| CD2 | CG | CD1 | H38 | 178.6° | 179.8° |
| CG | CD2 | CE2 | H43 | 179.3° | 180.0° |
| N1 | CA1 | CB1 | CG | 89.6° | 65.0° |
| N1 | CA1 | CB1 | C1 | 115.7° | 120.0° |
| N1 | CA1 | CB1 | H35 | 123.4° | 120.1° |
| N1 | CA1 | C1 | H35 | 121.8° | 120.0° |
| N1 | CA1 | C1 | O1 | 24.4° | 5.1° |
| N1 | CA1 | C1 | N4 | 157.6° | 174.7° |
| N1 | CA1 | CB1 | H36 | 150.2° | 55.0° |
| N1 | CA1 | CB1 | H37 | 30.6° | 175.0° |
| OH | CZ | CE1 | CD1 | 179.6° | 180.0° |
| OH | CZ | CE1 | H39 | 0.4° | 0.0° |
| CZ | OH | CM | H40 | 180.0° | 180.0° |
| CZ | OH | CM | H41 | 60.0° | 60.0° |
| CZ | OH | CM | H42 | 60.0° | 60.0° |
| OH | CZ | CE2 | H43 | 0.7° | 0.3° |
| CZ | CE1 | CD1 | CG | 0.2° | 0.1° |
| CZ | CE1 | CD1 | H39 | 180.0° | 180.0° |
| CZ | CE1 | CD1 | H38 | 179.8° | 180.0° |
| CE1 | CZ | CE2 | H43 | 179.4° | 179.8° |
| CG | CB1 | CA1 | H36 | 120.2° | 120.0° |
| CG | CB1 | CA1 | H37 | 120.2° | 120.0° |
| CG | CB1 | CA1 | C1 | 154.7° | 175.0° |
| CB1 | CG | CD1 | CE1 | 179.1° | 180.0° |
| CG | CB1 | CA1 | H35 | 33.7° | 55.1° |
| CG | CB1 | H36 | H37 | 119.5° | 120.0° |
| CB1 | CG | CD1 | H38 | 1.0° | 0.0° |
| CB1 | CG | CD2 | H44 | 1.2° | 0.2° |
| CD1 | CG | CB1 | CA1 | 86.8° | 90.0° |
| CG | CD1 | CE1 | H38 | 180.0° | 179.9° |
| CD1 | CG | CB1 | H36 | 33.4° | 30.0° |
| CD1 | CG | CB1 | H37 | 153.0° | 150.0° |
| CG | CD1 | CE1 | H39 | 179.9° | 179.9° |
| CD1 | CG | CD2 | H44 | 178.4° | 179.9° |
| CB1 | CA1 | C1 | H35 | 120.7° | 120.0° |
| CB1 | CA1 | C1 | O1 | 93.1° | 114.9° |
| CB1 | CA1 | C1 | N4 | 84.9° | 65.4° |
| CB1 | CA1 | N1 | H34 | 81.7° | 12.5° |
| CA1 | CB1 | H36 | H37 | 119.5° | 120.0° |
| CA1 | C1 | O1 | N4 | 177.9° | 179.7° |
| CA1 | C1 | N4 | C3 | 176.6° | 176.4° |
| C1 | CA1 | N1 | H34 | 34.4° | 107.4° |
| C1 | CA1 | CB1 | H36 | 34.5° | 65.0° |
| C1 | CA1 | CB1 | H37 | 85.1° | 55.0° |
| CA1 | C1 | N4 | H45 | 3.4° | 3.7° |
| O1 | C1 | N4 | C3 | 1.4° | 3.9° |
| O1 | C1 | CA1 | H35 | 146.2° | 125.1° |
| O1 | C1 | N4 | H45 | 178.5° | 176.1° |
| C1 | N4 | C3 | H45 | 180.0° | 180.0° |
| C1 | N4 | C3 | C48 | 117.2° | 97.6° |
| C1 | N4 | C3 | C2 | 122.4° | 142.4° |
| C1 | N4 | C3 | H1 | 2.0° | 22.4° |
| N4 | C1 | CA1 | H35 | 35.8° | 54.6° |
| C50 | C51 | C52 | H55 | 119.7° | 120.0° |
| C50 | C51 | C52 | H56 | 119.7° | 120.0° |
| C51 | C50 | C49 | H57 | 119.9° | 120.0° |
| C51 | C50 | C49 | H58 | 119.9° | 120.0° |
| C50 | C51 | C52 | C53 | 67.8° | 60.0° |
| C51 | C50 | C49 | C54 | 58.6° | 60.0° |
| C51 | C50 | C49 | C48 | 174.4° | 180.0° |
| C51 | C50 | C49 | H48 | 63.8° | 60.0° |
| C50 | C51 | C52 | H53 | 51.8° | 180.0° |
| C50 | C51 | C52 | H54 | 172.5° | 60.0° |
| C50 | C51 | H55 | H56 | 121.0° | 119.9° |
| C51 | C50 | H57 | H58 | 120.3° | 120.0° |
| C52 | C51 | C50 | C49 | 69.5° | 60.0° |
| C51 | C52 | C53 | H53 | 119.7° | 120.0° |
| C51 | C52 | C53 | H54 | 119.7° | 120.0° |
| C51 | C52 | C53 | C54 | 57.6° | 60.0° |
| C51 | C52 | C53 | H51 | 177.9° | 60.0° |
| C51 | C52 | C53 | H52 | 62.7° | 180.0° |
| C51 | C52 | H53 | H54 | 121.0° | 120.0° |
| C52 | C51 | H55 | H56 | 120.9° | 120.1° |
| C52 | C51 | C50 | H57 | 170.6° | 60.0° |
| C52 | C51 | C50 | H58 | 50.4° | 180.0° |
| C50 | C49 | C54 | C48 | 117.6° | 120.0° |
| C50 | C49 | C54 | H48 | 122.5° | 120.0° |
| C50 | C49 | C48 | H48 | 122.1° | 120.0° |
| C50 | C49 | C54 | C53 | 48.9° | 60.0° |
| C50 | C49 | C48 | C3 | 82.6° | 66.8° |
| C50 | C49 | C48 | H46 | 38.3° | 173.1° |
| C50 | C49 | C48 | H47 | 156.6° | 53.1° |
| C50 | C49 | C54 | H49 | 169.5° | 180.0° |
| C50 | C49 | C54 | H50 | 71.7° | 60.0° |
| C49 | C50 | C51 | H55 | 170.8° | 60.0° |
| C49 | C50 | C51 | H56 | 50.2° | 180.0° |
| C49 | C50 | H57 | H58 | 120.3° | 120.0° |
| N4 | C3 | C48 | C49 | 55.4° | 65.8° |
| N4 | C3 | C48 | C2 | 123.1° | 120.0° |
| N4 | C3 | C48 | H1 | 119.7° | 120.0° |
| N4 | C3 | C2 | H1 | 121.0° | 120.0° |
| N4 | C3 | C2 | C11 | 75.9° | 60.7° |
| N4 | C3 | C2 | O55 | 48.0° | 60.0° |
| N4 | C3 | C2 | OG1 | 162.4° | 179.3° |
| N4 | C3 | C48 | H46 | 176.2° | 54.2° |
| N4 | C3 | C48 | H47 | 65.5° | 174.3° |
| C57 | C11 | C2 | C3 | 3.8° | 91.1° |
| C57 | C11 | O58 | C2 | 124.7° | 118.9° |
| C57 | C11 | O58 | C56 | 109.9° | 118.9° |
| C57 | C11 | C2 | C56 | 116.7° | 120.5° |
| C57 | C11 | C2 | O55 | 124.0° | 148.2° |
| C57 | C11 | C2 | OG1 | 118.0° | 28.5° |
| C57 | C11 | C56 | N2 | 160.1° | 79.3° |
| C57 | C11 | C56 | H67 | 39.7° | 160.0° |
| C57 | C11 | C56 | H68 | 79.6° | 41.4° |
| C11 | C57 | H69 | H70 | 120.0° | 120.0° |
| C11 | C57 | H69 | H71 | 120.0° | 120.0° |
| C11 | C57 | H70 | H71 | 120.0° | 120.0° |
| C57 | C11 | O58 | H72 | 180.0° | 61.1° |
| C52 | C53 | C54 | C49 | 49.3° | 60.0° |
| C52 | C53 | C54 | H51 | 120.3° | 120.0° |
| C52 | C53 | C54 | H52 | 120.3° | 120.0° |
| C52 | C53 | C54 | H49 | 169.9° | 179.9° |
| C52 | C53 | C54 | H50 | 71.3° | 60.1° |
| C52 | C53 | H51 | H52 | 119.1° | 120.0° |
| C53 | C52 | H53 | H54 | 121.0° | 119.9° |
| C53 | C52 | C51 | H55 | 172.5° | 60.0° |
| C53 | C52 | C51 | H56 | 51.8° | 180.0° |
| C54 | C49 | C48 | H48 | 120.0° | 120.0° |
| C49 | C54 | C53 | H49 | 120.6° | 119.9° |
| C49 | C54 | C53 | H50 | 120.6° | 120.1° |
| C54 | C49 | C48 | C3 | 159.5° | 173.2° |
| C54 | C49 | C48 | H46 | 79.6° | 53.1° |
| C54 | C49 | C48 | H47 | 38.7° | 66.9° |
| C49 | C54 | H49 | H50 | 118.2° | 120.0° |
| C49 | C54 | C53 | H51 | 169.6° | 59.9° |
| C49 | C54 | C53 | H52 | 71.0° | 180.0° |
| C54 | C49 | C50 | H57 | 178.4° | 60.0° |
| C54 | C49 | C50 | H58 | 61.3° | 180.0° |
| C48 | C49 | C54 | C53 | 166.5° | 179.9° |
| C49 | C48 | C3 | H46 | 120.8° | 120.0° |
| C49 | C48 | C3 | H47 | 120.9° | 120.0° |
| C49 | C48 | C3 | C2 | 178.5° | 174.2° |
| C49 | C48 | C3 | H1 | 64.3° | 54.2° |
| C49 | C48 | H46 | H47 | 117.3° | 120.0° |
| C48 | C49 | C54 | H49 | 72.9° | 60.0° |
| C48 | C49 | C54 | H50 | 45.9° | 60.0° |
| C48 | C49 | C50 | H57 | 65.7° | 60.0° |
| C48 | C49 | C50 | H58 | 54.5° | 60.0° |
| C53 | C54 | C49 | H48 | 73.6° | 60.0° |
| C53 | C54 | H49 | H50 | 118.3° | 120.0° |
| C54 | C53 | H51 | H52 | 119.2° | 120.0° |
| C54 | C53 | C52 | H53 | 62.1° | 180.0° |
| C54 | C53 | C52 | H54 | 177.2° | 60.0° |
| C48 | C3 | C2 | H1 | 117.3° | 120.0° |
| C48 | C3 | C2 | C11 | 162.4° | 179.3° |
| C48 | C3 | C2 | O55 | 73.7° | 60.0° |
| C48 | C3 | C2 | OG1 | 40.7° | 60.7° |
| C48 | C3 | N4 | H45 | 62.8° | 82.4° |
| C3 | C48 | H46 | H47 | 117.4° | 120.0° |
| C3 | C48 | C49 | H48 | 39.6° | 53.1° |
| C3 | C2 | C11 | O58 | 118.5° | 27.8° |
| C3 | C2 | C11 | O55 | 120.3° | 120.7° |
| C3 | C2 | C11 | OG1 | 121.8° | 119.6° |
| C3 | C2 | C11 | C56 | 120.5° | 148.4° |
| C3 | C2 | O55 | OG1 | 115.4° | 120.7° |
| C3 | C2 | OG1 | CB2 | 163.7° | 159.6° |
| C2 | C3 | N4 | H45 | 57.6° | 37.6° |
| C2 | C3 | C48 | H46 | 60.7° | 65.7° |
| C2 | C3 | C48 | H47 | 57.6° | 54.3° |
| C3 | C2 | O55 | H59 | 180.0° | 56.2° |
| O58 | C11 | C2 | C56 | 121.0° | 120.6° |
| O58 | C11 | C2 | O55 | 1.8° | 92.9° |
| O58 | C11 | C2 | OG1 | 119.7° | 147.4° |
| O58 | C11 | C56 | N2 | 45.7° | 161.8° |
| O58 | C11 | C56 | H67 | 74.7° | 41.1° |
| O58 | C11 | C56 | H68 | 166.1° | 77.6° |
| O58 | C11 | C57 | H69 | 180.0° | 36.9° |
| O58 | C11 | C57 | H70 | 60.0° | 156.9° |
| O58 | C11 | C57 | H71 | 60.0° | 83.1° |
| C11 | C2 | O55 | OG1 | 118.8° | 118.5° |
| C2 | C11 | C56 | N2 | 77.2° | 41.2° |
| C11 | C2 | OG1 | CB2 | 70.5° | 80.8° |
| C11 | C2 | C3 | H1 | 45.1° | 59.2° |
| C11 | C2 | O55 | H59 | 54.2° | 177.0° |
| C2 | C11 | C56 | H67 | 162.4° | 79.5° |
| C2 | C11 | C56 | H68 | 43.2° | 161.9° |
| C2 | C11 | C57 | H69 | 56.8° | 82.0° |
| C2 | C11 | C57 | H70 | 176.8° | 37.9° |
| C2 | C11 | C57 | H71 | 63.2° | 158.0° |
| C2 | C11 | O58 | H72 | 55.2° | 180.0° |
| C56 | C11 | C2 | O55 | 119.3° | 27.7° |
| C56 | C11 | C2 | OG1 | 1.3° | 92.0° |
| C11 | C56 | N2 | H67 | 120.4° | 120.6° |
| C11 | C56 | N2 | H68 | 120.4° | 120.7° |
| C11 | C56 | N2 | CA2 | 100.4° | 41.8° |
| C11 | C56 | N2 | H65 | 18.4° | 84.5° |
| C11 | C56 | H67 | H68 | 118.9° | 118.7° |
| C56 | C11 | C57 | H69 | 66.9° | 155.9° |
| C56 | C11 | C57 | H70 | 53.1° | 84.2° |
| C56 | C11 | C57 | H71 | 173.1° | 35.8° |
| C56 | C11 | O58 | H72 | 70.1° | 57.7° |
| O55 | C2 | OG1 | CB2 | 50.6° | 38.9° |
| O55 | C2 | C3 | H1 | 169.1° | 180.0° |
| C2 | OG1 | CB2 | CA2 | 96.1° | 61.3° |
| C2 | OG1 | CB2 | CG2 | 141.9° | 178.2° |
| OG1 | C2 | C3 | H1 | 76.6° | 59.3° |
| OG1 | C2 | O55 | H59 | 64.6° | 64.5° |
| C2 | OG1 | CB2 | H60 | 23.8° | 59.2° |
| C56 | N2 | CA2 | H65 | 118.9° | 126.3° |
| C56 | N2 | CA2 | CB2 | 73.9° | 93.5° |
| C56 | N2 | CA2 | C4 | 168.6° | 146.6° |
| C56 | N2 | CA2 | H64 | 45.4° | 26.4° |
| N2 | C56 | H67 | H68 | 118.9° | 118.7° |
| OG1 | CB2 | CA2 | N2 | 74.7° | 75.9° |
| OG1 | CB2 | CA2 | CG2 | 119.8° | 120.5° |
| OG1 | CB2 | CA2 | H60 | 121.5° | 120.5° |
| OG1 | CB2 | CG2 | H60 | 119.3° | 119.0° |
| OG1 | CB2 | CA2 | C4 | 164.8° | 164.2° |
| OG1 | CB2 | CG2 | H61 | 180.0° | 60.0° |
| OG1 | CB2 | CG2 | H62 | 60.0° | 180.0° |
| OG1 | CB2 | CG2 | H63 | 60.0° | 60.0° |
| OG1 | CB2 | CA2 | H64 | 45.9° | 44.0° |
| N2 | CA2 | CB2 | C4 | 120.5° | 119.9° |
| N2 | CA2 | CB2 | H64 | 120.6° | 119.9° |
| N2 | CA2 | CB2 | CG2 | 165.5° | 163.6° |
| N2 | CA2 | C4 | H64 | 123.6° | 120.2° |
| N2 | CA2 | C4 | O2 | 39.0° | 0.4° |
| N2 | CA2 | C4 | H2 | 141.0° | 179.6° |
| N2 | CA2 | CB2 | H60 | 46.8° | 44.6° |
| CA2 | N2 | C56 | H67 | 139.2° | 162.5° |
| CA2 | N2 | C56 | H68 | 19.9° | 78.9° |
| CA2 | CB2 | CG2 | H60 | 118.1° | 119.0° |
| CB2 | CA2 | C4 | H64 | 118.1° | 120.2° |
| CB2 | CA2 | C4 | O2 | 79.2° | 120.0° |
| CB2 | CA2 | C4 | H2 | 100.8° | 60.0° |
| CA2 | CB2 | CG2 | H61 | 57.3° | 178.1° |
| CA2 | CB2 | CG2 | H62 | 62.7° | 58.1° |
| CA2 | CB2 | CG2 | H63 | 177.4° | 62.0° |
| CB2 | CA2 | N2 | H65 | 45.0° | 32.9° |
| CG2 | CB2 | CA2 | C4 | 45.0° | 43.7° |
| CB2 | CG2 | H61 | H62 | 120.0° | 120.0° |
| CB2 | CG2 | H61 | H63 | 120.0° | 120.0° |
| CB2 | CG2 | H62 | H63 | 120.0° | 120.0° |
| CG2 | CB2 | CA2 | H64 | 74.0° | 76.5° |
| CA2 | C4 | O2 | H2 | 180.0° | 180.0° |
| C4 | CA2 | CB2 | H60 | 73.7° | 75.3° |
| C4 | CA2 | N2 | H65 | 72.5° | 87.0° |
| O2 | C4 | CA2 | H64 | 162.6° | 119.8° |
| H1 | C3 | N4 | H45 | 178.0° | 157.6° |
| H1 | C3 | C48 | H46 | 56.5° | 174.2° |
| H1 | C3 | C48 | H47 | 174.8° | 65.8° |
| H2 | C4 | CA2 | H64 | 17.3° | 60.1° |
| H3 | C15 | C16 | H5 | 70.7° | 174.2° |
| H3 | C15 | C16 | H6 | 48.8° | 53.8° |
| H4 | C15 | C16 | H5 | 48.5° | 54.1° |
| H4 | C15 | C16 | H6 | 168.0° | 66.3° |
| H7 | C22 | H8 | H9 | 120.0° | 119.9° |
| H10 | C25 | C26 | H12 | 80.7° | 66.5° |
| H10 | C25 | C26 | H13 | 38.1° | 53.6° |
| H11 | C25 | C26 | H12 | 38.0° | 53.9° |
| H11 | C25 | C26 | H13 | 156.9° | 174.1° |
| H16 | C24 | H17 | H18 | 120.0° | 120.0° |
| H19 | C23 | H20 | H21 | 120.0° | 119.9° |
| H23 | CA | N | H24 | 106.8° | 145.0° |
| H23 | CA | CB | H25 | 58.8° | 55.3° |
| H23 | CA | CB | H26 | 179.7° | 64.7° |
| H29 | C2' | C3' | H30 | 0.5° | 0.1° |
| H30 | C3' | C4' | H31 | 0.8° | 0.0° |
| H31 | C4' | C5' | H32 | 0.0° | 0.0° |
| H32 | C5' | C6' | H33 | 1.2° | 0.2° |
| H34 | N1 | CA1 | H35 | 155.6° | 132.6° |
| H35 | CA1 | CB1 | H36 | 86.4° | 175.1° |
| H35 | CA1 | CB1 | H37 | 153.9° | 64.9° |
| H38 | CD1 | CE1 | H39 | 0.1° | 0.0° |
| H40 | CM | H41 | H42 | 120.0° | 120.0° |
| H43 | CE2 | CD2 | H44 | 0.6° | 0.5° |
| H46 | C48 | C49 | H48 | 160.4° | 66.9° |
| H47 | C48 | C49 | H48 | 81.3° | 173.1° |
| H48 | C49 | C54 | H49 | 46.9° | 60.0° |
| H48 | C49 | C54 | H50 | 165.8° | 180.0° |
| H48 | C49 | C50 | H57 | 56.1° | 180.0° |
| H48 | C49 | C50 | H58 | 176.3° | 60.0° |
| H49 | C54 | C53 | H51 | 69.9° | 60.0° |
| H49 | C54 | C53 | H52 | 49.6° | 60.1° |
| H50 | C54 | C53 | H51 | 49.0° | 180.0° |
| H50 | C54 | C53 | H52 | 168.4° | 59.9° |
| H51 | C53 | C52 | H53 | 58.2° | 60.0° |
| H51 | C53 | C52 | H54 | 62.5° | 180.0° |
| H52 | C53 | C52 | H53 | 177.6° | 60.0° |
| H52 | C53 | C52 | H54 | 56.9° | 60.0° |
| H53 | C52 | C51 | H55 | 67.9° | 60.0° |
| H53 | C52 | C51 | H56 | 171.5° | 60.0° |
| H54 | C52 | C51 | H55 | 52.8° | 180.0° |
| H54 | C52 | C51 | H56 | 67.8° | 60.0° |
| H55 | C51 | C50 | H57 | 50.9° | 179.9° |
| H55 | C51 | C50 | H58 | 69.3° | 60.0° |
| H56 | C51 | C50 | H57 | 69.7° | 60.0° |
| H56 | C51 | C50 | H58 | 170.1° | 60.0° |
| H60 | CB2 | CG2 | H61 | 60.7° | 59.0° |
| H60 | CB2 | CG2 | H62 | 179.3° | 60.9° |
| H60 | CB2 | CG2 | H63 | 59.3° | 179.0° |
| H60 | CB2 | CA2 | H64 | 167.4° | 164.5° |
| H61 | CG2 | H62 | H63 | 120.0° | 120.0° |
| H64 | CA2 | N2 | H65 | 164.3° | 152.7° |
| H65 | N2 | C56 | H67 | 101.9° | 36.1° |
| H65 | N2 | C56 | H68 | 138.8° | 154.8° |
| H69 | C57 | H70 | H71 | 120.0° | 120.1° |
