QWE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.36Å | 1.42Å | Aromatic |
| C1 | C8A | sing | 1.41Å | 1.38Å | Aromatic |
| C1 | S | sing | 1.76Å | 1.88Å | |
| C2 | C3 | sing | 1.39Å | 1.37Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.36Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C4A | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C4A | C5 | doub | 1.41Å | 1.37Å | Aromatic |
| C4A | C8A | sing | 1.42Å | 1.45Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | N | sing | 1.39Å | 1.40Å | |
| C6 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C8A | doub | 1.41Å | 1.37Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N | CM1 | sing | 1.47Å | 1.48Å | |
| N | CM2 | sing | 1.47Å | 1.61Å | |
| CM1 | HM11 | sing | 1.09Å | 1.10Å | |
| CM1 | HM12 | sing | 1.09Å | 1.10Å | |
| CM1 | HM13 | sing | 1.09Å | 1.10Å | |
| CM2 | HM21 | sing | 1.09Å | 1.10Å | |
| CM2 | HM22 | sing | 1.09Å | 1.10Å | |
| CM2 | HM23 | sing | 1.09Å | 1.10Å | |
| S | O1S | doub | 1.42Å | 1.47Å | |
| S | O2S | doub | 1.42Å | 1.47Å | |
| N1 | CA | sing | 1.47Å | 1.50Å | |
| N1 | H | sing | 0.97Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.53Å | 1.52Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CD | NE | sing | 1.47Å | 1.45Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| NE | CZ | sing | 1.37Å | 1.32Å | |
| NE | HE | sing | 0.97Å | 1.00Å | |
| CZ | NH1 | sing | 1.33Å | 1.33Å | |
| CZ | NH2 | doub | 1.33Å | 1.33Å | |
| NH1 | HH11 | sing | 0.97Å | 1.00Å | |
| NH1 | HH12 | sing | 0.97Å | 1.00Å | |
| NH2 | HH21 | sing | 0.97Å | 1.00Å | |
| NH2 | HH22 | sing | 0.97Å | 1.00Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| N11 | C21 | sing | 1.47Å | 1.56Å | |
| N11 | C61 | sing | 1.47Å | 1.55Å | |
| C21 | C31 | sing | 1.53Å | 1.54Å | |
| C21 | C1' | sing | 1.53Å | 1.36Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | C41 | sing | 1.53Å | 1.64Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C41 | C51 | sing | 1.53Å | 1.61Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H42 | sing | 1.09Å | 1.10Å | |
| C51 | C61 | sing | 1.53Å | 1.51Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C51 | H52 | sing | 1.09Å | 1.10Å | |
| C61 | H61 | sing | 1.09Å | 1.10Å | |
| C61 | H62 | sing | 1.09Å | 1.10Å | |
| C1' | C2' | sing | 1.53Å | 1.57Å | |
| C1' | H1'1 | sing | 1.09Å | 1.10Å | |
| C1' | H1'2 | sing | 1.09Å | 1.10Å | |
| C2' | H2'1 | sing | 1.09Å | 1.10Å | |
| C2' | H2'2 | sing | 1.09Å | 1.10Å | |
| S1 | C52 | sing | 1.71Å | 1.73Å | Aromatic |
| S1 | C22 | sing | 1.76Å | 1.75Å | Aromatic |
| O2 | C2'1 | doub | 1.21Å | 1.20Å | |
| C52 | C42 | doub | 1.34Å | 1.38Å | Aromatic |
| C52 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | C2'1 | sing | 1.46Å | 1.52Å | |
| C22 | N3 | doub | 1.31Å | 1.34Å | Aromatic |
| C42 | N3 | sing | 1.31Å | 1.35Å | Aromatic |
| C42 | H43 | sing | 1.08Å | 1.08Å | |
| S | N1 | sing | 1.66Å | 1.91Å | |
| C | N11 | sing | 1.35Å | 1.42Å | |
| C2' | C2'1 | sing | 1.51Å | 1.48Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C8A | 123.7° | 119.6° |
| C2 | C1 | S | 116.4° | 120.2° |
| C1 | C2 | C3 | 118.1° | 120.9° |
| C1 | C2 | H2 | 120.9° | 119.5° |
| C8A | C1 | S | 119.9° | 120.2° |
| C1 | C8A | C4A | 117.6° | 119.4° |
| C1 | C8A | C8 | 121.2° | 121.2° |
| C1 | S | O1S | 96.3° | 106.4° |
| C1 | S | O2S | 128.3° | 106.4° |
| C1 | S | N1 | 109.4° | 107.2° |
| C3 | C2 | H2 | 120.9° | 119.5° |
| C2 | C3 | C4 | 120.0° | 121.0° |
| C2 | C3 | H3 | 120.0° | 119.5° |
| C4 | C3 | H3 | 120.0° | 119.5° |
| C3 | C4 | C4A | 122.5° | 119.7° |
| C3 | C4 | H4 | 118.7° | 120.2° |
| C4A | C4 | H4 | 118.7° | 120.1° |
| C4 | C4A | C5 | 123.3° | 121.3° |
| C4 | C4A | C8A | 118.0° | 119.4° |
| C5 | C4A | C8A | 118.6° | 119.3° |
| C4A | C5 | C6 | 120.6° | 119.4° |
| C4A | C5 | N | 120.4° | 120.3° |
| C4A | C8A | C8 | 121.2° | 119.5° |
| C6 | C5 | N | 118.6° | 120.3° |
| C5 | C6 | C7 | 119.4° | 120.7° |
| C5 | C6 | H6 | 120.3° | 119.6° |
| C5 | N | CM1 | 124.0° | 111.0° |
| C5 | N | CM2 | 121.7° | 111.0° |
| C7 | C6 | H6 | 120.3° | 119.7° |
| C6 | C7 | C8 | 121.8° | 121.1° |
| C6 | C7 | H7 | 119.1° | 119.4° |
| C8 | C7 | H7 | 119.1° | 119.5° |
| C7 | C8 | C8A | 118.2° | 120.0° |
| C7 | C8 | H8 | 120.9° | 120.0° |
| C8A | C8 | H8 | 120.9° | 120.0° |
| CM1 | N | CM2 | 107.0° | 111.0° |
| N | CM1 | HM11 | 109.5° | 109.4° |
| N | CM1 | HM12 | 109.5° | 109.5° |
| N | CM1 | HM13 | 109.5° | 109.5° |
| N | CM2 | HM21 | 109.5° | 109.5° |
| N | CM2 | HM22 | 109.5° | 109.5° |
| N | CM2 | HM23 | 109.5° | 109.5° |
| HM11 | CM1 | HM12 | 109.5° | 109.5° |
| HM11 | CM1 | HM13 | 109.4° | 109.5° |
| HM12 | CM1 | HM13 | 109.5° | 109.5° |
| HM21 | CM2 | HM22 | 109.4° | 109.4° |
| HM21 | CM2 | HM23 | 109.5° | 109.5° |
| HM22 | CM2 | HM23 | 109.5° | 109.4° |
| O1S | S | O2S | 123.4° | 123.2° |
| O1S | S | N1 | 108.1° | 106.4° |
| O2S | S | N1 | 89.8° | 106.4° |
| CA | N1 | H | 109.2° | 120.0° |
| N1 | CA | CB | 109.8° | 109.5° |
| N1 | CA | C | 105.3° | 109.5° |
| N1 | CA | HA | 112.8° | 109.5° |
| CA | N1 | S | 110.4° | 120.0° |
| H | N1 | S | 109.1° | 120.0° |
| CB | CA | C | 111.8° | 109.4° |
| CB | CA | HA | 106.4° | 109.5° |
| CA | CB | CG | 112.9° | 109.5° |
| CA | CB | HB2 | 108.4° | 109.5° |
| CA | CB | HB3 | 108.4° | 109.5° |
| C | CA | HA | 110.9° | 109.5° |
| CA | C | O | 114.8° | 120.0° |
| CA | C | N11 | 120.7° | 120.0° |
| CG | CB | HB2 | 108.4° | 109.4° |
| CG | CB | HB3 | 108.3° | 109.4° |
| CB | CG | CD | 109.4° | 109.5° |
| CB | CG | HG2 | 109.5° | 109.5° |
| CB | CG | HG3 | 109.5° | 109.5° |
| HB2 | CB | HB3 | 110.5° | 109.5° |
| CD | CG | HG2 | 109.5° | 109.4° |
| CD | CG | HG3 | 109.5° | 109.4° |
| CG | CD | NE | 106.4° | 109.4° |
| CG | CD | HD2 | 110.5° | 109.4° |
| CG | CD | HD3 | 110.5° | 109.4° |
| HG2 | CG | HG3 | 109.4° | 109.5° |
| NE | CD | HD2 | 110.5° | 109.5° |
| NE | CD | HD3 | 110.5° | 109.5° |
| CD | NE | CZ | 129.0° | 119.9° |
| CD | NE | HE | 115.5° | 120.0° |
| HD2 | CD | HD3 | 108.4° | 109.5° |
| CZ | NE | HE | 115.5° | 120.0° |
| NE | CZ | NH1 | 119.6° | 120.0° |
| NE | CZ | NH2 | 118.1° | 120.0° |
| NH1 | CZ | NH2 | 122.3° | 120.0° |
| CZ | NH1 | HH11 | 120.0° | 120.0° |
| CZ | NH1 | HH12 | 120.0° | 120.0° |
| CZ | NH2 | HH21 | 120.0° | 120.0° |
| CZ | NH2 | HH22 | 120.0° | 120.0° |
| HH11 | NH1 | HH12 | 120.0° | 120.1° |
| HH21 | NH2 | HH22 | 120.0° | 120.0° |
| O | C | N11 | 124.2° | 120.0° |
| C21 | N11 | C61 | 123.1° | 118.7° |
| N11 | C21 | C31 | 104.5° | 108.8° |
| N11 | C21 | C1' | 116.0° | 109.5° |
| N11 | C21 | H21 | 108.3° | 109.6° |
| C21 | N11 | C | 116.6° | 120.6° |
| N11 | C61 | C51 | 109.3° | 109.1° |
| N11 | C61 | H61 | 109.5° | 109.6° |
| N11 | C61 | H62 | 109.5° | 109.6° |
| C61 | N11 | C | 119.4° | 120.7° |
| C31 | C21 | C1' | 108.6° | 109.6° |
| C31 | C21 | H21 | 115.7° | 109.6° |
| C21 | C31 | C41 | 112.9° | 109.3° |
| C21 | C31 | H31 | 108.4° | 109.5° |
| C21 | C31 | H32 | 108.4° | 109.5° |
| C1' | C21 | H21 | 104.2° | 109.7° |
| C21 | C1' | C2' | 116.1° | 109.4° |
| C21 | C1' | H1'1 | 107.3° | 109.5° |
| C21 | C1' | H1'2 | 107.4° | 109.5° |
| C41 | C31 | H31 | 108.4° | 109.5° |
| C41 | C31 | H32 | 108.4° | 109.5° |
| C31 | C41 | C51 | 113.7° | 109.6° |
| C31 | C41 | H41 | 108.1° | 109.5° |
| C31 | C41 | H42 | 108.1° | 109.4° |
| H31 | C31 | H32 | 110.5° | 109.6° |
| C51 | C41 | H41 | 108.1° | 109.5° |
| C51 | C41 | H42 | 108.1° | 109.4° |
| C41 | C51 | C61 | 111.2° | 109.3° |
| C41 | C51 | H51 | 108.9° | 109.5° |
| C41 | C51 | H52 | 108.9° | 109.5° |
| H41 | C41 | H42 | 110.8° | 109.4° |
| C61 | C51 | H51 | 108.9° | 109.6° |
| C61 | C51 | H52 | 108.9° | 109.3° |
| C51 | C61 | H61 | 109.5° | 109.5° |
| C51 | C61 | H62 | 109.5° | 109.4° |
| H51 | C51 | H52 | 110.0° | 109.6° |
| H61 | C61 | H62 | 109.4° | 109.7° |
| C2' | C1' | H1'1 | 107.3° | 109.4° |
| C2' | C1' | H1'2 | 107.3° | 109.5° |
| C1' | C2' | H2'1 | 110.3° | 109.5° |
| C1' | C2' | H2'2 | 110.3° | 109.5° |
| C1' | C2' | C2'1 | 106.9° | 109.5° |
| H1'1 | C1' | H1'2 | 111.5° | 109.5° |
| H2'1 | C2' | H2'2 | 108.6° | 109.5° |
| H2'1 | C2' | C2'1 | 110.3° | 109.5° |
| H2'2 | C2' | C2'1 | 110.3° | 109.4° |
| C52 | S1 | C22 | 86.3° | 90.3° |
| S1 | C52 | C42 | 111.2° | 109.1° |
| S1 | C52 | H5 | 124.4° | 125.4° |
| S1 | C22 | C2'1 | 117.4° | 125.6° |
| S1 | C22 | N3 | 118.0° | 108.9° |
| O2 | C2'1 | C22 | 118.3° | 120.0° |
| O2 | C2'1 | C2' | 120.6° | 120.0° |
| C42 | C52 | H5 | 124.4° | 125.5° |
| C52 | C42 | N3 | 117.4° | 115.8° |
| C52 | C42 | H43 | 121.3° | 122.1° |
| C2'1 | C22 | N3 | 116.6° | 125.5° |
| C22 | C2'1 | C2' | 121.0° | 120.0° |
| C22 | N3 | C42 | 106.9° | 115.9° |
| N3 | C42 | H43 | 121.3° | 122.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C8A | S | 177.0° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.7° | 0.0° |
| C1 | C2 | C3 | H3 | 179.3° | 180.0° |
| C2 | C1 | C8A | C4A | 1.2° | 0.0° |
| C2 | C1 | C8A | C8 | 178.2° | 180.0° |
| C2 | C1 | S | O1S | 1.8° | 2.5° |
| C2 | C1 | S | O2S | 144.2° | 130.5° |
| C2 | C1 | S | N1 | 109.9° | 116.0° |
| C8A | C1 | C2 | C3 | 1.8° | 0.0° |
| C8A | C1 | C2 | H2 | 178.2° | 179.9° |
| C1 | C8A | C4A | C4 | 0.6° | 0.0° |
| C1 | C8A | C4A | C5 | 175.9° | 180.0° |
| C1 | C8A | C4A | C8 | 179.4° | 180.0° |
| C1 | C8A | C8 | C7 | 177.6° | 180.0° |
| C1 | C8A | C8 | H8 | 2.4° | 0.1° |
| C8A | C1 | S | O1S | 179.0° | 177.2° |
| C8A | C1 | S | O2S | 38.6° | 49.8° |
| C8A | C1 | S | N1 | 67.3° | 63.7° |
| S | C1 | C2 | C3 | 179.0° | 179.8° |
| S | C1 | C2 | H2 | 1.0° | 0.3° |
| S | C1 | C8A | C4A | 178.2° | 179.8° |
| S | C1 | C8A | C8 | 1.2° | 0.3° |
| C1 | S | O1S | O2S | 145.0° | 123.0° |
| C1 | S | O1S | N1 | 112.9° | 114.1° |
| C1 | S | O2S | N1 | 114.9° | 114.1° |
| C1 | S | N1 | CA | 66.6° | 64.4° |
| C1 | S | N1 | H | 53.4° | 115.5° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C4A | 1.0° | 0.0° |
| C2 | C3 | C4 | H4 | 179.0° | 180.0° |
| H2 | C2 | C3 | C4 | 179.3° | 179.9° |
| H2 | C2 | C3 | H3 | 0.7° | 0.1° |
| C3 | C4 | C4A | H4 | 180.0° | 180.0° |
| C3 | C4 | C4A | C5 | 174.6° | 180.0° |
| C3 | C4 | C4A | C8A | 1.7° | 0.0° |
| H3 | C3 | C4 | C4A | 178.9° | 180.0° |
| H3 | C3 | C4 | H4 | 1.0° | 0.0° |
| C4 | C4A | C5 | C8A | 176.3° | 180.0° |
| C4 | C4A | C5 | C6 | 177.7° | 180.0° |
| C4 | C4A | C5 | N | 5.3° | 0.0° |
| C4 | C4A | C8A | C8 | 180.0° | 180.0° |
| H4 | C4 | C4A | C5 | 5.4° | 0.0° |
| H4 | C4 | C4A | C8A | 178.3° | 180.0° |
| C4A | C5 | C6 | N | 172.5° | 180.0° |
| C4A | C5 | C6 | C7 | 2.1° | 0.0° |
| C4A | C5 | C6 | H6 | 177.9° | 180.0° |
| C5 | C4A | C8A | C8 | 3.5° | 0.0° |
| C4A | C5 | N | CM1 | 58.8° | 120.0° |
| C4A | C5 | N | CM2 | 87.5° | 116.0° |
| C8A | C4A | C5 | C6 | 1.4° | 0.0° |
| C8A | C4A | C5 | N | 170.9° | 180.0° |
| C4A | C8A | C8 | C7 | 1.8° | 0.0° |
| C4A | C8A | C8 | H8 | 178.1° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 3.9° | 0.0° |
| C5 | C6 | C7 | H7 | 176.1° | 179.9° |
| C6 | C5 | N | CM1 | 113.8° | 60.1° |
| C6 | C5 | N | CM2 | 100.0° | 63.9° |
| N | C5 | C6 | C7 | 174.6° | 179.9° |
| N | C5 | C6 | H6 | 5.4° | 0.0° |
| C5 | N | CM1 | CM2 | 150.4° | 124.0° |
| C5 | N | CM1 | HM11 | 180.0° | 60.0° |
| C5 | N | CM1 | HM12 | 60.0° | 180.0° |
| C5 | N | CM1 | HM13 | 60.0° | 60.0° |
| C5 | N | CM2 | HM21 | 180.0° | 60.0° |
| C5 | N | CM2 | HM22 | 60.0° | 180.0° |
| C5 | N | CM2 | HM23 | 60.0° | 60.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C8A | 1.9° | 0.0° |
| C6 | C7 | C8 | H8 | 178.1° | 180.0° |
| H6 | C6 | C7 | C8 | 176.1° | 180.0° |
| H6 | C6 | C7 | H7 | 3.9° | 0.0° |
| C7 | C8 | C8A | H8 | 180.0° | 179.9° |
| H7 | C7 | C8 | C8A | 178.1° | 180.0° |
| H7 | C7 | C8 | H8 | 1.8° | 0.1° |
| N | CM1 | HM11 | HM12 | 120.0° | 120.0° |
| N | CM1 | HM11 | HM13 | 120.0° | 120.0° |
| N | CM1 | HM12 | HM13 | 120.0° | 120.0° |
| CM1 | N | CM2 | HM21 | 28.8° | 176.0° |
| CM1 | N | CM2 | HM22 | 148.7° | 56.1° |
| CM1 | N | CM2 | HM23 | 91.2° | 64.0° |
| CM2 | N | CM1 | HM11 | 29.6° | 64.0° |
| CM2 | N | CM1 | HM12 | 90.4° | 56.0° |
| CM2 | N | CM1 | HM13 | 149.6° | 176.1° |
| N | CM2 | HM21 | HM22 | 120.0° | 120.0° |
| N | CM2 | HM21 | HM23 | 120.0° | 120.1° |
| N | CM2 | HM22 | HM23 | 120.0° | 120.1° |
| HM11 | CM1 | HM12 | HM13 | 120.0° | 120.0° |
| HM21 | CM2 | HM22 | HM23 | 120.0° | 120.0° |
| O1S | S | O2S | N1 | 111.7° | 122.9° |
| O1S | S | N1 | CA | 37.2° | 49.1° |
| O1S | S | N1 | H | 157.2° | 131.0° |
| O2S | S | N1 | CA | 162.4° | 178.0° |
| O2S | S | N1 | H | 77.6° | 1.9° |
| CA | N1 | H | S | 120.7° | 179.9° |
| N1 | CA | CB | C | 116.4° | 120.0° |
| N1 | CA | CB | HA | 122.4° | 120.0° |
| N1 | CA | C | HA | 122.3° | 120.0° |
| N1 | CA | CB | CG | 47.3° | 63.1° |
| N1 | CA | CB | HB2 | 167.4° | 56.9° |
| N1 | CA | CB | HB3 | 72.6° | 176.9° |
| N1 | CA | C | O | 37.1° | 10.5° |
| N1 | CA | C | N11 | 148.8° | 169.4° |
| H | N1 | CA | CB | 93.9° | 61.3° |
| H | N1 | CA | C | 26.6° | 58.7° |
| H | N1 | CA | HA | 147.6° | 178.7° |
| CB | CA | C | HA | 118.6° | 120.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 120.0° | 120.0° |
| CA | CB | HB2 | HB3 | 118.6° | 120.1° |
| CA | CB | CG | CD | 171.5° | 176.0° |
| CA | CB | CG | HG2 | 51.4° | 56.0° |
| CA | CB | CG | HG3 | 68.5° | 64.0° |
| CB | CA | C | O | 82.0° | 109.5° |
| CB | CA | N1 | S | 146.2° | 118.8° |
| CB | CA | C | N11 | 92.0° | 70.6° |
| C | CA | CB | CG | 69.1° | 176.9° |
| C | CA | CB | HB2 | 51.0° | 63.1° |
| C | CA | CB | HB3 | 170.9° | 57.0° |
| CA | C | O | N11 | 173.8° | 179.9° |
| CA | C | N11 | C21 | 7.6° | 174.1° |
| CA | C | N11 | C61 | 177.0° | 5.6° |
| C | CA | N1 | S | 93.4° | 121.3° |
| HA | CA | CB | CG | 169.7° | 56.9° |
| HA | CA | CB | HB2 | 70.3° | 176.9° |
| HA | CA | CB | HB3 | 49.7° | 63.1° |
| HA | CA | C | O | 159.4° | 130.5° |
| HA | CA | N1 | S | 27.6° | 1.2° |
| HA | CA | C | N11 | 26.5° | 49.4° |
| CG | CB | HB2 | HB3 | 118.6° | 119.9° |
| CB | CG | CD | HG2 | 120.0° | 120.0° |
| CB | CG | CD | HG3 | 120.0° | 120.0° |
| CB | CG | HG2 | HG3 | 120.0° | 120.0° |
| CB | CG | CD | NE | 174.1° | 180.0° |
| CB | CG | CD | HD2 | 65.9° | 60.0° |
| CB | CG | CD | HD3 | 54.0° | 60.0° |
| HB2 | CB | CG | CD | 68.5° | 64.0° |
| HB2 | CB | CG | HG2 | 171.5° | 176.1° |
| HB2 | CB | CG | HG3 | 51.5° | 56.0° |
| HB3 | CB | CG | CD | 51.5° | 56.0° |
| HB3 | CB | CG | HG2 | 68.6° | 64.0° |
| HB3 | CB | CG | HG3 | 171.5° | 176.0° |
| CD | CG | HG2 | HG3 | 120.0° | 120.0° |
| CG | CD | NE | HD2 | 120.0° | 120.0° |
| CG | CD | NE | HD3 | 120.0° | 119.9° |
| CG | CD | HD2 | HD3 | 121.2° | 119.9° |
| CG | CD | NE | CZ | 74.6° | 180.0° |
| CG | CD | NE | HE | 105.4° | 0.0° |
| HG2 | CG | CD | NE | 54.1° | 60.0° |
| HG2 | CG | CD | HD2 | 174.1° | 180.0° |
| HG2 | CG | CD | HD3 | 66.0° | 60.0° |
| HG3 | CG | CD | NE | 65.9° | 60.0° |
| HG3 | CG | CD | HD2 | 54.1° | 60.0° |
| HG3 | CG | CD | HD3 | 174.1° | 180.0° |
| NE | CD | HD2 | HD3 | 121.2° | 120.1° |
| CD | NE | CZ | HE | 180.0° | 180.0° |
| CD | NE | CZ | NH1 | 6.0° | 0.0° |
| CD | NE | CZ | NH2 | 178.1° | 180.0° |
| HD2 | CD | NE | CZ | 45.5° | 60.0° |
| HD2 | CD | NE | HE | 134.5° | 119.9° |
| HD3 | CD | NE | CZ | 165.4° | 60.1° |
| HD3 | CD | NE | HE | 14.6° | 120.0° |
| NE | CZ | NH1 | NH2 | 175.8° | 180.0° |
| NE | CZ | NH1 | HH11 | 175.8° | 0.1° |
| NE | CZ | NH1 | HH12 | 4.2° | 180.0° |
| NE | CZ | NH2 | HH21 | 175.8° | 0.0° |
| NE | CZ | NH2 | HH22 | 4.1° | 180.0° |
| HE | NE | CZ | NH1 | 174.0° | 180.0° |
| HE | NE | CZ | NH2 | 1.9° | 0.0° |
| CZ | NH1 | HH11 | HH12 | 180.0° | 179.9° |
| NH1 | CZ | NH2 | HH21 | 0.0° | 179.9° |
| NH1 | CZ | NH2 | HH22 | 180.0° | 0.0° |
| NH2 | CZ | NH1 | HH11 | 0.0° | 179.9° |
| NH2 | CZ | NH1 | HH12 | 180.0° | 0.1° |
| CZ | NH2 | HH21 | HH22 | 179.9° | 180.0° |
| O | C | N11 | C21 | 165.9° | 5.8° |
| O | C | N11 | C61 | 3.5° | 174.5° |
| C21 | N11 | C61 | C | 168.6° | 179.7° |
| N11 | C21 | C31 | C1' | 124.4° | 119.7° |
| N11 | C21 | C31 | H21 | 119.0° | 119.8° |
| N11 | C21 | C1' | H21 | 118.9° | 120.3° |
| N11 | C21 | C31 | C41 | 49.8° | 54.7° |
| N11 | C21 | C31 | H31 | 70.2° | 174.6° |
| N11 | C21 | C31 | H32 | 169.8° | 65.3° |
| C21 | N11 | C61 | C51 | 55.1° | 53.3° |
| C21 | N11 | C61 | H61 | 64.9° | 173.1° |
| C21 | N11 | C61 | H62 | 175.1° | 66.5° |
| N11 | C21 | C1' | C2' | 162.0° | 178.1° |
| N11 | C21 | C1' | H1'1 | 42.0° | 61.9° |
| N11 | C21 | C1' | H1'2 | 78.0° | 58.2° |
| C61 | N11 | C21 | C31 | 54.9° | 53.4° |
| C61 | N11 | C21 | C1' | 64.6° | 173.1° |
| C61 | N11 | C21 | H21 | 178.8° | 66.5° |
| N11 | C61 | C51 | C41 | 47.5° | 54.4° |
| N11 | C61 | C51 | H61 | 120.0° | 119.9° |
| N11 | C61 | C51 | H62 | 120.0° | 119.9° |
| N11 | C61 | C51 | H51 | 72.5° | 174.5° |
| N11 | C61 | C51 | H52 | 167.5° | 65.4° |
| N11 | C61 | H61 | H62 | 120.1° | 120.4° |
| C31 | C21 | C1' | H21 | 123.8° | 120.4° |
| C21 | C31 | C41 | H31 | 120.0° | 119.9° |
| C21 | C31 | C41 | H32 | 120.0° | 120.0° |
| C21 | C31 | H31 | H32 | 118.6° | 120.1° |
| C21 | C31 | C41 | C51 | 53.9° | 61.4° |
| C21 | C31 | C41 | H41 | 173.9° | 58.7° |
| C21 | C31 | C41 | H42 | 66.1° | 178.6° |
| C31 | C21 | C1' | C2' | 80.7° | 58.8° |
| C31 | C21 | C1' | H1'1 | 159.3° | 178.8° |
| C31 | C21 | C1' | H1'2 | 39.2° | 61.1° |
| C31 | C21 | N11 | C | 136.2° | 126.4° |
| C1' | C21 | C31 | C41 | 74.6° | 174.4° |
| C1' | C21 | C31 | H31 | 165.4° | 65.7° |
| C1' | C21 | C31 | H32 | 45.4° | 54.5° |
| C21 | C1' | C2' | H1'1 | 120.0° | 120.0° |
| C21 | C1' | C2' | H1'2 | 120.0° | 120.0° |
| C21 | C1' | H1'1 | H1'2 | 117.3° | 120.0° |
| C21 | C1' | C2' | H2'1 | 5.8° | 57.4° |
| C21 | C1' | C2' | H2'2 | 125.8° | 62.7° |
| C1' | C21 | N11 | C | 104.3° | 6.6° |
| C21 | C1' | C2' | C2'1 | 114.2° | 177.4° |
| H21 | C21 | C31 | C41 | 168.8° | 65.2° |
| H21 | C21 | C31 | H31 | 48.8° | 54.7° |
| H21 | C21 | C31 | H32 | 71.2° | 174.9° |
| H21 | C21 | C1' | C2' | 43.1° | 61.6° |
| H21 | C21 | C1' | H1'1 | 76.9° | 58.4° |
| H21 | C21 | C1' | H1'2 | 163.1° | 178.5° |
| H21 | C21 | N11 | C | 12.3° | 113.8° |
| C41 | C31 | H31 | H32 | 118.6° | 120.1° |
| C31 | C41 | C51 | H41 | 120.0° | 120.1° |
| C31 | C41 | C51 | H42 | 120.0° | 120.0° |
| C31 | C41 | H41 | H42 | 118.3° | 119.9° |
| C31 | C41 | C51 | C61 | 51.0° | 61.2° |
| C31 | C41 | C51 | H51 | 69.0° | 178.7° |
| C31 | C41 | C51 | H52 | 171.0° | 58.5° |
| H31 | C31 | C41 | C51 | 66.1° | 178.7° |
| H31 | C31 | C41 | H41 | 53.9° | 61.2° |
| H31 | C31 | C41 | H42 | 173.8° | 58.7° |
| H32 | C31 | C41 | C51 | 173.9° | 58.6° |
| H32 | C31 | C41 | H41 | 66.1° | 178.6° |
| H32 | C31 | C41 | H42 | 53.9° | 61.4° |
| C51 | C41 | H41 | H42 | 118.2° | 119.9° |
| C41 | C51 | C61 | H51 | 120.0° | 120.1° |
| C41 | C51 | C61 | H52 | 120.0° | 119.8° |
| C41 | C51 | H51 | H52 | 119.3° | 120.1° |
| C41 | C51 | C61 | H61 | 72.5° | 174.3° |
| C41 | C51 | C61 | H62 | 167.5° | 65.5° |
| H41 | C41 | C51 | C61 | 171.0° | 58.8° |
| H41 | C41 | C51 | H51 | 51.0° | 61.3° |
| H41 | C41 | C51 | H52 | 69.0° | 178.6° |
| H42 | C41 | C51 | C61 | 69.0° | 178.8° |
| H42 | C41 | C51 | H51 | 171.0° | 58.7° |
| H42 | C41 | C51 | H52 | 51.0° | 61.5° |
| C61 | C51 | H51 | H52 | 119.3° | 120.0° |
| C51 | C61 | H61 | H62 | 120.1° | 120.1° |
| C51 | C61 | N11 | C | 136.3° | 126.4° |
| H51 | C51 | C61 | H61 | 167.5° | 65.6° |
| H51 | C51 | C61 | H62 | 47.5° | 54.6° |
| H52 | C51 | C61 | H61 | 47.5° | 54.5° |
| H52 | C51 | C61 | H62 | 72.5° | 174.7° |
| H61 | C61 | N11 | C | 103.8° | 6.6° |
| H62 | C61 | N11 | C | 16.2° | 113.8° |
| C2' | C1' | H1'1 | H1'2 | 117.2° | 120.0° |
| C1' | C2' | H2'1 | H2'2 | 121.0° | 120.0° |
| C1' | C2' | H2'1 | C2'1 | 117.9° | 120.0° |
| C1' | C2' | H2'2 | C2'1 | 117.9° | 120.0° |
| C1' | C2' | C2'1 | O2 | 28.7° | 0.0° |
| C1' | C2' | C2'1 | C22 | 154.2° | 180.0° |
| H1'1 | C1' | C2' | H2'1 | 114.2° | 177.3° |
| H1'1 | C1' | C2' | H2'2 | 5.9° | 57.3° |
| H1'1 | C1' | C2' | C2'1 | 125.8° | 62.7° |
| H1'2 | C1' | C2' | H2'1 | 125.9° | 62.6° |
| H1'2 | C1' | C2' | H2'2 | 114.1° | 177.4° |
| H1'2 | C1' | C2' | C2'1 | 5.9° | 57.4° |
| H2'1 | C2' | H2'2 | C2'1 | 121.1° | 120.0° |
| H2'1 | C2' | C2'1 | O2 | 148.6° | 120.0° |
| H2'1 | C2' | C2'1 | C22 | 34.3° | 60.0° |
| H2'2 | C2' | C2'1 | O2 | 91.3° | 120.0° |
| H2'2 | C2' | C2'1 | C22 | 85.8° | 60.0° |
| S1 | C52 | C42 | H5 | 180.0° | 180.0° |
| C52 | S1 | C22 | C2'1 | 143.7° | 179.9° |
| C52 | S1 | C22 | N3 | 4.2° | 0.0° |
| S1 | C52 | C42 | N3 | 0.5° | 0.1° |
| S1 | C52 | C42 | H43 | 179.5° | 180.0° |
| S1 | C22 | C2'1 | O2 | 174.8° | 0.1° |
| C22 | S1 | C52 | C42 | 1.9° | 0.0° |
| C22 | S1 | C52 | H5 | 178.1° | 180.0° |
| S1 | C22 | C2'1 | N3 | 148.4° | 179.9° |
| S1 | C22 | N3 | C42 | 5.1° | 0.1° |
| S1 | C22 | C2'1 | C2' | 2.3° | 180.0° |
| O2 | C2'1 | C22 | C2' | 177.2° | 179.9° |
| O2 | C2'1 | C22 | N3 | 36.8° | 180.0° |
| C52 | C42 | N3 | C22 | 3.4° | 0.1° |
| C52 | C42 | N3 | H43 | 180.0° | 179.9° |
| H5 | C52 | C42 | N3 | 179.5° | 179.9° |
| H5 | C52 | C42 | H43 | 0.5° | 0.0° |
| C2'1 | C22 | N3 | C42 | 143.1° | 180.0° |
| C22 | N3 | C42 | H43 | 176.6° | 180.0° |
| N3 | C22 | C2'1 | C2' | 146.0° | 0.1° |
