0DO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C2 | O1' | sing | 1.43Å | 1.43Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C1' | C2' | doub | 1.39Å | 1.41Å | Aromatic |
| C1' | C6' | sing | 1.39Å | 1.40Å | Aromatic |
| C1' | O1' | sing | 1.36Å | 1.33Å | |
| C2' | C3' | sing | 1.38Å | 1.40Å | Aromatic |
| C2' | CM2 | sing | 1.51Å | 1.48Å | |
| C3' | C4' | doub | 1.38Å | 1.40Å | Aromatic |
| C3' | H3' | sing | 1.08Å | 1.08Å | |
| C4' | C5' | sing | 1.38Å | 1.40Å | Aromatic |
| C4' | H4' | sing | 1.08Å | 1.08Å | |
| C5' | C6' | doub | 1.38Å | 1.40Å | Aromatic |
| C5' | H5' | sing | 1.08Å | 1.08Å | |
| C6' | CM6 | sing | 1.51Å | 1.53Å | |
| CM2 | HM21 | sing | 1.09Å | 1.10Å | |
| CM2 | HM22 | sing | 1.09Å | 1.10Å | |
| CM2 | HM23 | sing | 1.09Å | 1.10Å | |
| CM6 | HM61 | sing | 1.09Å | 1.10Å | |
| CM6 | HM62 | sing | 1.09Å | 1.10Å | |
| CM6 | HM63 | sing | 1.09Å | 1.10Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CA | C | sing | 1.53Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.43Å | 1.40Å | |
| C | CM | sing | 1.53Å | 1.51Å | |
| C | HC | sing | 1.09Å | 1.10Å | |
| OXT | HOR | sing | 0.97Å | 0.95Å | |
| CB | CG | sing | 1.51Å | 1.53Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | doub | 1.38Å | 1.40Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE2 | doub | 1.38Å | 1.40Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ | doub | 1.38Å | 1.39Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | CZ | sing | 1.38Å | 1.39Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| CM | HM2 | sing | 1.09Å | 1.10Å | |
| CM | HM3 | sing | 1.09Å | 1.10Å | |
| N1 | C21 | sing | 1.47Å | 1.49Å | |
| N1 | C6 | sing | 1.47Å | 1.47Å | |
| C21 | C3 | sing | 1.53Å | 1.50Å | |
| C21 | C7 | sing | 1.51Å | 1.51Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.48Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.46Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C7 | O | doub | 1.21Å | 1.27Å | |
| C7 | N2 | sing | 1.35Å | 1.39Å | |
| N2 | C1'1 | sing | 1.47Å | 1.41Å | |
| N2 | HN | sing | 0.97Å | 1.00Å | |
| C1'1 | C2'1 | sing | 1.53Å | 1.55Å | |
| C1'1 | C3'1 | sing | 1.53Å | 1.53Å | |
| C1'1 | C4'1 | sing | 1.53Å | 1.53Å | |
| C2'1 | H2'1 | sing | 1.09Å | 1.10Å | |
| C2'1 | H2'2 | sing | 1.09Å | 1.10Å | |
| C2'1 | H2'3 | sing | 1.09Å | 1.10Å | |
| C3'1 | H3'1 | sing | 1.09Å | 1.10Å | |
| C3'1 | H3'2 | sing | 1.09Å | 1.10Å | |
| C3'1 | H3'3 | sing | 1.09Å | 1.10Å | |
| C4'1 | H4'1 | sing | 1.09Å | 1.10Å | |
| C4'1 | H4'2 | sing | 1.09Å | 1.10Å | |
| C4'1 | H4'3 | sing | 1.09Å | 1.10Å | |
| N11 | C22 | doub | 1.32Å | 1.35Å | Aromatic |
| N11 | C61 | sing | 1.32Å | 1.32Å | Aromatic |
| C22 | C31 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | H23 | sing | 1.08Å | 1.08Å | |
| C31 | C41 | doub | 1.39Å | 1.38Å | Aromatic |
| C31 | H3 | sing | 1.08Å | 1.08Å | |
| C41 | C51 | sing | 1.39Å | 1.39Å | Aromatic |
| C41 | S | sing | 1.76Å | 1.70Å | |
| C51 | C61 | doub | 1.38Å | 1.39Å | Aromatic |
| C51 | H5 | sing | 1.08Å | 1.08Å | |
| C61 | H6 | sing | 1.08Å | 1.08Å | |
| S | O1S | doub | 1.42Å | 1.41Å | |
| S | O2S | doub | 1.42Å | 1.40Å | |
| C1 | N | sing | 1.35Å | 1.36Å | |
| CM | N1 | sing | 1.47Å | 1.42Å | |
| C4 | S | sing | 1.81Å | 1.78Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 118.8° | 120.0° |
| C1 | C2 | O1' | 107.8° | 109.5° |
| C1 | C2 | H21 | 110.0° | 109.5° |
| C1 | C2 | H22 | 110.1° | 109.5° |
| C2 | C1 | N | 117.4° | 120.0° |
| O1 | C1 | N | 123.7° | 120.0° |
| O1' | C2 | H21 | 110.0° | 109.5° |
| O1' | C2 | H22 | 110.0° | 109.4° |
| C2 | O1' | C1' | 116.5° | 117.0° |
| H21 | C2 | H22 | 108.9° | 109.4° |
| C2' | C1' | C6' | 119.1° | 120.0° |
| C2' | C1' | O1' | 122.4° | 120.0° |
| C1' | C2' | C3' | 121.4° | 119.9° |
| C1' | C2' | CM2 | 122.4° | 120.1° |
| C6' | C1' | O1' | 118.2° | 120.0° |
| C1' | C6' | C5' | 118.8° | 119.9° |
| C1' | C6' | CM6 | 120.2° | 120.1° |
| C3' | C2' | CM2 | 116.1° | 120.0° |
| C2' | C3' | C4' | 119.8° | 120.1° |
| C2' | C3' | H3' | 120.1° | 120.0° |
| C2' | CM2 | HM21 | 109.5° | 109.5° |
| C2' | CM2 | HM22 | 109.5° | 109.5° |
| C2' | CM2 | HM23 | 109.5° | 109.5° |
| C4' | C3' | H3' | 120.1° | 120.0° |
| C3' | C4' | C5' | 118.6° | 120.1° |
| C3' | C4' | H4' | 120.7° | 120.0° |
| C5' | C4' | H4' | 120.7° | 119.9° |
| C4' | C5' | C6' | 122.2° | 120.1° |
| C4' | C5' | H5' | 118.9° | 119.9° |
| C6' | C5' | H5' | 118.9° | 120.0° |
| C5' | C6' | CM6 | 121.0° | 120.0° |
| C6' | CM6 | HM61 | 109.5° | 109.5° |
| C6' | CM6 | HM62 | 109.5° | 109.5° |
| C6' | CM6 | HM63 | 109.5° | 109.4° |
| HM21 | CM2 | HM22 | 109.5° | 109.5° |
| HM21 | CM2 | HM23 | 109.5° | 109.5° |
| HM22 | CM2 | HM23 | 109.5° | 109.4° |
| HM61 | CM6 | HM62 | 109.5° | 109.5° |
| HM61 | CM6 | HM63 | 109.5° | 109.4° |
| HM62 | CM6 | HM63 | 109.5° | 109.5° |
| CA | N | H | 121.7° | 120.0° |
| N | CA | C | 108.6° | 109.4° |
| N | CA | CB | 110.4° | 109.5° |
| N | CA | HA | 112.7° | 109.5° |
| CA | N | C1 | 116.7° | 120.0° |
| H | N | C1 | 121.6° | 120.0° |
| C | CA | CB | 117.4° | 109.4° |
| C | CA | HA | 104.8° | 109.5° |
| CA | C | OXT | 111.6° | 109.5° |
| CA | C | CM | 118.9° | 109.5° |
| CA | C | HC | 99.7° | 109.5° |
| CB | CA | HA | 102.8° | 109.5° |
| CA | CB | CG | 114.6° | 109.5° |
| CA | CB | HB2 | 107.8° | 109.5° |
| CA | CB | HB3 | 107.8° | 109.5° |
| OXT | C | CM | 105.1° | 109.5° |
| OXT | C | HC | 114.9° | 109.5° |
| C | OXT | HOR | 109.5° | 113.9° |
| CM | C | HC | 106.9° | 109.4° |
| C | CM | HM2 | 111.1° | 109.5° |
| C | CM | HM3 | 111.0° | 109.4° |
| C | CM | N1 | 104.9° | 109.5° |
| CG | CB | HB2 | 107.8° | 109.5° |
| CG | CB | HB3 | 107.8° | 109.5° |
| CB | CG | CD1 | 122.4° | 120.0° |
| CB | CG | CD2 | 121.2° | 120.0° |
| HB2 | CB | HB3 | 111.1° | 109.4° |
| CD1 | CG | CD2 | 116.4° | 120.0° |
| CG | CD1 | CE1 | 121.6° | 120.0° |
| CG | CD1 | HD1 | 119.2° | 120.0° |
| CG | CD2 | CE2 | 122.8° | 120.0° |
| CG | CD2 | HD2 | 118.6° | 120.0° |
| CE1 | CD1 | HD1 | 119.2° | 120.0° |
| CD1 | CE1 | CZ | 120.8° | 120.0° |
| CD1 | CE1 | HE1 | 119.6° | 120.0° |
| CE2 | CD2 | HD2 | 118.6° | 120.0° |
| CD2 | CE2 | CZ | 119.6° | 120.0° |
| CD2 | CE2 | HE2 | 120.2° | 120.0° |
| CZ | CE1 | HE1 | 119.6° | 120.0° |
| CE1 | CZ | CE2 | 118.8° | 120.0° |
| CE1 | CZ | HZ | 120.6° | 120.0° |
| CZ | CE2 | HE2 | 120.2° | 120.0° |
| CE2 | CZ | HZ | 120.6° | 120.0° |
| HM2 | CM | HM3 | 107.9° | 109.4° |
| HM2 | CM | N1 | 111.0° | 109.5° |
| HM3 | CM | N1 | 111.0° | 109.5° |
| C21 | N1 | C6 | 113.9° | 111.2° |
| N1 | C21 | C3 | 108.3° | 109.5° |
| N1 | C21 | C7 | 117.7° | 109.4° |
| N1 | C21 | H2 | 104.7° | 109.5° |
| C21 | N1 | CM | 116.0° | 111.0° |
| N1 | C6 | C5 | 107.2° | 109.5° |
| N1 | C6 | H61 | 110.2° | 109.5° |
| N1 | C6 | H62 | 110.2° | 109.4° |
| C6 | N1 | CM | 111.1° | 111.0° |
| C3 | C21 | C7 | 110.0° | 109.4° |
| C3 | C21 | H2 | 113.2° | 109.5° |
| C21 | C3 | C4 | 116.4° | 109.3° |
| C21 | C3 | H31 | 107.3° | 109.5° |
| C21 | C3 | H32 | 107.2° | 109.5° |
| C7 | C21 | H2 | 102.9° | 109.4° |
| C21 | C7 | O | 118.5° | 120.0° |
| C21 | C7 | N2 | 109.2° | 120.0° |
| C4 | C3 | H31 | 107.2° | 109.6° |
| C4 | C3 | H32 | 107.3° | 109.5° |
| C3 | C4 | C5 | 108.3° | 109.1° |
| C3 | C4 | H42 | 115.7° | 109.6° |
| C3 | C4 | S | 104.1° | 109.5° |
| H31 | C3 | H32 | 111.6° | 109.6° |
| C5 | C4 | H42 | 104.9° | 109.5° |
| C4 | C5 | C6 | 102.7° | 109.3° |
| C4 | C5 | H51 | 111.8° | 109.5° |
| C4 | C5 | H52 | 111.8° | 109.5° |
| C5 | C4 | S | 115.0° | 109.5° |
| H42 | C4 | S | 109.1° | 109.6° |
| C6 | C5 | H51 | 111.8° | 109.5° |
| C6 | C5 | H52 | 111.8° | 109.5° |
| C5 | C6 | H61 | 110.3° | 109.5° |
| C5 | C6 | H62 | 110.2° | 109.5° |
| H51 | C5 | H52 | 107.1° | 109.5° |
| H61 | C6 | H62 | 108.7° | 109.4° |
| O | C7 | N2 | 132.1° | 120.1° |
| C7 | N2 | C1'1 | 122.4° | 120.0° |
| C7 | N2 | HN | 118.8° | 120.0° |
| C1'1 | N2 | HN | 118.8° | 120.0° |
| N2 | C1'1 | C2'1 | 111.2° | 109.5° |
| N2 | C1'1 | C3'1 | 109.8° | 109.5° |
| N2 | C1'1 | C4'1 | 110.1° | 109.5° |
| C2'1 | C1'1 | C3'1 | 106.9° | 109.5° |
| C2'1 | C1'1 | C4'1 | 108.9° | 109.4° |
| C1'1 | C2'1 | H2'1 | 109.5° | 109.5° |
| C1'1 | C2'1 | H2'2 | 109.5° | 109.5° |
| C1'1 | C2'1 | H2'3 | 109.5° | 109.5° |
| C3'1 | C1'1 | C4'1 | 110.0° | 109.5° |
| C1'1 | C3'1 | H3'1 | 109.5° | 109.5° |
| C1'1 | C3'1 | H3'2 | 109.5° | 109.5° |
| C1'1 | C3'1 | H3'3 | 109.4° | 109.5° |
| C1'1 | C4'1 | H4'1 | 109.5° | 109.5° |
| C1'1 | C4'1 | H4'2 | 109.4° | 109.5° |
| C1'1 | C4'1 | H4'3 | 109.5° | 109.4° |
| H2'1 | C2'1 | H2'2 | 109.5° | 109.4° |
| H2'1 | C2'1 | H2'3 | 109.5° | 109.4° |
| H2'2 | C2'1 | H2'3 | 109.4° | 109.4° |
| H3'1 | C3'1 | H3'2 | 109.5° | 109.4° |
| H3'1 | C3'1 | H3'3 | 109.5° | 109.4° |
| H3'2 | C3'1 | H3'3 | 109.5° | 109.5° |
| H4'1 | C4'1 | H4'2 | 109.5° | 109.5° |
| H4'1 | C4'1 | H4'3 | 109.5° | 109.5° |
| H4'2 | C4'1 | H4'3 | 109.5° | 109.5° |
| C22 | N11 | C61 | 121.5° | 121.7° |
| N11 | C22 | C31 | 119.6° | 120.7° |
| N11 | C22 | H23 | 120.2° | 119.6° |
| N11 | C61 | C51 | 120.9° | 120.8° |
| N11 | C61 | H6 | 119.6° | 119.7° |
| C31 | C22 | H23 | 120.2° | 119.7° |
| C22 | C31 | C41 | 119.8° | 119.2° |
| C22 | C31 | H3 | 120.1° | 120.4° |
| C41 | C31 | H3 | 120.1° | 120.4° |
| C31 | C41 | C51 | 118.6° | 118.4° |
| C31 | C41 | S | 120.6° | 120.8° |
| C51 | C41 | S | 120.8° | 120.8° |
| C41 | C51 | C61 | 119.6° | 119.1° |
| C41 | C51 | H5 | 120.2° | 120.4° |
| C41 | S | O1S | 99.8° | 104.3° |
| C41 | S | O2S | 119.9° | 104.3° |
| C41 | S | C4 | 119.8° | 104.5° |
| C61 | C51 | H5 | 120.2° | 120.5° |
| C51 | C61 | H6 | 119.6° | 119.6° |
| O1S | S | O2S | 92.6° | 121.1° |
| O1S | S | C4 | 113.1° | 110.5° |
| O2S | S | C4 | 107.8° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | N | 178.8° | 179.7° |
| C1 | C2 | O1' | H21 | 120.0° | 120.0° |
| C1 | C2 | O1' | H22 | 120.0° | 120.0° |
| C1 | C2 | H21 | H22 | 120.7° | 120.0° |
| C1 | C2 | O1' | C1' | 155.8° | 180.0° |
| C2 | C1 | N | CA | 179.5° | 180.0° |
| C2 | C1 | N | H | 0.5° | 0.0° |
| O1 | C1 | C2 | O1' | 170.6° | 0.1° |
| O1 | C1 | C2 | H21 | 69.4° | 120.1° |
| O1 | C1 | C2 | H22 | 50.6° | 120.0° |
| O1 | C1 | N | CA | 0.6° | 0.3° |
| O1 | C1 | N | H | 179.4° | 179.7° |
| O1' | C2 | H21 | H22 | 120.7° | 120.0° |
| C2 | O1' | C1' | C2' | 95.5° | 90.0° |
| C2 | O1' | C1' | C6' | 91.8° | 90.3° |
| O1' | C2 | C1 | N | 8.3° | 179.7° |
| H21 | C2 | O1' | C1' | 35.8° | 60.0° |
| H21 | C2 | C1 | N | 111.7° | 60.2° |
| H22 | C2 | O1' | C1' | 84.1° | 60.0° |
| H22 | C2 | C1 | N | 128.3° | 59.7° |
| C2' | C1' | C6' | O1' | 173.0° | 179.7° |
| C1' | C2' | C3' | CM2 | 179.0° | 180.0° |
| C1' | C2' | C3' | C4' | 2.4° | 0.0° |
| C1' | C2' | C3' | H3' | 177.6° | 180.0° |
| C2' | C1' | C6' | C5' | 2.6° | 0.1° |
| C2' | C1' | C6' | CM6 | 177.0° | 180.0° |
| C1' | C2' | CM2 | HM21 | 89.4° | 90.0° |
| C1' | C2' | CM2 | HM22 | 150.6° | 150.0° |
| C1' | C2' | CM2 | HM23 | 30.6° | 30.0° |
| C6' | C1' | C2' | C3' | 4.1° | 0.1° |
| C6' | C1' | C2' | CM2 | 177.0° | 180.0° |
| C1' | C6' | C5' | C4' | 0.5° | 0.0° |
| C1' | C6' | C5' | CM6 | 179.6° | 179.9° |
| C1' | C6' | C5' | H5' | 179.5° | 180.0° |
| C1' | C6' | CM6 | HM61 | 89.8° | 90.0° |
| C1' | C6' | CM6 | HM62 | 150.2° | 150.0° |
| C1' | C6' | CM6 | HM63 | 30.2° | 30.0° |
| O1' | C1' | C2' | C3' | 176.8° | 179.7° |
| O1' | C1' | C2' | CM2 | 4.3° | 0.3° |
| O1' | C1' | C6' | C5' | 175.6° | 179.7° |
| O1' | C1' | C6' | CM6 | 4.0° | 0.2° |
| C2' | C3' | C4' | H3' | 180.0° | 180.0° |
| C2' | C3' | C4' | C5' | 0.8° | 0.0° |
| C2' | C3' | C4' | H4' | 179.2° | 180.0° |
| C3' | C2' | CM2 | HM21 | 89.6° | 90.0° |
| C3' | C2' | CM2 | HM22 | 30.4° | 30.0° |
| C3' | C2' | CM2 | HM23 | 150.4° | 150.0° |
| CM2 | C2' | C3' | C4' | 178.6° | 180.0° |
| CM2 | C2' | C3' | H3' | 1.4° | 0.0° |
| C2' | CM2 | HM21 | HM22 | 120.0° | 120.0° |
| C2' | CM2 | HM21 | HM23 | 120.0° | 120.0° |
| C2' | CM2 | HM22 | HM23 | 120.0° | 120.0° |
| C3' | C4' | C5' | H4' | 180.0° | 180.0° |
| C3' | C4' | C5' | C6' | 2.2° | 0.0° |
| C3' | C4' | C5' | H5' | 177.8° | 179.9° |
| H3' | C3' | C4' | C5' | 179.3° | 180.0° |
| H3' | C3' | C4' | H4' | 0.7° | 0.0° |
| C4' | C5' | C6' | H5' | 180.0° | 179.9° |
| C4' | C5' | C6' | CM6 | 179.9° | 180.0° |
| H4' | C4' | C5' | C6' | 177.8° | 180.0° |
| H4' | C4' | C5' | H5' | 2.2° | 0.0° |
| C5' | C6' | CM6 | HM61 | 89.8° | 90.1° |
| C5' | C6' | CM6 | HM62 | 30.2° | 30.0° |
| C5' | C6' | CM6 | HM63 | 150.2° | 150.0° |
| H5' | C5' | C6' | CM6 | 0.1° | 0.1° |
| C6' | CM6 | HM61 | HM62 | 120.0° | 120.1° |
| C6' | CM6 | HM61 | HM63 | 120.0° | 120.0° |
| C6' | CM6 | HM62 | HM63 | 120.0° | 120.0° |
| HM21 | CM2 | HM22 | HM23 | 120.0° | 120.0° |
| HM61 | CM6 | HM62 | HM63 | 120.0° | 120.0° |
| CA | N | H | C1 | 180.0° | 180.0° |
| N | CA | C | CB | 126.0° | 120.0° |
| N | CA | C | HA | 120.7° | 120.0° |
| N | CA | CB | HA | 120.4° | 120.1° |
| N | CA | C | OXT | 81.6° | 65.0° |
| N | CA | C | CM | 155.7° | 175.0° |
| N | CA | C | HC | 40.2° | 55.0° |
| N | CA | CB | CG | 54.4° | 65.1° |
| N | CA | CB | HB2 | 65.6° | 55.0° |
| N | CA | CB | HB3 | 174.4° | 174.9° |
| H | N | CA | C | 65.5° | 25.0° |
| H | N | CA | CB | 64.5° | 95.0° |
| H | N | CA | HA | 178.8° | 145.0° |
| C | CA | CB | HA | 114.4° | 120.0° |
| CA | C | OXT | CM | 130.2° | 120.0° |
| CA | C | OXT | HC | 112.6° | 120.0° |
| CA | C | CM | HC | 111.6° | 119.9° |
| CA | C | OXT | HOR | 180.0° | 60.1° |
| C | CA | CB | CG | 179.5° | 175.0° |
| C | CA | CB | HB2 | 59.5° | 65.0° |
| C | CA | CB | HB3 | 60.5° | 55.0° |
| CA | C | CM | HM2 | 39.8° | 52.8° |
| CA | C | CM | HM3 | 159.8° | 67.2° |
| C | CA | N | C1 | 114.4° | 155.0° |
| CA | C | CM | N1 | 80.2° | 172.8° |
| CB | CA | C | OXT | 44.4° | 55.0° |
| CB | CA | C | CM | 78.3° | 65.1° |
| CB | CA | C | HC | 166.2° | 175.0° |
| CA | CB | CG | HB2 | 120.0° | 120.1° |
| CA | CB | CG | HB3 | 120.0° | 120.0° |
| CA | CB | HB2 | HB3 | 117.9° | 120.0° |
| CA | CB | CG | CD1 | 85.7° | 90.0° |
| CA | CB | CG | CD2 | 95.2° | 90.2° |
| CB | CA | N | C1 | 115.6° | 85.0° |
| HA | CA | C | OXT | 157.7° | 175.0° |
| HA | CA | C | CM | 35.0° | 55.0° |
| HA | CA | C | HC | 80.5° | 65.0° |
| HA | CA | CB | CG | 66.1° | 55.0° |
| HA | CA | CB | HB2 | 174.0° | 175.0° |
| HA | CA | CB | HB3 | 53.9° | 65.0° |
| HA | CA | N | C1 | 1.2° | 35.1° |
| OXT | C | CM | HC | 122.5° | 120.0° |
| OXT | C | CM | HM2 | 86.1° | 172.8° |
| OXT | C | CM | HM3 | 33.9° | 52.9° |
| OXT | C | CM | N1 | 153.9° | 67.1° |
| CM | C | OXT | HOR | 49.8° | 60.0° |
| C | CM | HM2 | HM3 | 121.9° | 120.0° |
| C | CM | HM2 | N1 | 116.3° | 120.0° |
| C | CM | HM3 | N1 | 116.2° | 120.0° |
| C | CM | N1 | C21 | 149.6° | 162.6° |
| C | CM | N1 | C6 | 78.3° | 73.3° |
| HC | C | OXT | HOR | 67.4° | 180.0° |
| HC | C | CM | HM2 | 151.4° | 67.1° |
| HC | C | CM | HM3 | 88.6° | 172.9° |
| HC | C | CM | N1 | 31.4° | 52.9° |
| CG | CB | HB2 | HB3 | 117.9° | 120.0° |
| CB | CG | CD1 | CD2 | 179.1° | 179.7° |
| CB | CG | CD1 | CE1 | 179.4° | 179.9° |
| CB | CG | CD1 | HD1 | 0.6° | 0.0° |
| CB | CG | CD2 | CE2 | 178.1° | 180.0° |
| CB | CG | CD2 | HD2 | 1.9° | 0.1° |
| HB2 | CB | CG | CD1 | 154.3° | 30.0° |
| HB2 | CB | CG | CD2 | 24.8° | 149.7° |
| HB3 | CB | CG | CD1 | 34.3° | 150.0° |
| HB3 | CB | CG | CD2 | 144.8° | 29.8° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 1.0° | 0.3° |
| CD1 | CG | CD2 | HD2 | 179.0° | 179.7° |
| CG | CD1 | CE1 | CZ | 0.0° | 0.1° |
| CG | CD1 | CE1 | HE1 | 180.0° | 180.0° |
| CD2 | CG | CD1 | CE1 | 0.3° | 0.3° |
| CD2 | CG | CD1 | HD1 | 179.8° | 179.7° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.9° |
| CG | CD2 | CE2 | CZ | 2.6° | 0.0° |
| CG | CD2 | CE2 | HE2 | 177.5° | 180.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 1.5° | 0.2° |
| CD1 | CE1 | CZ | HZ | 178.5° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 180.0° | 179.9° |
| HD1 | CD1 | CE1 | HE1 | 0.0° | 0.1° |
| CD2 | CE2 | CZ | CE1 | 2.7° | 0.2° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | HZ | 177.3° | 179.9° |
| HD2 | CD2 | CE2 | CZ | 177.4° | 179.9° |
| HD2 | CD2 | CE2 | HE2 | 2.5° | 0.1° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.9° |
| CE1 | CZ | CE2 | HE2 | 177.3° | 179.8° |
| HE1 | CE1 | CZ | CE2 | 178.5° | 179.7° |
| HE1 | CE1 | CZ | HZ | 1.5° | 0.1° |
| HE2 | CE2 | CZ | HZ | 2.7° | 0.0° |
| HM2 | CM | HM3 | N1 | 121.9° | 120.0° |
| HM2 | CM | N1 | C21 | 29.6° | 42.5° |
| HM2 | CM | N1 | C6 | 161.7° | 166.7° |
| HM3 | CM | N1 | C21 | 90.4° | 77.5° |
| HM3 | CM | N1 | C6 | 41.6° | 46.7° |
| C21 | N1 | C6 | CM | 133.1° | 124.1° |
| N1 | C21 | C3 | C7 | 129.9° | 120.0° |
| N1 | C21 | C3 | H2 | 115.7° | 120.1° |
| N1 | C21 | C7 | H2 | 114.5° | 120.0° |
| N1 | C21 | C3 | C4 | 42.8° | 59.3° |
| N1 | C21 | C3 | H31 | 77.2° | 60.7° |
| N1 | C21 | C3 | H32 | 162.8° | 179.1° |
| C21 | N1 | C6 | C5 | 63.1° | 61.8° |
| C21 | N1 | C6 | H61 | 56.9° | 58.3° |
| C21 | N1 | C6 | H62 | 176.9° | 178.2° |
| N1 | C21 | C7 | O | 57.1° | 28.9° |
| N1 | C21 | C7 | N2 | 127.7° | 151.1° |
| C6 | N1 | C21 | C3 | 46.0° | 61.8° |
| C6 | N1 | C21 | C7 | 171.5° | 178.3° |
| C6 | N1 | C21 | H2 | 75.1° | 58.3° |
| N1 | C6 | C5 | C4 | 71.9° | 59.2° |
| N1 | C6 | C5 | H61 | 120.0° | 120.0° |
| N1 | C6 | C5 | H62 | 120.0° | 120.0° |
| N1 | C6 | C5 | H51 | 48.1° | 60.8° |
| N1 | C6 | C5 | H52 | 168.1° | 179.1° |
| N1 | C6 | H61 | H62 | 120.9° | 119.9° |
| C3 | C21 | C7 | H2 | 120.9° | 120.0° |
| C21 | C3 | C4 | H31 | 120.0° | 120.0° |
| C21 | C3 | C4 | H32 | 120.0° | 119.9° |
| C21 | C3 | H31 | H32 | 117.2° | 120.1° |
| C21 | C3 | C4 | C5 | 57.2° | 57.7° |
| C21 | C3 | C4 | H42 | 60.3° | 62.2° |
| C3 | C21 | C7 | O | 67.5° | 91.1° |
| C3 | C21 | C7 | N2 | 107.6° | 88.8° |
| C3 | C21 | N1 | CM | 176.8° | 174.1° |
| C21 | C3 | C4 | S | 179.9° | 177.6° |
| C7 | C21 | C3 | C4 | 172.7° | 179.2° |
| C7 | C21 | C3 | H31 | 52.7° | 59.2° |
| C7 | C21 | C3 | H32 | 67.3° | 60.9° |
| C21 | C7 | O | N2 | 173.8° | 180.0° |
| C21 | C7 | N2 | C1'1 | 177.6° | 180.0° |
| C21 | C7 | N2 | HN | 2.4° | 0.0° |
| C7 | C21 | N1 | CM | 57.8° | 54.2° |
| H2 | C21 | C3 | C4 | 72.9° | 60.8° |
| H2 | C21 | C3 | H31 | 167.1° | 179.2° |
| H2 | C21 | C3 | H32 | 47.1° | 59.0° |
| H2 | C21 | C7 | O | 171.6° | 148.9° |
| H2 | C21 | C7 | N2 | 13.3° | 31.1° |
| H2 | C21 | N1 | CM | 55.7° | 65.8° |
| C4 | C3 | H31 | H32 | 117.2° | 120.1° |
| C3 | C4 | C5 | H42 | 124.1° | 119.9° |
| C3 | C4 | C5 | S | 116.0° | 119.9° |
| C3 | C4 | H42 | S | 116.9° | 120.2° |
| C3 | C4 | C5 | C6 | 67.8° | 57.7° |
| C3 | C4 | C5 | H51 | 52.2° | 62.3° |
| C3 | C4 | C5 | H52 | 172.2° | 177.6° |
| C3 | C4 | S | C41 | 56.2° | 174.9° |
| C3 | C4 | S | O1S | 61.0° | 63.4° |
| C3 | C4 | S | O2S | 161.9° | 73.4° |
| H31 | C3 | C4 | C5 | 62.8° | 62.3° |
| H31 | C3 | C4 | H42 | 179.7° | 177.8° |
| H31 | C3 | C4 | S | 60.1° | 57.6° |
| H32 | C3 | C4 | C5 | 177.2° | 177.6° |
| H32 | C3 | C4 | H42 | 59.7° | 57.7° |
| H32 | C3 | C4 | S | 59.9° | 62.6° |
| C5 | C4 | H42 | S | 123.7° | 120.1° |
| C4 | C5 | C6 | H51 | 120.0° | 120.0° |
| C4 | C5 | C6 | H52 | 120.0° | 119.9° |
| C4 | C5 | H51 | H52 | 122.8° | 120.1° |
| C4 | C5 | C6 | H61 | 48.1° | 60.8° |
| C4 | C5 | C6 | H62 | 168.1° | 179.2° |
| C5 | C4 | S | C41 | 174.6° | 55.3° |
| C5 | C4 | S | O1S | 57.4° | 56.3° |
| C5 | C4 | S | O2S | 43.4° | 166.9° |
| H42 | C4 | C5 | C6 | 56.3° | 62.3° |
| H42 | C4 | C5 | H51 | 176.3° | 177.7° |
| H42 | C4 | C5 | H52 | 63.7° | 57.7° |
| H42 | C4 | S | C41 | 67.9° | 64.8° |
| H42 | C4 | S | O1S | 175.0° | 176.4° |
| H42 | C4 | S | O2S | 74.1° | 46.8° |
| C6 | C5 | H51 | H52 | 122.7° | 120.1° |
| C5 | C6 | H61 | H62 | 120.9° | 120.0° |
| C5 | C6 | N1 | CM | 163.8° | 174.1° |
| C6 | C5 | C4 | S | 176.1° | 177.6° |
| H51 | C5 | C6 | H61 | 168.1° | 179.2° |
| H51 | C5 | C6 | H62 | 71.9° | 59.2° |
| H51 | C5 | C4 | S | 63.9° | 57.6° |
| H52 | C5 | C6 | H61 | 71.9° | 59.1° |
| H52 | C5 | C6 | H62 | 48.1° | 60.9° |
| H52 | C5 | C4 | S | 56.2° | 62.5° |
| H61 | C6 | N1 | CM | 76.2° | 65.8° |
| H62 | C6 | N1 | CM | 43.8° | 54.1° |
| O | C7 | N2 | C1'1 | 8.2° | 0.1° |
| O | C7 | N2 | HN | 171.8° | 180.0° |
| C7 | N2 | C1'1 | HN | 180.0° | 179.9° |
| C7 | N2 | C1'1 | C2'1 | 178.5° | 60.0° |
| C7 | N2 | C1'1 | C3'1 | 60.4° | 180.0° |
| C7 | N2 | C1'1 | C4'1 | 60.7° | 60.0° |
| N2 | C1'1 | C2'1 | C3'1 | 119.8° | 120.0° |
| N2 | C1'1 | C2'1 | C4'1 | 121.4° | 120.0° |
| N2 | C1'1 | C3'1 | C4'1 | 121.3° | 120.0° |
| N2 | C1'1 | C2'1 | H2'1 | 180.0° | 60.0° |
| N2 | C1'1 | C2'1 | H2'2 | 60.0° | 180.0° |
| N2 | C1'1 | C2'1 | H2'3 | 60.0° | 60.0° |
| N2 | C1'1 | C3'1 | H3'1 | 180.0° | 60.0° |
| N2 | C1'1 | C3'1 | H3'2 | 60.0° | 180.0° |
| N2 | C1'1 | C3'1 | H3'3 | 60.0° | 60.0° |
| N2 | C1'1 | C4'1 | H4'1 | 180.0° | 60.0° |
| N2 | C1'1 | C4'1 | H4'2 | 60.0° | 180.0° |
| N2 | C1'1 | C4'1 | H4'3 | 60.0° | 60.0° |
| HN | N2 | C1'1 | C2'1 | 1.5° | 120.0° |
| HN | N2 | C1'1 | C3'1 | 119.6° | 0.0° |
| HN | N2 | C1'1 | C4'1 | 119.2° | 120.0° |
| C2'1 | C1'1 | C3'1 | C4'1 | 118.0° | 120.0° |
| C1'1 | C2'1 | H2'1 | H2'2 | 120.0° | 120.1° |
| C1'1 | C2'1 | H2'1 | H2'3 | 120.0° | 120.0° |
| C1'1 | C2'1 | H2'2 | H2'3 | 120.0° | 120.1° |
| C2'1 | C1'1 | C3'1 | H3'1 | 59.3° | 180.0° |
| C2'1 | C1'1 | C3'1 | H3'2 | 179.3° | 60.0° |
| C2'1 | C1'1 | C3'1 | H3'3 | 60.7° | 60.0° |
| C2'1 | C1'1 | C4'1 | H4'1 | 57.9° | 60.0° |
| C2'1 | C1'1 | C4'1 | H4'2 | 62.1° | 60.0° |
| C2'1 | C1'1 | C4'1 | H4'3 | 177.9° | 180.0° |
| C3'1 | C1'1 | C2'1 | H2'1 | 60.2° | 60.0° |
| C3'1 | C1'1 | C2'1 | H2'2 | 59.9° | 60.0° |
| C3'1 | C1'1 | C2'1 | H2'3 | 179.8° | 180.0° |
| C1'1 | C3'1 | H3'1 | H3'2 | 120.0° | 120.0° |
| C1'1 | C3'1 | H3'1 | H3'3 | 120.0° | 120.0° |
| C1'1 | C3'1 | H3'2 | H3'3 | 120.0° | 120.0° |
| C3'1 | C1'1 | C4'1 | H4'1 | 58.9° | 180.0° |
| C3'1 | C1'1 | C4'1 | H4'2 | 178.9° | 60.0° |
| C3'1 | C1'1 | C4'1 | H4'3 | 61.1° | 60.0° |
| C4'1 | C1'1 | C2'1 | H2'1 | 58.6° | 180.0° |
| C4'1 | C1'1 | C2'1 | H2'2 | 178.6° | 60.0° |
| C4'1 | C1'1 | C2'1 | H2'3 | 61.5° | 60.0° |
| C4'1 | C1'1 | C3'1 | H3'1 | 58.7° | 60.0° |
| C4'1 | C1'1 | C3'1 | H3'2 | 61.3° | 60.0° |
| C4'1 | C1'1 | C3'1 | H3'3 | 178.8° | 180.0° |
| C1'1 | C4'1 | H4'1 | H4'2 | 120.0° | 120.0° |
| C1'1 | C4'1 | H4'1 | H4'3 | 120.0° | 120.0° |
| C1'1 | C4'1 | H4'2 | H4'3 | 120.0° | 120.0° |
| H2'1 | C2'1 | H2'2 | H2'3 | 120.0° | 119.9° |
| H3'1 | C3'1 | H3'2 | H3'3 | 120.1° | 119.9° |
| H4'1 | C4'1 | H4'2 | H4'3 | 120.0° | 120.0° |
| N11 | C22 | C31 | H23 | 180.0° | 180.0° |
| N11 | C22 | C31 | C41 | 0.5° | 0.0° |
| N11 | C22 | C31 | H3 | 179.5° | 179.9° |
| C22 | N11 | C61 | C51 | 0.7° | 0.0° |
| C22 | N11 | C61 | H6 | 179.3° | 180.0° |
| C61 | N11 | C22 | C31 | 0.8° | 0.0° |
| C61 | N11 | C22 | H23 | 179.2° | 180.0° |
| N11 | C61 | C51 | C41 | 0.3° | 0.0° |
| N11 | C61 | C51 | H6 | 180.0° | 180.0° |
| N11 | C61 | C51 | H5 | 179.7° | 180.0° |
| C22 | C31 | C41 | H3 | 180.0° | 179.9° |
| C22 | C31 | C41 | C51 | 0.1° | 0.1° |
| C22 | C31 | C41 | S | 179.7° | 180.0° |
| H23 | C22 | C31 | C41 | 179.5° | 180.0° |
| H23 | C22 | C31 | H3 | 0.5° | 0.1° |
| C31 | C41 | C51 | S | 179.6° | 180.0° |
| C31 | C41 | C51 | C61 | 0.0° | 0.0° |
| C31 | C41 | C51 | H5 | 180.0° | 180.0° |
| C31 | C41 | S | O1S | 168.8° | 26.1° |
| C31 | C41 | S | O2S | 92.5° | 154.0° |
| C31 | C41 | S | C4 | 45.0° | 90.0° |
| H3 | C31 | C41 | C51 | 179.9° | 179.9° |
| H3 | C31 | C41 | S | 0.3° | 0.1° |
| C41 | C51 | C61 | H5 | 180.0° | 180.0° |
| C41 | C51 | C61 | H6 | 179.7° | 180.0° |
| C51 | C41 | S | O1S | 10.8° | 154.0° |
| C51 | C41 | S | O2S | 88.0° | 26.1° |
| C51 | C41 | S | C4 | 134.6° | 90.0° |
| S | C41 | C51 | C61 | 179.6° | 180.0° |
| S | C41 | C51 | H5 | 0.4° | 0.0° |
| C41 | S | O1S | O2S | 120.9° | 116.7° |
| C41 | S | O1S | C4 | 128.5° | 111.7° |
| C41 | S | O2S | C4 | 142.0° | 111.7° |
| H5 | C51 | C61 | H6 | 0.3° | 0.0° |
| O1S | S | O2S | C4 | 115.2° | 131.5° |
