0KV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N3 | sing | 1.35Å | 1.42Å | |
| C2 | CA2 | sing | 1.51Å | 1.57Å | |
| N2 | C1 | sing | 1.33Å | 1.31Å | |
| O2 | C2 | doub | 1.21Å | 1.27Å | |
| CA2 | N2 | sing | 1.47Å | 1.47Å | |
| CA2 | HA2 | sing | 1.09Å | 1.10Å | |
| CA2 | HA2A | sing | 1.09Å | 1.10Å | |
| C3 | CA3 | sing | 1.51Å | 1.53Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| O3 | C3 | doub | 1.21Å | 1.25Å | |
| C4 | CG3 | sing | 1.53Å | 1.55Å | |
| C4 | C5 | sing | 1.53Å | 1.57Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | NE3 | sing | 1.47Å | 1.52Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | C7 | sing | 1.51Å | 1.49Å | |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| S | O1S | doub | 1.42Å | 1.42Å | |
| S | C7 | sing | 1.81Å | 1.78Å | |
| O2S | S | doub | 1.42Å | 1.43Å | |
| N1 | S | sing | 1.66Å | 1.66Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C1 | CA1 | sing | 1.50Å | 1.55Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| CA1 | N1 | sing | 1.47Å | 1.41Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| CB1 | CA1 | sing | 1.53Å | 1.50Å | |
| CB1 | HB1 | sing | 1.09Å | 1.10Å | |
| CB1 | HB1A | sing | 1.09Å | 1.10Å | |
| CD1 | N2 | sing | 1.46Å | 1.47Å | |
| CD1 | CG1 | sing | 1.53Å | 1.51Å | |
| CD1 | HD1 | sing | 1.09Å | 1.10Å | |
| CD1 | HD1A | sing | 1.09Å | 1.10Å | |
| CG1 | CB1 | sing | 1.53Å | 1.51Å | |
| CG1 | HG1 | sing | 1.09Å | 1.10Å | |
| CG1 | HG1A | sing | 1.09Å | 1.10Å | |
| CA3 | N3 | sing | 1.46Å | 1.50Å | |
| CA3 | CB3 | sing | 1.53Å | 1.55Å | |
| CA3 | HA3 | sing | 1.09Å | 1.10Å | |
| CB3 | CG3 | sing | 1.53Å | 1.55Å | |
| CB3 | HB3 | sing | 1.09Å | 1.10Å | |
| CB3 | HB3A | sing | 1.09Å | 1.10Å | |
| CD3 | NE3 | sing | 1.47Å | 1.51Å | |
| CD3 | HD3 | sing | 1.09Å | 1.10Å | |
| CD3 | HD3A | sing | 1.09Å | 1.10Å | |
| NE3 | CZ3 | sing | 1.38Å | 1.45Å | |
| CG3 | CD3 | sing | 1.53Å | 1.54Å | |
| CG3 | HG3 | sing | 1.09Å | 1.10Å | |
| NH1 | HNH1 | sing | 0.97Å | 1.00Å | |
| NH1 | HNHA | sing | 0.97Å | 1.00Å | |
| NH2 | HNH2 | sing | 0.97Å | 1.00Å | |
| CZ3 | NH1 | sing | 1.38Å | 1.30Å | |
| CZ3 | NH2 | doub | 1.30Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C2 | CA2 | 97.3° | 120.0° |
| N3 | C2 | O2 | 130.2° | 120.0° |
| C2 | N3 | HN3 | 121.1° | 119.9° |
| C2 | N3 | CA3 | 117.8° | 120.0° |
| CA2 | C2 | O2 | 115.8° | 120.0° |
| C2 | CA2 | N2 | 99.4° | 109.5° |
| C2 | CA2 | HA2 | 113.0° | 109.5° |
| C2 | CA2 | HA2A | 113.0° | 109.5° |
| C1 | N2 | CA2 | 109.9° | 118.0° |
| N2 | C1 | CA1 | 116.7° | 123.5° |
| N2 | C1 | O1 | 129.2° | 118.2° |
| C1 | N2 | CD1 | 126.7° | 124.1° |
| N2 | CA2 | HA2 | 113.0° | 109.4° |
| N2 | CA2 | HA2A | 113.0° | 109.5° |
| CA2 | N2 | CD1 | 122.9° | 117.9° |
| HA2 | CA2 | HA2A | 105.8° | 109.4° |
| CA3 | C3 | H3 | 118.1° | 120.0° |
| CA3 | C3 | O3 | 123.8° | 120.0° |
| C3 | CA3 | N3 | 120.6° | 109.5° |
| C3 | CA3 | CB3 | 111.8° | 109.5° |
| C3 | CA3 | HA3 | 100.0° | 109.5° |
| H3 | C3 | O3 | 118.1° | 120.0° |
| HN3 | N3 | CA3 | 121.1° | 120.0° |
| CG3 | C4 | C5 | 113.5° | 109.6° |
| CG3 | C4 | H4 | 108.1° | 109.5° |
| CG3 | C4 | H4A | 108.2° | 109.4° |
| C4 | CG3 | CB3 | 113.3° | 109.5° |
| C4 | CG3 | CD3 | 117.0° | 109.3° |
| C4 | CG3 | HG3 | 102.0° | 109.5° |
| C5 | C4 | H4 | 108.1° | 109.5° |
| C5 | C4 | H4A | 108.1° | 109.4° |
| C4 | C5 | C6 | 111.1° | 109.3° |
| C4 | C5 | H5 | 108.9° | 109.5° |
| C4 | C5 | H5A | 108.9° | 109.5° |
| H4 | C4 | H4A | 110.8° | 109.4° |
| C6 | C5 | H5 | 108.9° | 109.5° |
| C6 | C5 | H5A | 108.9° | 109.5° |
| C5 | C6 | NE3 | 111.8° | 108.8° |
| C5 | C6 | H6 | 108.7° | 109.6° |
| C5 | C6 | H6A | 108.7° | 109.6° |
| H5 | C5 | H5A | 110.0° | 109.5° |
| NE3 | C6 | H6 | 108.7° | 109.6° |
| NE3 | C6 | H6A | 108.7° | 109.6° |
| C6 | NE3 | CD3 | 113.5° | 118.8° |
| C6 | NE3 | CZ3 | 124.9° | 120.6° |
| H6 | C6 | H6A | 110.2° | 109.7° |
| H7 | C7 | H7A | 111.4° | 109.4° |
| H7 | C7 | C8 | 107.5° | 109.4° |
| H7 | C7 | S | 107.5° | 109.5° |
| H7A | C7 | C8 | 107.5° | 109.5° |
| H7A | C7 | S | 107.5° | 109.5° |
| C7 | C8 | C9 | 117.3° | 120.0° |
| C7 | C8 | C13 | 121.9° | 120.0° |
| C8 | C7 | S | 115.5° | 109.5° |
| C8 | C9 | H9 | 121.1° | 120.0° |
| C8 | C9 | C10 | 117.9° | 120.0° |
| C9 | C8 | C13 | 120.2° | 120.0° |
| H9 | C9 | C10 | 121.1° | 120.0° |
| C9 | C10 | H10 | 119.6° | 120.0° |
| C9 | C10 | C11 | 120.8° | 120.0° |
| H10 | C10 | C11 | 119.6° | 120.0° |
| C10 | C11 | H11 | 120.6° | 120.0° |
| C10 | C11 | C12 | 118.7° | 120.0° |
| H11 | C11 | C12 | 120.7° | 120.0° |
| C11 | C12 | C13 | 118.8° | 120.0° |
| C11 | C12 | H12 | 120.6° | 120.0° |
| C13 | C12 | H12 | 120.6° | 119.9° |
| C12 | C13 | C8 | 119.6° | 119.9° |
| C12 | C13 | H13 | 120.2° | 120.1° |
| C8 | C13 | H13 | 120.2° | 120.0° |
| O1S | S | C7 | 104.1° | 110.5° |
| O1S | S | O2S | 124.6° | 121.0° |
| O1S | S | N1 | 105.5° | 104.3° |
| C7 | S | O2S | 112.3° | 110.5° |
| C7 | S | N1 | 109.6° | 104.5° |
| O2S | S | N1 | 100.0° | 104.2° |
| S | N1 | HN1 | 104.8° | 120.0° |
| S | N1 | CA1 | 124.1° | 120.0° |
| HN1 | N1 | CA1 | 104.8° | 120.0° |
| CA1 | C1 | O1 | 112.8° | 118.2° |
| C1 | CA1 | N1 | 110.2° | 109.4° |
| C1 | CA1 | HA1 | 111.8° | 109.4° |
| C1 | CA1 | CB1 | 109.7° | 109.8° |
| N1 | CA1 | HA1 | 103.8° | 109.4° |
| N1 | CA1 | CB1 | 116.8° | 109.4° |
| HA1 | CA1 | CB1 | 104.3° | 109.3° |
| CA1 | CB1 | HB1 | 109.3° | 109.6° |
| CA1 | CB1 | HB1A | 109.3° | 109.6° |
| CA1 | CB1 | CG1 | 110.1° | 108.4° |
| HB1 | CB1 | HB1A | 109.7° | 109.7° |
| HB1 | CB1 | CG1 | 109.3° | 109.7° |
| HB1A | CB1 | CG1 | 109.3° | 109.8° |
| N2 | CD1 | CG1 | 114.2° | 110.4° |
| N2 | CD1 | HD1 | 107.9° | 109.3° |
| N2 | CD1 | HD1A | 107.9° | 109.3° |
| CG1 | CD1 | HD1 | 107.9° | 109.7° |
| CG1 | CD1 | HD1A | 107.9° | 109.0° |
| CD1 | CG1 | CB1 | 116.4° | 108.5° |
| CD1 | CG1 | HG1 | 107.2° | 109.6° |
| CD1 | CG1 | HG1A | 107.2° | 109.6° |
| HD1 | CD1 | HD1A | 110.9° | 109.1° |
| CB1 | CG1 | HG1 | 107.2° | 110.0° |
| CB1 | CG1 | HG1A | 107.2° | 109.3° |
| HG1 | CG1 | HG1A | 111.6° | 109.8° |
| N3 | CA3 | CB3 | 112.7° | 109.5° |
| N3 | CA3 | HA3 | 98.8° | 109.5° |
| CB3 | CA3 | HA3 | 110.8° | 109.4° |
| CA3 | CB3 | CG3 | 104.3° | 109.5° |
| CA3 | CB3 | HB3 | 111.2° | 109.4° |
| CA3 | CB3 | HB3A | 111.2° | 109.5° |
| CG3 | CB3 | HB3 | 111.2° | 109.5° |
| CG3 | CB3 | HB3A | 111.2° | 109.5° |
| CB3 | CG3 | CD3 | 113.1° | 109.5° |
| CB3 | CG3 | HG3 | 107.2° | 109.5° |
| HB3 | CB3 | HB3A | 107.7° | 109.5° |
| NE3 | CD3 | HD3 | 108.9° | 109.6° |
| NE3 | CD3 | HD3A | 108.9° | 109.6° |
| CD3 | NE3 | CZ3 | 121.5° | 120.6° |
| NE3 | CD3 | CG3 | 111.4° | 108.8° |
| HD3 | CD3 | HD3A | 110.0° | 109.6° |
| HD3 | CD3 | CG3 | 108.8° | 109.5° |
| HD3A | CD3 | CG3 | 108.8° | 109.6° |
| NE3 | CZ3 | NH1 | 119.0° | 119.9° |
| NE3 | CZ3 | NH2 | 119.5° | 120.0° |
| CD3 | CG3 | HG3 | 102.3° | 109.5° |
| HNH1 | NH1 | HNHA | 120.0° | 120.0° |
| HNH1 | NH1 | CZ3 | 120.0° | 120.0° |
| HNHA | NH1 | CZ3 | 120.0° | 119.9° |
| HNH2 | NH2 | CZ3 | 112.0° | 120.0° |
| NH1 | CZ3 | NH2 | 121.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C2 | CA2 | O2 | 141.7° | 179.8° |
| N3 | C2 | CA2 | N2 | 166.3° | 180.0° |
| N3 | C2 | CA2 | HA2 | 73.7° | 60.0° |
| N3 | C2 | CA2 | HA2A | 46.3° | 59.9° |
| C2 | N3 | CA3 | C3 | 94.1° | 85.0° |
| C2 | N3 | HN3 | CA3 | 180.0° | 179.9° |
| C2 | N3 | CA3 | CB3 | 130.1° | 155.0° |
| C2 | N3 | CA3 | HA3 | 13.1° | 35.0° |
| C2 | CA2 | N2 | C1 | 63.7° | 90.0° |
| C2 | CA2 | N2 | HA2 | 120.0° | 120.0° |
| C2 | CA2 | N2 | HA2A | 120.0° | 120.1° |
| C2 | CA2 | HA2 | HA2A | 124.1° | 120.0° |
| CA2 | C2 | N3 | HN3 | 18.0° | 0.1° |
| C2 | CA2 | N2 | CD1 | 108.9° | 90.3° |
| CA2 | C2 | N3 | CA3 | 162.0° | 180.0° |
| C1 | N2 | CA2 | CD1 | 172.6° | 179.8° |
| C1 | N2 | CA2 | HA2 | 176.3° | 30.0° |
| C1 | N2 | CA2 | HA2A | 56.3° | 150.0° |
| N2 | C1 | CA1 | O1 | 168.0° | 180.0° |
| N2 | C1 | CA1 | N1 | 172.1° | 137.7° |
| N2 | C1 | CA1 | HA1 | 73.1° | 102.5° |
| N2 | C1 | CA1 | CB1 | 42.1° | 17.6° |
| C1 | N2 | CD1 | CG1 | 0.9° | 19.5° |
| C1 | N2 | CD1 | HD1 | 119.1° | 101.3° |
| C1 | N2 | CD1 | HD1A | 121.0° | 139.4° |
| O2 | C2 | CA2 | N2 | 52.0° | 0.2° |
| O2 | C2 | CA2 | HA2 | 67.9° | 119.7° |
| O2 | C2 | CA2 | HA2A | 172.0° | 120.3° |
| O2 | C2 | N3 | HN3 | 150.9° | 179.7° |
| O2 | C2 | N3 | CA3 | 29.0° | 0.2° |
| N2 | CA2 | HA2 | HA2A | 124.1° | 120.0° |
| CA2 | N2 | C1 | CA1 | 174.5° | 177.8° |
| CA2 | N2 | C1 | O1 | 8.7° | 2.2° |
| CA2 | N2 | CD1 | CG1 | 172.2° | 160.8° |
| CA2 | N2 | CD1 | HD1 | 52.2° | 78.5° |
| CA2 | N2 | CD1 | HD1A | 67.8° | 40.8° |
| HA2 | CA2 | N2 | CD1 | 11.1° | 149.7° |
| HA2A | CA2 | N2 | CD1 | 131.1° | 29.8° |
| CA3 | C3 | H3 | O3 | 180.0° | 180.0° |
| C3 | CA3 | N3 | HN3 | 85.9° | 95.0° |
| C3 | CA3 | N3 | CB3 | 135.8° | 120.0° |
| C3 | CA3 | N3 | HA3 | 107.2° | 120.0° |
| C3 | CA3 | CB3 | HA3 | 110.6° | 120.0° |
| C3 | CA3 | CB3 | CG3 | 160.8° | 175.0° |
| C3 | CA3 | CB3 | HB3 | 79.2° | 65.0° |
| C3 | CA3 | CB3 | HB3A | 40.9° | 55.0° |
| H3 | C3 | CA3 | N3 | 144.2° | 180.0° |
| H3 | C3 | CA3 | CB3 | 8.0° | 60.0° |
| H3 | C3 | CA3 | HA3 | 109.3° | 60.0° |
| HN3 | N3 | CA3 | CB3 | 49.9° | 25.0° |
| HN3 | N3 | CA3 | HA3 | 166.9° | 145.0° |
| O3 | C3 | CA3 | N3 | 35.8° | 0.0° |
| O3 | C3 | CA3 | CB3 | 172.0° | 120.0° |
| O3 | C3 | CA3 | HA3 | 70.7° | 120.0° |
| CG3 | C4 | C5 | H4 | 120.0° | 120.1° |
| CG3 | C4 | C5 | H4A | 120.0° | 120.0° |
| CG3 | C4 | H4 | H4A | 118.4° | 119.9° |
| CG3 | C4 | C5 | C6 | 12.9° | 61.4° |
| CG3 | C4 | C5 | H5 | 132.9° | 58.5° |
| CG3 | C4 | C5 | H5A | 107.1° | 178.6° |
| C4 | CG3 | CB3 | CA3 | 81.5° | 175.1° |
| C4 | CG3 | CB3 | CD3 | 136.2° | 119.8° |
| C4 | CG3 | CB3 | HG3 | 111.8° | 120.1° |
| C4 | CG3 | CB3 | HB3 | 158.5° | 65.0° |
| C4 | CG3 | CB3 | HB3A | 38.5° | 55.0° |
| C4 | CG3 | CD3 | NE3 | 26.2° | 54.6° |
| C4 | CG3 | CD3 | HD3 | 93.8° | 65.2° |
| C4 | CG3 | CD3 | HD3A | 146.2° | 174.5° |
| C4 | CG3 | CD3 | HG3 | 110.6° | 120.0° |
| C5 | C4 | H4 | H4A | 118.3° | 119.9° |
| C4 | C5 | C6 | H5 | 120.0° | 119.9° |
| C4 | C5 | C6 | H5A | 120.0° | 120.0° |
| C4 | C5 | H5 | H5A | 119.3° | 120.1° |
| C4 | C5 | C6 | NE3 | 40.9° | 54.6° |
| C4 | C5 | C6 | H6 | 161.0° | 174.4° |
| C4 | C5 | C6 | H6A | 79.1° | 65.2° |
| C5 | C4 | CG3 | CB3 | 176.8° | 178.7° |
| C5 | C4 | CG3 | CD3 | 48.9° | 61.4° |
| C5 | C4 | CG3 | HG3 | 61.9° | 58.6° |
| H4 | C4 | C5 | C6 | 107.1° | 58.7° |
| H4 | C4 | C5 | H5 | 12.9° | 178.6° |
| H4 | C4 | C5 | H5A | 132.9° | 61.3° |
| H4 | C4 | CG3 | CB3 | 63.3° | 61.3° |
| H4 | C4 | CG3 | CD3 | 71.1° | 58.7° |
| H4 | C4 | CG3 | HG3 | 178.2° | 178.7° |
| H4A | C4 | C5 | C6 | 132.9° | 178.7° |
| H4A | C4 | C5 | H5 | 107.1° | 61.4° |
| H4A | C4 | C5 | H5A | 12.9° | 58.7° |
| H4A | C4 | CG3 | CB3 | 56.8° | 58.7° |
| H4A | C4 | CG3 | CD3 | 168.9° | 178.6° |
| H4A | C4 | CG3 | HG3 | 58.1° | 61.4° |
| C6 | C5 | H5 | H5A | 119.3° | 120.1° |
| C5 | C6 | NE3 | H6 | 120.0° | 119.8° |
| C5 | C6 | NE3 | H6A | 120.0° | 119.8° |
| C5 | C6 | H6 | H6A | 119.0° | 120.3° |
| C5 | C6 | NE3 | CD3 | 66.5° | 53.6° |
| C5 | C6 | NE3 | CZ3 | 116.5° | 126.4° |
| H5 | C5 | C6 | NE3 | 79.0° | 65.3° |
| H5 | C5 | C6 | H6 | 41.0° | 54.5° |
| H5 | C5 | C6 | H6A | 160.9° | 174.9° |
| H5A | C5 | C6 | NE3 | 161.0° | 174.6° |
| H5A | C5 | C6 | H6 | 79.0° | 65.6° |
| H5A | C5 | C6 | H6A | 40.9° | 54.8° |
| NE3 | C6 | H6 | H6A | 119.0° | 120.4° |
| C6 | NE3 | CD3 | CZ3 | 177.1° | 180.0° |
| C6 | NE3 | CD3 | HD3 | 149.9° | 66.1° |
| C6 | NE3 | CD3 | HD3A | 90.1° | 173.5° |
| C6 | NE3 | CD3 | CG3 | 29.9° | 53.6° |
| C6 | NE3 | CZ3 | NH1 | 14.5° | 5.5° |
| C6 | NE3 | CZ3 | NH2 | 170.7° | 174.6° |
| H6 | C6 | NE3 | CD3 | 173.5° | 173.4° |
| H6 | C6 | NE3 | CZ3 | 3.5° | 6.7° |
| H6A | C6 | NE3 | CD3 | 53.5° | 66.1° |
| H6A | C6 | NE3 | CZ3 | 123.5° | 113.8° |
| H7 | C7 | H7A | C8 | 117.6° | 119.9° |
| H7 | C7 | H7A | S | 117.5° | 120.0° |
| H7 | C7 | C8 | S | 120.0° | 120.0° |
| H7 | C7 | C8 | C9 | 138.9° | 150.0° |
| H7 | C7 | C8 | C13 | 50.5° | 29.7° |
| H7 | C7 | S | O1S | 70.2° | 171.7° |
| H7 | C7 | S | O2S | 67.2° | 51.6° |
| H7 | C7 | S | N1 | 177.4° | 60.0° |
| H7A | C7 | C8 | S | 120.0° | 120.0° |
| H7A | C7 | C8 | C9 | 18.9° | 30.0° |
| H7A | C7 | C8 | C13 | 170.5° | 149.7° |
| H7A | C7 | S | O1S | 49.8° | 51.7° |
| H7A | C7 | S | O2S | 172.8° | 171.6° |
| H7A | C7 | S | N1 | 62.6° | 60.0° |
| C7 | C8 | C9 | C13 | 170.7° | 179.7° |
| C7 | C8 | C9 | H9 | 3.3° | 0.0° |
| C7 | C8 | C9 | C10 | 176.6° | 180.0° |
| C7 | C8 | C13 | C12 | 158.0° | 179.7° |
| C7 | C8 | C13 | H13 | 21.9° | 0.3° |
| C8 | C7 | S | O1S | 169.8° | 68.4° |
| C8 | C7 | S | O2S | 52.8° | 68.4° |
| C8 | C7 | S | N1 | 57.4° | 180.0° |
| C8 | C9 | H9 | C10 | 180.0° | 180.0° |
| C8 | C9 | C10 | H10 | 164.0° | 180.0° |
| C8 | C9 | C10 | C11 | 16.1° | 0.0° |
| C9 | C8 | C13 | C12 | 12.2° | 0.6° |
| C9 | C8 | C13 | H13 | 167.8° | 180.0° |
| C9 | C8 | C7 | S | 101.1° | 90.0° |
| H9 | C9 | C10 | H10 | 16.1° | 0.0° |
| H9 | C9 | C10 | C11 | 163.9° | 180.0° |
| H9 | C9 | C8 | C13 | 174.0° | 179.7° |
| C9 | C10 | H10 | C11 | 180.0° | 180.0° |
| C9 | C10 | C11 | H11 | 172.2° | 180.0° |
| C9 | C10 | C11 | C12 | 7.7° | 0.0° |
| C10 | C9 | C8 | C13 | 5.9° | 0.3° |
| H10 | C10 | C11 | H11 | 7.7° | 0.1° |
| H10 | C10 | C11 | C12 | 172.3° | 180.0° |
| C10 | C11 | H11 | C12 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 10.6° | 0.3° |
| C10 | C11 | C12 | H12 | 169.4° | 179.9° |
| H11 | C11 | C12 | C13 | 169.4° | 179.7° |
| H11 | C11 | C12 | H12 | 10.6° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.8° |
| C11 | C12 | C13 | C8 | 20.7° | 0.6° |
| C11 | C12 | C13 | H13 | 159.4° | 180.0° |
| C12 | C13 | C8 | H13 | 180.0° | 179.4° |
| H12 | C12 | C13 | C8 | 159.3° | 179.6° |
| H12 | C12 | C13 | H13 | 20.6° | 0.3° |
| C13 | C8 | C7 | S | 69.5° | 90.3° |
| O1S | S | C7 | O2S | 137.4° | 136.8° |
| O1S | S | C7 | N1 | 112.4° | 111.6° |
| O1S | S | O2S | N1 | 116.8° | 116.7° |
| O1S | S | N1 | HN1 | 46.7° | 129.0° |
| O1S | S | N1 | CA1 | 166.7° | 51.1° |
| C7 | S | O2S | N1 | 116.1° | 111.7° |
| C7 | S | N1 | HN1 | 158.2° | 115.0° |
| C7 | S | N1 | CA1 | 81.8° | 65.0° |
| O2S | S | N1 | HN1 | 83.6° | 1.1° |
| O2S | S | N1 | CA1 | 36.4° | 178.9° |
| S | N1 | HN1 | CA1 | 132.1° | 179.9° |
| S | N1 | CA1 | C1 | 169.3° | 95.0° |
| S | N1 | CA1 | HA1 | 49.5° | 24.8° |
| S | N1 | CA1 | CB1 | 64.6° | 144.6° |
| HN1 | N1 | CA1 | C1 | 70.7° | 84.9° |
| HN1 | N1 | CA1 | HA1 | 169.5° | 155.2° |
| HN1 | N1 | CA1 | CB1 | 55.4° | 35.5° |
| C1 | CA1 | N1 | HA1 | 119.8° | 119.9° |
| C1 | CA1 | N1 | CB1 | 126.1° | 120.4° |
| C1 | CA1 | HA1 | CB1 | 118.5° | 120.3° |
| C1 | CA1 | CB1 | HB1 | 177.6° | 168.7° |
| C1 | CA1 | CB1 | HB1A | 62.4° | 70.9° |
| CA1 | C1 | N2 | CD1 | 13.3° | 2.4° |
| C1 | CA1 | CB1 | CG1 | 57.6° | 48.9° |
| O1 | C1 | CA1 | N1 | 19.9° | 42.3° |
| O1 | C1 | CA1 | HA1 | 95.0° | 77.6° |
| O1 | C1 | CA1 | CB1 | 149.9° | 162.4° |
| O1 | C1 | N2 | CD1 | 179.1° | 177.5° |
| N1 | CA1 | HA1 | CB1 | 122.8° | 119.8° |
| N1 | CA1 | CB1 | HB1 | 56.1° | 71.2° |
| N1 | CA1 | CB1 | HB1A | 63.9° | 49.2° |
| N1 | CA1 | CB1 | CG1 | 176.1° | 169.0° |
| HA1 | CA1 | CB1 | HB1 | 57.8° | 48.6° |
| HA1 | CA1 | CB1 | HB1A | 177.8° | 169.1° |
| HA1 | CA1 | CB1 | CG1 | 62.2° | 71.1° |
| CA1 | CB1 | HB1 | HB1A | 119.7° | 120.4° |
| CA1 | CB1 | HB1 | CG1 | 120.5° | 118.9° |
| CA1 | CB1 | HB1A | CG1 | 120.5° | 119.0° |
| CA1 | CB1 | CG1 | CD1 | 47.7° | 67.7° |
| CA1 | CB1 | CG1 | HG1 | 167.7° | 52.2° |
| CA1 | CB1 | CG1 | HG1A | 72.3° | 172.8° |
| HB1 | CB1 | HB1A | CG1 | 119.7° | 120.6° |
| HB1 | CB1 | CG1 | CD1 | 167.7° | 172.6° |
| HB1 | CB1 | CG1 | HG1 | 72.3° | 67.5° |
| HB1 | CB1 | CG1 | HG1A | 47.7° | 53.1° |
| HB1A | CB1 | CG1 | CD1 | 72.4° | 52.0° |
| HB1A | CB1 | CG1 | HG1 | 47.6° | 171.9° |
| HB1A | CB1 | CG1 | HG1A | 167.6° | 67.5° |
| N2 | CD1 | CG1 | HD1 | 120.0° | 120.5° |
| N2 | CD1 | CG1 | HD1A | 120.0° | 120.1° |
| N2 | CD1 | HD1 | HD1A | 118.1° | 119.5° |
| N2 | CD1 | CG1 | CB1 | 18.4° | 51.1° |
| N2 | CD1 | CG1 | HG1 | 138.4° | 69.0° |
| N2 | CD1 | CG1 | HG1A | 101.6° | 170.5° |
| CG1 | CD1 | HD1 | HD1A | 118.1° | 119.3° |
| CD1 | CG1 | CB1 | HG1 | 120.0° | 119.9° |
| CD1 | CG1 | CB1 | HG1A | 120.0° | 119.5° |
| CD1 | CG1 | HG1 | HG1A | 117.2° | 120.4° |
| HD1 | CD1 | CG1 | CB1 | 101.6° | 69.4° |
| HD1 | CD1 | CG1 | HG1 | 18.4° | 170.5° |
| HD1 | CD1 | CG1 | HG1A | 138.4° | 50.0° |
| HD1A | CD1 | CG1 | CB1 | 138.4° | 171.2° |
| HD1A | CD1 | CG1 | HG1 | 101.6° | 51.1° |
| HD1A | CD1 | CG1 | HG1A | 18.4° | 69.4° |
| CB1 | CG1 | HG1 | HG1A | 117.2° | 120.3° |
| N3 | CA3 | CB3 | HA3 | 109.6° | 120.0° |
| N3 | CA3 | CB3 | CG3 | 59.4° | 65.0° |
| N3 | CA3 | CB3 | HB3 | 60.6° | 55.0° |
| N3 | CA3 | CB3 | HB3A | 179.4° | 175.0° |
| CA3 | CB3 | CG3 | HB3 | 120.0° | 119.9° |
| CA3 | CB3 | CG3 | HB3A | 120.0° | 120.0° |
| CA3 | CB3 | HB3 | HB3A | 122.1° | 120.0° |
| CA3 | CB3 | CG3 | CD3 | 142.3° | 65.1° |
| CA3 | CB3 | CG3 | HG3 | 30.2° | 54.9° |
| HA3 | CA3 | CB3 | CG3 | 50.2° | 55.1° |
| HA3 | CA3 | CB3 | HB3 | 170.2° | 175.0° |
| HA3 | CA3 | CB3 | HB3A | 69.8° | 65.0° |
| CG3 | CB3 | HB3 | HB3A | 122.1° | 120.1° |
| CB3 | CG3 | CD3 | NE3 | 160.7° | 174.6° |
| CB3 | CG3 | CD3 | HD3 | 40.7° | 54.8° |
| CB3 | CG3 | CD3 | HD3A | 79.3° | 65.5° |
| CB3 | CG3 | CD3 | HG3 | 114.9° | 120.1° |
| HB3 | CB3 | CG3 | CD3 | 22.3° | 54.8° |
| HB3 | CB3 | CG3 | HG3 | 89.7° | 174.9° |
| HB3A | CB3 | CG3 | CD3 | 97.7° | 174.8° |
| HB3A | CB3 | CG3 | HG3 | 150.3° | 65.1° |
| NE3 | CD3 | HD3 | HD3A | 119.2° | 120.4° |
| NE3 | CD3 | HD3 | CG3 | 121.6° | 119.3° |
| NE3 | CD3 | HD3A | CG3 | 121.6° | 119.3° |
| NE3 | CD3 | CG3 | HG3 | 84.4° | 65.3° |
| CD3 | NE3 | CZ3 | NH1 | 168.7° | 174.4° |
| CD3 | NE3 | CZ3 | NH2 | 6.1° | 5.5° |
| HD3 | CD3 | HD3A | CG3 | 119.2° | 120.3° |
| HD3 | CD3 | NE3 | CZ3 | 32.9° | 113.8° |
| HD3 | CD3 | CG3 | HG3 | 155.6° | 174.9° |
| HD3A | CD3 | NE3 | CZ3 | 87.1° | 6.5° |
| HD3A | CD3 | CG3 | HG3 | 35.7° | 54.5° |
| CZ3 | NE3 | CD3 | CG3 | 152.9° | 126.4° |
| NE3 | CZ3 | NH1 | HNH1 | 174.7° | 5.0° |
| NE3 | CZ3 | NH1 | HNHA | 5.3° | 175.1° |
| NE3 | CZ3 | NH2 | HNH2 | 174.7° | 180.0° |
| NE3 | CZ3 | NH1 | NH2 | 174.7° | 179.9° |
| HNH1 | NH1 | HNHA | CZ3 | 180.0° | 180.0° |
| HNH1 | NH1 | CZ3 | NH2 | 0.0° | 175.1° |
| HNHA | NH1 | CZ3 | NH2 | 180.0° | 4.9° |
| HNH2 | NH2 | CZ3 | NH1 | 0.0° | 0.0° |
