00Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CX | NY | sing | 1.35Å | 1.34Å | |
| CX | CAX | sing | 1.51Å | 1.52Å | |
| NX | C | sing | 1.35Å | 1.31Å | |
| OX | CX | doub | 1.21Å | 1.25Å | |
| CY | CAY | sing | 1.53Å | 1.55Å | |
| OY | CY | sing | 1.43Å | 1.25Å | |
| CAX | NX | sing | 1.47Å | 1.50Å | |
| CAY | NY | sing | 1.47Å | 1.45Å | |
| CAY | CBY | sing | 1.53Å | 1.54Å | |
| CBX | CAX | sing | 1.54Å | 1.51Å | |
| CBX | CGX | sing | 1.55Å | 1.51Å | |
| CBY | CGY | sing | 1.53Å | 1.50Å | |
| CDX | NX | sing | 1.47Å | 1.47Å | |
| CDY | NEY | sing | 1.46Å | 1.43Å | |
| NEY | CZY | sing | 1.37Å | 1.31Å | |
| CGX | CDX | sing | 1.55Å | 1.51Å | |
| CGY | CDY | sing | 1.53Å | 1.47Å | |
| NH1 | HNH1 | sing | 0.97Å | 1.00Å | |
| CZY | NH1 | doub | 1.30Å | 1.36Å | |
| CZY | NH2 | sing | 1.38Å | 1.33Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| N | CA | sing | 1.47Å | 1.50Å | |
| S1 | C17 | sing | 1.71Å | 1.81Å | Aromatic |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CB | CG | sing | 1.51Å | 1.50Å | |
| CG | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
| CZ | CE2 | sing | 1.38Å | 1.41Å | Aromatic |
| N11 | C17 | doub | 1.28Å | 1.28Å | Aromatic |
| C17 | CY | sing | 1.51Å | 1.88Å | |
| C21 | N11 | sing | 1.35Å | 1.37Å | Aromatic |
| C31 | C21 | sing | 1.41Å | 1.42Å | Aromatic |
| C41 | C31 | doub | 1.36Å | 1.38Å | Aromatic |
| C51 | C41 | sing | 1.39Å | 1.44Å | Aromatic |
| C51 | C61 | doub | 1.38Å | 1.40Å | Aromatic |
| C61 | C71 | sing | 1.39Å | 1.41Å | Aromatic |
| C71 | S1 | sing | 1.76Å | 1.77Å | Aromatic |
| C71 | C21 | doub | 1.40Å | 1.41Å | Aromatic |
| CD1 | CG | doub | 1.38Å | 1.40Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.42Å | Aromatic |
| CD2 | CE2 | doub | 1.38Å | 1.43Å | Aromatic |
| CE1 | CZ | doub | 1.38Å | 1.41Å | Aromatic |
| CY | HY | sing | 1.09Å | 1.10Å | |
| NY | HNY | sing | 0.97Å | 1.00Å | |
| OY | HOY | sing | 0.97Å | 0.95Å | |
| CAX | HAX | sing | 1.09Å | 1.10Å | |
| CAY | HAY | sing | 1.09Å | 1.10Å | |
| CBX | HBX | sing | 1.09Å | 1.10Å | |
| CBX | HBXA | sing | 1.09Å | 1.10Å | |
| CBY | HBY | sing | 1.09Å | 1.10Å | |
| CBY | HBYA | sing | 1.09Å | 1.10Å | |
| CDX | HDX | sing | 1.09Å | 1.10Å | |
| CDX | H12 | sing | 1.09Å | 1.10Å | |
| CDY | HDY | sing | 1.09Å | 1.10Å | |
| CDY | HDYA | sing | 1.09Å | 1.10Å | |
| NEY | HNEY | sing | 0.97Å | 1.00Å | |
| CGX | HGX | sing | 1.09Å | 1.10Å | |
| CGX | H17 | sing | 1.09Å | 1.10Å | |
| CGY | HGY | sing | 1.09Å | 1.10Å | |
| CGY | HGYA | sing | 1.09Å | 1.10Å | |
| NH2 | HNH2 | sing | 0.97Å | 1.00Å | |
| NH2 | HNHA | sing | 0.97Å | 1.00Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C51 | H51 | sing | 1.08Å | 1.08Å | |
| C61 | H61 | sing | 1.08Å | 1.08Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NY | CX | CAX | 117.5° | 120.0° |
| NY | CX | OX | 121.0° | 120.0° |
| CX | NY | CAY | 127.7° | 120.0° |
| CX | NY | HNY | 116.1° | 120.0° |
| CAX | CX | OX | 120.9° | 120.0° |
| CX | CAX | NX | 109.8° | 109.9° |
| CX | CAX | CBX | 116.3° | 109.9° |
| CX | CAX | HAX | 103.2° | 109.9° |
| C | NX | CAX | 120.7° | 125.7° |
| C | NX | CDX | 127.5° | 125.6° |
| NX | C | O | 126.1° | 119.9° |
| NX | C | CA | 118.9° | 120.0° |
| CAY | CY | OY | 118.9° | 109.4° |
| CY | CAY | NY | 113.6° | 109.5° |
| CY | CAY | CBY | 105.5° | 109.5° |
| CAY | CY | C17 | 111.0° | 109.5° |
| CAY | CY | HY | 100.2° | 109.5° |
| CY | CAY | HAY | 111.4° | 109.4° |
| OY | CY | C17 | 105.3° | 109.5° |
| OY | CY | HY | 106.6° | 109.4° |
| CY | OY | HOY | 109.5° | 114.0° |
| NX | CAX | CBX | 105.1° | 107.3° |
| CAX | NX | CDX | 111.8° | 108.7° |
| NX | CAX | HAX | 114.7° | 109.9° |
| NY | CAY | CBY | 115.0° | 109.5° |
| CAY | NY | HNY | 116.1° | 120.0° |
| NY | CAY | HAY | 101.3° | 109.4° |
| CAY | CBY | CGY | 113.2° | 109.5° |
| CBY | CAY | HAY | 110.0° | 109.5° |
| CAY | CBY | HBY | 108.2° | 109.5° |
| CAY | CBY | HBYA | 108.2° | 109.5° |
| CAX | CBX | CGX | 108.7° | 102.9° |
| CBX | CAX | HAX | 108.0° | 110.0° |
| CAX | CBX | HBX | 109.7° | 110.7° |
| CAX | CBX | HBXA | 109.7° | 110.7° |
| CBX | CGX | CDX | 107.6° | 101.5° |
| CGX | CBX | HBX | 109.7° | 110.7° |
| CGX | CBX | HBXA | 109.7° | 110.8° |
| CBX | CGX | HGX | 110.1° | 111.0° |
| CBX | CGX | H17 | 110.1° | 111.0° |
| CBY | CGY | CDY | 110.8° | 109.5° |
| CGY | CBY | HBY | 108.2° | 109.4° |
| CGY | CBY | HBYA | 108.2° | 109.4° |
| CBY | CGY | HGY | 109.0° | 109.5° |
| CBY | CGY | HGYA | 109.0° | 109.4° |
| NX | CDX | CGX | 106.6° | 104.7° |
| NX | CDX | HDX | 110.4° | 110.3° |
| NX | CDX | H12 | 110.4° | 110.4° |
| CDY | NEY | CZY | 129.0° | 120.0° |
| NEY | CDY | CGY | 111.6° | 109.5° |
| NEY | CDY | HDY | 108.7° | 109.5° |
| NEY | CDY | HDYA | 108.8° | 109.5° |
| CDY | NEY | HNEY | 115.4° | 120.0° |
| NEY | CZY | NH1 | 115.3° | 120.0° |
| NEY | CZY | NH2 | 119.8° | 120.0° |
| CZY | NEY | HNEY | 115.5° | 120.0° |
| CGX | CDX | HDX | 110.4° | 110.5° |
| CGX | CDX | H12 | 110.4° | 110.4° |
| CDX | CGX | HGX | 110.1° | 111.2° |
| CDX | CGX | H17 | 110.1° | 110.9° |
| CGY | CDY | HDY | 108.8° | 109.4° |
| CGY | CDY | HDYA | 108.8° | 109.4° |
| CDY | CGY | HGY | 109.0° | 109.5° |
| CDY | CGY | HGYA | 109.0° | 109.4° |
| HNH1 | NH1 | CZY | 112.0° | 120.0° |
| NH1 | CZY | NH2 | 123.3° | 119.9° |
| CZY | NH2 | HNH2 | 120.0° | 119.9° |
| CZY | NH2 | HNHA | 120.0° | 120.0° |
| O | C | CA | 114.9° | 120.0° |
| C | CA | N | 105.7° | 109.5° |
| C | CA | CB | 112.9° | 109.5° |
| C | CA | HA | 109.3° | 109.5° |
| N | CA | CB | 107.9° | 109.4° |
| CA | N | HN | 109.5° | 111.0° |
| CA | N | HNA | 109.5° | 111.1° |
| N | CA | HA | 114.2° | 109.5° |
| S1 | C17 | N11 | 115.8° | 111.6° |
| S1 | C17 | CY | 104.0° | 124.2° |
| C17 | S1 | C71 | 85.4° | 90.8° |
| CA | CB | CG | 112.3° | 109.5° |
| CB | CA | HA | 107.1° | 109.5° |
| CA | CB | HB | 108.5° | 109.5° |
| CA | CB | HBA | 108.6° | 109.5° |
| CB | CG | CD2 | 120.7° | 120.0° |
| CB | CG | CD1 | 118.7° | 120.0° |
| CG | CB | HB | 108.6° | 109.5° |
| CG | CB | HBA | 108.6° | 109.5° |
| CD2 | CG | CD1 | 120.5° | 120.0° |
| CG | CD2 | CE2 | 119.4° | 120.0° |
| CG | CD2 | HD2 | 120.3° | 120.0° |
| CZ | CE2 | CD2 | 120.5° | 120.0° |
| CE2 | CZ | CE1 | 119.3° | 120.0° |
| CE2 | CZ | HZ | 120.3° | 120.0° |
| CZ | CE2 | HE2 | 119.8° | 120.0° |
| N11 | C17 | CY | 139.8° | 124.2° |
| C17 | N11 | C21 | 110.5° | 117.8° |
| C17 | CY | HY | 115.2° | 109.5° |
| N11 | C21 | C31 | 123.6° | 129.7° |
| N11 | C21 | C71 | 115.0° | 111.8° |
| C21 | C31 | C41 | 119.4° | 120.4° |
| C31 | C21 | C71 | 117.2° | 118.5° |
| C21 | C31 | H31 | 120.3° | 119.8° |
| C31 | C41 | C51 | 120.4° | 120.8° |
| C41 | C31 | H31 | 120.3° | 119.8° |
| C31 | C41 | H41 | 119.8° | 119.6° |
| C41 | C51 | C61 | 118.3° | 120.1° |
| C51 | C41 | H41 | 119.8° | 119.6° |
| C41 | C51 | H51 | 120.8° | 119.9° |
| C51 | C61 | C71 | 118.7° | 119.9° |
| C61 | C51 | H51 | 120.9° | 120.0° |
| C51 | C61 | H61 | 120.6° | 120.1° |
| C61 | C71 | S1 | 126.3° | 131.7° |
| C61 | C71 | C21 | 120.3° | 120.3° |
| C71 | C61 | H61 | 120.7° | 120.0° |
| S1 | C71 | C21 | 107.9° | 108.0° |
| CG | CD1 | CE1 | 120.1° | 120.0° |
| CG | CD1 | HD1 | 119.9° | 120.0° |
| CD1 | CE1 | CZ | 120.1° | 120.0° |
| CE1 | CD1 | HD1 | 119.9° | 120.0° |
| CD1 | CE1 | HE1 | 119.9° | 120.0° |
| CE2 | CD2 | HD2 | 120.3° | 120.0° |
| CD2 | CE2 | HE2 | 119.8° | 120.0° |
| CE1 | CZ | HZ | 120.4° | 120.0° |
| CZ | CE1 | HE1 | 120.0° | 120.0° |
| HBX | CBX | HBXA | 109.2° | 110.8° |
| HBY | CBY | HBYA | 110.7° | 109.5° |
| HDX | CDX | H12 | 108.5° | 110.4° |
| HDY | CDY | HDYA | 110.2° | 109.5° |
| HGX | CGX | H17 | 108.9° | 111.0° |
| HGY | CGY | HGYA | 109.9° | 109.4° |
| HNH2 | NH2 | HNHA | 120.0° | 120.0° |
| HN | N | HNA | 109.4° | 111.0° |
| HB | CB | HBA | 110.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NY | CX | CAX | OX | 171.1° | 179.7° |
| CX | NY | CAY | CY | 113.0° | 84.9° |
| NY | CX | CAX | NX | 141.8° | 180.0° |
| CX | NY | CAY | HNY | 180.0° | 179.9° |
| CX | NY | CAY | CBY | 125.2° | 155.0° |
| NY | CX | CAX | CBX | 99.0° | 62.2° |
| NY | CX | CAX | HAX | 19.1° | 58.9° |
| CX | NY | CAY | HAY | 6.6° | 35.0° |
| CX | CAX | NX | C | 54.2° | 59.5° |
| CX | CAX | NX | CBX | 125.8° | 119.4° |
| CX | CAX | NX | HAX | 115.7° | 121.0° |
| CAX | CX | NY | CAY | 178.2° | 180.0° |
| CX | CAX | CBX | HAX | 115.4° | 121.1° |
| CX | CAX | CBX | CGX | 123.8° | 97.2° |
| CX | CAX | NX | CDX | 125.5° | 120.7° |
| CAX | CX | NY | HNY | 1.8° | 0.1° |
| CX | CAX | CBX | HBX | 3.8° | 21.1° |
| CX | CAX | CBX | HBXA | 116.2° | 144.4° |
| C | NX | CAX | CDX | 179.8° | 179.8° |
| C | NX | CAX | CBX | 180.0° | 178.9° |
| C | NX | CDX | CGX | 177.8° | 155.8° |
| NX | C | O | CA | 176.6° | 180.0° |
| NX | C | CA | N | 132.7° | 160.1° |
| NX | C | CA | CB | 109.7° | 80.0° |
| C | NX | CAX | HAX | 61.5° | 61.5° |
| C | NX | CDX | HDX | 57.8° | 85.3° |
| C | NX | CDX | H12 | 62.2° | 37.0° |
| NX | C | CA | HA | 9.4° | 40.0° |
| OX | CX | CAX | NX | 29.3° | 0.3° |
| OX | CX | NY | CAY | 7.1° | 0.3° |
| OX | CX | CAX | CBX | 89.9° | 118.1° |
| OX | CX | NY | HNY | 172.9° | 179.8° |
| OX | CX | CAX | HAX | 152.0° | 120.8° |
| CAY | CY | OY | C17 | 125.1° | 120.1° |
| CAY | CY | OY | HY | 112.1° | 120.0° |
| CY | CAY | NY | CBY | 121.8° | 120.0° |
| CY | CAY | NY | HAY | 119.6° | 119.9° |
| CY | CAY | CBY | HAY | 120.4° | 120.0° |
| CY | CAY | CBY | CGY | 161.3° | 175.0° |
| CAY | CY | C17 | S1 | 79.5° | 105.0° |
| CAY | CY | C17 | N11 | 92.1° | 75.0° |
| CAY | CY | C17 | HY | 113.0° | 120.1° |
| CY | CAY | NY | HNY | 67.0° | 95.0° |
| CAY | CY | OY | HOY | 180.0° | 60.1° |
| CY | CAY | CBY | HBY | 78.7° | 65.0° |
| CY | CAY | CBY | HBYA | 41.3° | 55.0° |
| OY | CY | CAY | NY | 167.2° | 180.0° |
| OY | CY | CAY | CBY | 65.9° | 60.0° |
| OY | CY | C17 | S1 | 50.4° | 135.0° |
| OY | CY | C17 | N11 | 138.0° | 45.0° |
| OY | CY | C17 | HY | 117.1° | 119.9° |
| OY | CY | CAY | HAY | 53.5° | 60.1° |
| NX | CAX | CBX | HAX | 122.9° | 119.5° |
| NX | CAX | CBX | CGX | 2.1° | 22.2° |
| CAX | NX | CDX | CGX | 2.5° | 24.4° |
| CAX | NX | C | O | 1.0° | 0.0° |
| CAX | NX | C | CA | 175.4° | 180.0° |
| NX | CAX | CBX | HBX | 117.9° | 140.5° |
| NX | CAX | CBX | HBXA | 122.1° | 96.2° |
| CAX | NX | CDX | HDX | 122.5° | 94.5° |
| CAX | NX | CDX | H12 | 117.5° | 143.3° |
| NY | CAY | CBY | HAY | 113.6° | 120.0° |
| NY | CAY | CBY | CGY | 72.6° | 65.0° |
| NY | CAY | CY | C17 | 45.0° | 60.0° |
| NY | CAY | CY | HY | 77.2° | 60.1° |
| NY | CAY | CBY | HBY | 47.4° | 55.0° |
| NY | CAY | CBY | HBYA | 167.4° | 175.0° |
| CAY | CBY | CGY | HBY | 120.0° | 120.0° |
| CAY | CBY | CGY | HBYA | 120.0° | 120.0° |
| CAY | CBY | CGY | CDY | 174.8° | 180.0° |
| CBY | CAY | CY | C17 | 171.8° | 180.0° |
| CBY | CAY | CY | HY | 49.7° | 59.9° |
| CBY | CAY | NY | HNY | 54.8° | 25.0° |
| CAY | CBY | HBY | HBYA | 118.5° | 120.0° |
| CAY | CBY | CGY | HGY | 54.8° | 59.9° |
| CAY | CBY | CGY | HGYA | 65.2° | 60.0° |
| CAX | CBX | CGX | HBX | 120.0° | 118.4° |
| CAX | CBX | CGX | HBXA | 120.0° | 118.3° |
| CBX | CAX | NX | CDX | 0.2° | 1.3° |
| CAX | CBX | CGX | CDX | 3.7° | 35.7° |
| CAX | CBX | HBX | HBXA | 120.3° | 123.2° |
| CAX | CBX | CGX | HGX | 123.7° | 82.5° |
| CAX | CBX | CGX | H17 | 116.3° | 153.5° |
| CBX | CGX | CDX | NX | 3.7° | 37.3° |
| CBX | CGX | CDX | HGX | 120.0° | 118.1° |
| CBX | CGX | CDX | H17 | 120.0° | 118.0° |
| CGX | CBX | CAX | HAX | 120.8° | 141.7° |
| CGX | CBX | HBX | HBXA | 120.3° | 123.3° |
| CBX | CGX | CDX | HDX | 123.7° | 81.5° |
| CBX | CGX | CDX | H12 | 116.3° | 156.1° |
| CBX | CGX | HGX | H17 | 120.7° | 124.0° |
| CBY | CGY | CDY | NEY | 168.1° | 180.0° |
| CBY | CGY | CDY | HGY | 120.0° | 120.1° |
| CBY | CGY | CDY | HGYA | 120.0° | 120.0° |
| CGY | CBY | CAY | HAY | 41.0° | 55.0° |
| CGY | CBY | HBY | HBYA | 118.4° | 119.9° |
| CBY | CGY | CDY | HDY | 48.2° | 60.0° |
| CBY | CGY | CDY | HDYA | 71.8° | 60.0° |
| CBY | CGY | HGY | HGYA | 119.5° | 120.0° |
| NX | CDX | CGX | HDX | 120.0° | 118.8° |
| NX | CDX | CGX | H12 | 120.0° | 118.8° |
| CDX | NX | C | O | 179.3° | 179.7° |
| CDX | NX | C | CA | 4.3° | 0.3° |
| CDX | NX | CAX | HAX | 118.8° | 118.3° |
| NX | CDX | HDX | H12 | 121.2° | 122.3° |
| NX | CDX | CGX | HGX | 123.8° | 80.8° |
| NX | CDX | CGX | H17 | 116.2° | 155.3° |
| CDY | NEY | CZY | HNEY | 180.0° | 180.0° |
| NEY | CDY | CGY | HDY | 120.0° | 120.0° |
| NEY | CDY | CGY | HDYA | 120.0° | 120.0° |
| CDY | NEY | CZY | NH1 | 3.0° | 0.0° |
| CDY | NEY | CZY | NH2 | 163.1° | 180.0° |
| NEY | CDY | HDY | HDYA | 119.1° | 120.1° |
| NEY | CDY | CGY | HGY | 48.1° | 60.0° |
| NEY | CDY | CGY | HGYA | 71.9° | 60.0° |
| CZY | NEY | CDY | CGY | 171.9° | 180.0° |
| NEY | CZY | NH1 | HNH1 | 165.5° | 180.0° |
| NEY | CZY | NH1 | NH2 | 165.5° | 180.0° |
| CZY | NEY | CDY | HDY | 68.1° | 60.0° |
| CZY | NEY | CDY | HDYA | 51.9° | 60.0° |
| NEY | CZY | NH2 | HNH2 | 164.9° | 0.1° |
| NEY | CZY | NH2 | HNHA | 15.1° | 180.0° |
| CDX | CGX | CBX | HBX | 116.3° | 154.0° |
| CDX | CGX | CBX | HBXA | 123.7° | 82.7° |
| CGX | CDX | HDX | H12 | 121.2° | 122.4° |
| CDX | CGX | HGX | H17 | 120.8° | 123.9° |
| CDY | CGY | CBY | HBY | 65.2° | 60.0° |
| CDY | CGY | CBY | HBYA | 54.8° | 60.0° |
| CGY | CDY | HDY | HDYA | 119.1° | 119.9° |
| CGY | CDY | NEY | HNEY | 8.1° | 0.0° |
| CDY | CGY | HGY | HGYA | 119.4° | 119.9° |
| HNH1 | NH1 | CZY | NH2 | 0.0° | 0.1° |
| NH1 | CZY | NEY | HNEY | 177.0° | 180.0° |
| NH1 | CZY | NH2 | HNH2 | 0.0° | 180.0° |
| NH1 | CZY | NH2 | HNHA | 180.0° | 0.1° |
| NH2 | CZY | NEY | HNEY | 16.9° | 0.1° |
| CZY | NH2 | HNH2 | HNHA | 180.0° | 179.9° |
| O | C | CA | N | 44.2° | 20.0° |
| O | C | CA | CB | 73.5° | 100.0° |
| O | C | CA | HA | 167.4° | 140.0° |
| C | CA | N | CB | 121.0° | 120.0° |
| C | CA | N | HA | 120.1° | 120.0° |
| C | CA | CB | HA | 120.3° | 120.0° |
| C | CA | CB | CG | 71.9° | 175.0° |
| C | CA | N | HN | 180.0° | 176.0° |
| C | CA | N | HNA | 60.0° | 60.0° |
| C | CA | CB | HB | 48.1° | 55.0° |
| C | CA | CB | HBA | 168.1° | 65.0° |
| N | CA | CB | HA | 123.3° | 120.0° |
| N | CA | CB | CG | 171.8° | 65.0° |
| CA | N | HN | HNA | 120.0° | 124.0° |
| N | CA | CB | HB | 68.2° | 175.0° |
| N | CA | CB | HBA | 51.8° | 55.0° |
| S1 | C17 | N11 | CY | 171.0° | 180.0° |
| S1 | C17 | N11 | C21 | 9.0° | 0.0° |
| C17 | S1 | C71 | C61 | 174.2° | 180.0° |
| C17 | S1 | C71 | C21 | 20.6° | 0.0° |
| S1 | C17 | CY | HY | 167.5° | 15.1° |
| CA | CB | CG | HB | 120.0° | 120.0° |
| CA | CB | CG | HBA | 120.0° | 120.0° |
| CA | CB | CG | CD2 | 123.9° | 90.0° |
| CA | CB | CG | CD1 | 59.0° | 89.7° |
| CB | CA | N | HN | 59.0° | 64.0° |
| CB | CA | N | HNA | 61.0° | 60.0° |
| CA | CB | HB | HBA | 118.9° | 120.0° |
| CB | CG | CD2 | CD1 | 177.0° | 179.7° |
| CB | CG | CD1 | CE1 | 179.9° | 180.0° |
| CB | CG | CD2 | CE2 | 177.0° | 180.0° |
| CG | CB | CA | HA | 48.5° | 55.0° |
| CG | CB | HB | HBA | 118.9° | 120.0° |
| CB | CG | CD1 | HD1 | 0.1° | 0.1° |
| CB | CG | CD2 | HD2 | 3.0° | 0.0° |
| CG | CD2 | CE2 | CZ | 1.7° | 0.0° |
| CD2 | CG | CD1 | CE1 | 3.0° | 0.3° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.9° |
| CD2 | CG | CB | HB | 3.9° | 30.0° |
| CD2 | CG | CB | HBA | 116.1° | 150.0° |
| CD2 | CG | CD1 | HD1 | 177.0° | 179.8° |
| CG | CD2 | CE2 | HE2 | 178.3° | 179.7° |
| CE2 | CZ | CE1 | CD1 | 2.8° | 0.3° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 179.6° |
| CE2 | CZ | CE1 | HZ | 180.0° | 179.7° |
| CZ | CE2 | CD2 | HD2 | 178.3° | 180.0° |
| CE2 | CZ | CE1 | HE1 | 177.2° | 179.8° |
| C17 | N11 | C21 | C31 | 164.8° | 180.0° |
| N11 | C17 | S1 | C71 | 18.1° | 0.0° |
| C17 | N11 | C21 | C71 | 8.7° | 0.0° |
| N11 | C17 | CY | HY | 20.9° | 165.0° |
| CY | C17 | N11 | C21 | 180.0° | 179.9° |
| CY | C17 | S1 | C71 | 167.9° | 179.9° |
| C17 | CY | OY | HOY | 54.9° | 60.0° |
| C17 | CY | CAY | HAY | 68.7° | 60.0° |
| N11 | C21 | C31 | C71 | 155.7° | 180.0° |
| N11 | C21 | C31 | C41 | 175.3° | 179.9° |
| N11 | C21 | C71 | C61 | 177.3° | 180.0° |
| N11 | C21 | C71 | S1 | 21.9° | 0.0° |
| N11 | C21 | C31 | H31 | 4.6° | 0.0° |
| C21 | C31 | C41 | H31 | 180.0° | 180.0° |
| C21 | C31 | C41 | C51 | 0.8° | 0.1° |
| C31 | C21 | C71 | C61 | 24.9° | 0.0° |
| C31 | C21 | C71 | S1 | 179.7° | 180.0° |
| C21 | C31 | C41 | H41 | 179.2° | 180.0° |
| C31 | C41 | C51 | H41 | 180.0° | 179.9° |
| C31 | C41 | C51 | C61 | 16.8° | 0.1° |
| C41 | C31 | C21 | C71 | 19.6° | 0.0° |
| C31 | C41 | C51 | H51 | 163.2° | 180.0° |
| C41 | C51 | C61 | H51 | 180.0° | 180.0° |
| C41 | C51 | C61 | C71 | 11.6° | 0.0° |
| C51 | C41 | C31 | H31 | 179.3° | 180.0° |
| C41 | C51 | C61 | H61 | 168.4° | 180.0° |
| C51 | C61 | C71 | H61 | 180.0° | 180.0° |
| C51 | C61 | C71 | S1 | 159.7° | 180.0° |
| C51 | C61 | C71 | C21 | 9.1° | 0.0° |
| C61 | C51 | C41 | H41 | 163.2° | 180.0° |
| C61 | C71 | S1 | C21 | 153.5° | 180.0° |
| C71 | C61 | C51 | H51 | 168.4° | 179.9° |
| S1 | C71 | C61 | H61 | 20.3° | 0.0° |
| C71 | C21 | C31 | H31 | 160.3° | 180.0° |
| C21 | C71 | C61 | H61 | 170.9° | 179.9° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CD1 | CG | CD2 | CE2 | 0.0° | 0.3° |
| CG | CD1 | CE1 | CZ | 4.5° | 0.0° |
| CD1 | CG | CB | HB | 179.0° | 150.3° |
| CD1 | CG | CB | HBA | 61.0° | 30.3° |
| CD1 | CG | CD2 | HD2 | 180.0° | 179.7° |
| CG | CD1 | CE1 | HE1 | 175.5° | 179.9° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | HZ | 177.3° | 180.0° |
| CD2 | CE2 | CZ | CE1 | 0.3° | 0.3° |
| CD2 | CE2 | CZ | HZ | 179.7° | 180.0° |
| CZ | CE1 | CD1 | HD1 | 175.5° | 180.0° |
| CE1 | CZ | CE2 | HE2 | 179.7° | 180.0° |
| HY | CY | OY | HOY | 67.9° | 180.0° |
| HY | CY | CAY | HAY | 169.1° | 180.0° |
| HNY | NY | CAY | HAY | 173.4° | 145.1° |
| HAX | CAX | CBX | HBX | 119.2° | 100.0° |
| HAX | CAX | CBX | HBXA | 0.8° | 23.3° |
| HAY | CAY | CBY | HBY | 161.0° | 175.0° |
| HAY | CAY | CBY | HBYA | 79.0° | 65.0° |
| HBX | CBX | CGX | HGX | 3.7° | 35.8° |
| HBX | CBX | CGX | H17 | 123.7° | 88.1° |
| HBXA | CBX | CGX | HGX | 116.3° | 159.1° |
| HBXA | CBX | CGX | H17 | 3.7° | 35.2° |
| HBY | CBY | CGY | HGY | 174.8° | 180.0° |
| HBY | CBY | CGY | HGYA | 54.8° | 60.0° |
| HBYA | CBY | CGY | HGY | 65.2° | 60.1° |
| HBYA | CBY | CGY | HGYA | 174.8° | 180.0° |
| HDX | CDX | CGX | HGX | 116.2° | 160.4° |
| HDX | CDX | CGX | H17 | 3.8° | 36.5° |
| H12 | CDX | CGX | HGX | 3.7° | 38.0° |
| H12 | CDX | CGX | H17 | 123.8° | 85.9° |
| HDY | CDY | NEY | HNEY | 111.9° | 120.0° |
| HDY | CDY | CGY | HGY | 71.8° | 60.1° |
| HDY | CDY | CGY | HGYA | 168.2° | 180.0° |
| HDYA | CDY | NEY | HNEY | 128.1° | 119.9° |
| HDYA | CDY | CGY | HGY | 168.2° | 180.0° |
| HDYA | CDY | CGY | HGYA | 48.2° | 60.0° |
| HN | N | CA | HA | 59.9° | 56.0° |
| HNA | N | CA | HA | 179.9° | 180.0° |
| HA | CA | CB | HB | 168.5° | 65.0° |
| HA | CA | CB | HBA | 71.5° | 175.0° |
| HZ | CZ | CE1 | HE1 | 2.7° | 0.0° |
| HZ | CZ | CE2 | HE2 | 0.3° | 0.3° |
| H31 | C31 | C41 | H41 | 0.8° | 0.0° |
| H41 | C41 | C51 | H51 | 16.8° | 0.1° |
| H51 | C51 | C61 | H61 | 11.6° | 0.1° |
| HD1 | CD1 | CE1 | HE1 | 4.5° | 0.0° |
| HD2 | CD2 | CE2 | HE2 | 1.7° | 0.4° |
