LFS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAY | sing | 1.53Å | 1.52Å | |
| CAB | CAY | sing | 1.53Å | 1.50Å | |
| OAC | CAT | doub | 1.22Å | 1.21Å | |
| FAD | CAU | sing | 1.35Å | 1.04Å | |
| CAE | CAN | doub | 1.35Å | 1.30Å | Aromatic |
| CAE | NAQ | sing | 1.34Å | 1.30Å | Aromatic |
| CAF | CAJ | doub | 1.38Å | 1.37Å | Aromatic |
| CAF | CAU | sing | 1.38Å | 1.35Å | Aromatic |
| CAG | CAK | sing | 1.38Å | 1.38Å | Aromatic |
| CAG | CAU | doub | 1.38Å | 1.38Å | Aromatic |
| CAH | CAL | doub | 1.38Å | 1.38Å | Aromatic |
| CAH | CAV | sing | 1.39Å | 1.38Å | Aromatic |
| CAI | CAM | sing | 1.38Å | 1.38Å | Aromatic |
| CAI | CAV | doub | 1.39Å | 1.37Å | Aromatic |
| CAJ | CAX | sing | 1.38Å | 1.38Å | Aromatic |
| CAK | CAX | doub | 1.38Å | 1.37Å | Aromatic |
| CAL | CAW | sing | 1.38Å | 1.38Å | Aromatic |
| CAM | CAW | doub | 1.38Å | 1.38Å | Aromatic |
| CAN | NBA | sing | 1.37Å | 1.29Å | Aromatic |
| CAO | NAQ | doub | 1.30Å | 1.30Å | Aromatic |
| CAO | NBA | sing | 1.35Å | 1.32Å | Aromatic |
| CAP | CAZ | sing | 1.53Å | 1.49Å | |
| CAP | NBA | sing | 1.46Å | 1.44Å | |
| NAR | CAT | sing | 1.35Å | 1.32Å | |
| NAR | CAV | sing | 1.40Å | 1.31Å | |
| OAS | CAT | sing | 1.35Å | 1.31Å | |
| OAS | CAZ | sing | 1.45Å | 1.39Å | |
| CAW | CAY | sing | 1.51Å | 1.39Å | |
| CAX | CAZ | sing | 1.51Å | 1.38Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAPA | sing | 1.09Å | 1.10Å | |
| NAR | HNAR | sing | 0.97Å | 1.00Å | |
| CAY | HAY | sing | 1.09Å | 1.10Å | |
| CAZ | HAZ | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAY | CAB | 108.0° | 109.5° |
| CAA | CAY | CAW | 115.1° | 109.5° |
| CAY | CAA | HAA | 109.5° | 109.5° |
| CAY | CAA | HAAA | 109.5° | 109.5° |
| CAY | CAA | HAAB | 109.5° | 109.5° |
| CAA | CAY | HAY | 107.4° | 109.5° |
| CAB | CAY | CAW | 109.3° | 109.4° |
| CAY | CAB | HAB | 109.5° | 109.5° |
| CAY | CAB | HABA | 109.5° | 109.5° |
| CAY | CAB | HABB | 109.5° | 109.5° |
| CAB | CAY | HAY | 107.6° | 109.5° |
| OAC | CAT | NAR | 124.0° | 120.0° |
| OAC | CAT | OAS | 120.6° | 120.0° |
| FAD | CAU | CAF | 118.3° | 120.0° |
| FAD | CAU | CAG | 121.3° | 120.0° |
| CAN | CAE | NAQ | 108.7° | 108.0° |
| CAE | CAN | NBA | 108.1° | 106.8° |
| CAN | CAE | HAE | 125.6° | 126.0° |
| CAE | CAN | HAN | 125.9° | 126.6° |
| CAE | NAQ | CAO | 107.1° | 109.3° |
| NAQ | CAE | HAE | 125.7° | 126.0° |
| CAJ | CAF | CAU | 117.7° | 120.0° |
| CAF | CAJ | CAX | 123.7° | 120.0° |
| CAJ | CAF | HAF | 121.1° | 120.0° |
| CAF | CAJ | HAJ | 118.1° | 120.0° |
| CAF | CAU | CAG | 120.3° | 120.0° |
| CAU | CAF | HAF | 121.2° | 120.0° |
| CAK | CAG | CAU | 121.5° | 120.0° |
| CAG | CAK | CAX | 118.9° | 120.0° |
| CAK | CAG | HAG | 119.3° | 120.0° |
| CAG | CAK | HAK | 120.5° | 120.0° |
| CAU | CAG | HAG | 119.2° | 120.1° |
| CAL | CAH | CAV | 120.0° | 119.9° |
| CAH | CAL | CAW | 121.5° | 120.0° |
| CAL | CAH | HAH | 120.0° | 120.0° |
| CAH | CAL | HAL | 119.3° | 120.0° |
| CAH | CAV | CAI | 119.4° | 119.8° |
| CAH | CAV | NAR | 123.7° | 120.1° |
| CAV | CAH | HAH | 120.0° | 120.0° |
| CAM | CAI | CAV | 120.3° | 119.9° |
| CAI | CAM | CAW | 121.2° | 120.1° |
| CAM | CAI | HAI | 119.9° | 120.1° |
| CAI | CAM | HAM | 119.4° | 119.9° |
| CAI | CAV | NAR | 116.9° | 120.1° |
| CAV | CAI | HAI | 119.9° | 120.0° |
| CAJ | CAX | CAK | 117.9° | 120.0° |
| CAJ | CAX | CAZ | 122.1° | 120.0° |
| CAX | CAJ | HAJ | 118.2° | 120.0° |
| CAK | CAX | CAZ | 120.0° | 120.0° |
| CAX | CAK | HAK | 120.5° | 120.0° |
| CAL | CAW | CAM | 117.6° | 120.2° |
| CAL | CAW | CAY | 117.4° | 119.9° |
| CAW | CAL | HAL | 119.3° | 120.0° |
| CAM | CAW | CAY | 125.0° | 120.0° |
| CAW | CAM | HAM | 119.4° | 120.0° |
| CAN | NBA | CAO | 107.8° | 107.2° |
| CAN | NBA | CAP | 118.1° | 126.4° |
| NBA | CAN | HAN | 126.0° | 126.6° |
| NAQ | CAO | NBA | 108.2° | 108.7° |
| NAQ | CAO | HAO | 125.9° | 125.7° |
| CAO | NBA | CAP | 134.0° | 126.4° |
| NBA | CAO | HAO | 125.9° | 125.6° |
| CAZ | CAP | NBA | 116.6° | 109.5° |
| CAP | CAZ | OAS | 104.2° | 109.5° |
| CAP | CAZ | CAX | 106.6° | 109.5° |
| CAZ | CAP | HAP | 107.7° | 109.5° |
| CAZ | CAP | HAPA | 107.7° | 109.4° |
| CAP | CAZ | HAZ | 111.2° | 109.4° |
| NBA | CAP | HAP | 107.6° | 109.5° |
| NBA | CAP | HAPA | 107.7° | 109.4° |
| CAT | NAR | CAV | 122.7° | 120.0° |
| NAR | CAT | OAS | 115.4° | 120.0° |
| CAT | NAR | HNAR | 118.6° | 119.9° |
| CAV | NAR | HNAR | 118.7° | 120.1° |
| CAT | OAS | CAZ | 123.1° | 117.0° |
| OAS | CAZ | CAX | 108.5° | 109.5° |
| OAS | CAZ | HAZ | 112.9° | 109.5° |
| CAW | CAY | HAY | 109.1° | 109.5° |
| CAX | CAZ | HAZ | 113.1° | 109.5° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.4° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| HAB | CAB | HABA | 109.4° | 109.5° |
| HAB | CAB | HABB | 109.4° | 109.5° |
| HABA | CAB | HABB | 109.5° | 109.5° |
| HAP | CAP | HAPA | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAY | CAB | CAW | 126.0° | 120.0° |
| CAA | CAY | CAB | HAY | 115.7° | 120.0° |
| CAA | CAY | CAW | CAL | 173.5° | 120.0° |
| CAA | CAY | CAW | CAM | 5.6° | 60.0° |
| CAA | CAY | CAW | HAY | 120.9° | 120.0° |
| CAY | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAY | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAY | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAY | CAB | HAB | 180.0° | 60.0° |
| CAA | CAY | CAB | HABA | 60.0° | 180.0° |
| CAA | CAY | CAB | HABB | 60.0° | 60.0° |
| CAB | CAY | CAW | CAL | 64.7° | 120.0° |
| CAB | CAY | CAW | CAM | 116.1° | 60.0° |
| CAB | CAY | CAW | HAY | 117.4° | 120.0° |
| CAB | CAY | CAA | HAA | 180.0° | 60.0° |
| CAB | CAY | CAA | HAAA | 60.0° | 180.0° |
| CAB | CAY | CAA | HAAB | 60.0° | 59.9° |
| CAY | CAB | HAB | HABA | 120.0° | 120.0° |
| CAY | CAB | HAB | HABB | 120.0° | 120.0° |
| CAY | CAB | HABA | HABB | 120.0° | 120.0° |
| OAC | CAT | NAR | OAS | 177.8° | 179.9° |
| OAC | CAT | NAR | CAV | 0.8° | 5.3° |
| OAC | CAT | OAS | CAZ | 13.4° | 0.1° |
| OAC | CAT | NAR | HNAR | 179.2° | 174.7° |
| FAD | CAU | CAF | CAJ | 179.8° | 180.0° |
| FAD | CAU | CAF | CAG | 180.0° | 179.9° |
| FAD | CAU | CAG | CAK | 179.9° | 180.0° |
| FAD | CAU | CAF | HAF | 0.2° | 0.3° |
| FAD | CAU | CAG | HAG | 0.1° | 0.0° |
| CAN | CAE | NAQ | HAE | 180.0° | 179.8° |
| CAE | CAN | NBA | HAN | 180.0° | 179.9° |
| CAN | CAE | NAQ | CAO | 3.4° | 0.1° |
| CAE | CAN | NBA | CAO | 1.2° | 0.0° |
| CAE | CAN | NBA | CAP | 178.6° | 180.0° |
| NAQ | CAE | CAN | NBA | 2.8° | 0.0° |
| CAE | NAQ | CAO | NBA | 2.6° | 0.0° |
| NAQ | CAE | CAN | HAN | 177.2° | 180.0° |
| CAE | NAQ | CAO | HAO | 177.4° | 180.0° |
| CAJ | CAF | CAU | HAF | 180.0° | 179.7° |
| CAJ | CAF | CAU | CAG | 0.2° | 0.1° |
| CAF | CAJ | CAX | HAJ | 180.0° | 180.0° |
| CAF | CAJ | CAX | CAK | 1.1° | 0.1° |
| CAF | CAJ | CAX | CAZ | 179.5° | 180.0° |
| CAF | CAU | CAG | CAK | 0.0° | 0.1° |
| CAU | CAF | CAJ | CAX | 0.8° | 0.0° |
| CAF | CAU | CAG | HAG | 179.9° | 179.9° |
| CAU | CAF | CAJ | HAJ | 179.2° | 180.0° |
| CAK | CAG | CAU | HAG | 180.0° | 180.0° |
| CAG | CAK | CAX | CAJ | 0.9° | 0.0° |
| CAG | CAK | CAX | HAK | 180.0° | 179.9° |
| CAG | CAK | CAX | CAZ | 179.8° | 179.9° |
| CAU | CAG | CAK | CAX | 0.3° | 0.0° |
| CAG | CAU | CAF | HAF | 179.8° | 179.8° |
| CAU | CAG | CAK | HAK | 179.7° | 180.0° |
| CAL | CAH | CAV | HAH | 180.0° | 179.7° |
| CAL | CAH | CAV | CAI | 2.0° | 0.0° |
| CAH | CAL | CAW | HAL | 180.0° | 180.0° |
| CAH | CAL | CAW | CAM | 0.4° | 0.1° |
| CAL | CAH | CAV | NAR | 179.3° | 180.0° |
| CAH | CAL | CAW | CAY | 179.7° | 180.0° |
| CAH | CAV | CAI | CAM | 1.7° | 0.0° |
| CAH | CAV | CAI | NAR | 177.6° | 180.0° |
| CAV | CAH | CAL | CAW | 1.4° | 0.0° |
| CAH | CAV | NAR | CAT | 32.1° | 146.7° |
| CAH | CAV | CAI | HAI | 178.3° | 179.9° |
| CAV | CAH | CAL | HAL | 178.6° | 180.0° |
| CAH | CAV | NAR | HNAR | 148.0° | 33.2° |
| CAM | CAI | CAV | HAI | 180.0° | 179.9° |
| CAI | CAM | CAW | CAL | 0.1° | 0.1° |
| CAI | CAM | CAW | HAM | 180.0° | 179.9° |
| CAM | CAI | CAV | NAR | 179.2° | 180.0° |
| CAI | CAM | CAW | CAY | 179.3° | 179.9° |
| CAV | CAI | CAM | CAW | 0.7° | 0.1° |
| CAI | CAV | NAR | CAT | 150.5° | 33.3° |
| CAI | CAV | CAH | HAH | 178.1° | 179.7° |
| CAV | CAI | CAM | HAM | 179.2° | 180.0° |
| CAI | CAV | NAR | HNAR | 29.5° | 146.7° |
| CAJ | CAX | CAK | CAZ | 179.4° | 179.9° |
| CAJ | CAX | CAZ | CAP | 72.8° | 100.0° |
| CAJ | CAX | CAZ | OAS | 38.9° | 139.9° |
| CAX | CAJ | CAF | HAF | 179.2° | 179.7° |
| CAJ | CAX | CAK | HAK | 179.2° | 179.9° |
| CAJ | CAX | CAZ | HAZ | 164.8° | 19.9° |
| CAK | CAX | CAZ | CAP | 106.6° | 80.1° |
| CAK | CAX | CAZ | OAS | 141.8° | 40.0° |
| CAX | CAK | CAG | HAG | 179.7° | 180.0° |
| CAK | CAX | CAJ | HAJ | 178.9° | 180.0° |
| CAK | CAX | CAZ | HAZ | 15.8° | 160.0° |
| CAL | CAW | CAM | CAY | 179.2° | 180.0° |
| CAW | CAL | CAH | HAH | 178.6° | 179.7° |
| CAL | CAW | CAM | HAM | 179.9° | 180.0° |
| CAL | CAW | CAY | HAY | 52.7° | 0.0° |
| CAW | CAM | CAI | HAI | 179.2° | 180.0° |
| CAM | CAW | CAL | HAL | 179.6° | 180.0° |
| CAM | CAW | CAY | HAY | 126.5° | 180.0° |
| CAN | NBA | CAO | NAQ | 0.9° | 0.0° |
| CAN | NBA | CAO | CAP | 176.8° | 180.0° |
| CAN | NBA | CAP | CAZ | 81.1° | 90.0° |
| NBA | CAN | CAE | HAE | 177.1° | 179.8° |
| CAN | NBA | CAO | HAO | 179.1° | 179.9° |
| CAN | NBA | CAP | HAP | 40.0° | 30.0° |
| CAN | NBA | CAP | HAPA | 157.9° | 150.0° |
| NAQ | CAO | NBA | HAO | 180.0° | 179.9° |
| NAQ | CAO | NBA | CAP | 175.9° | 180.0° |
| CAO | NAQ | CAE | HAE | 176.6° | 179.8° |
| CAO | NBA | CAP | CAZ | 102.4° | 89.9° |
| CAO | NBA | CAN | HAN | 178.8° | 179.9° |
| CAO | NBA | CAP | HAP | 136.6° | 150.0° |
| CAO | NBA | CAP | HAPA | 18.6° | 30.0° |
| CAZ | CAP | NBA | HAP | 121.0° | 120.1° |
| CAZ | CAP | NBA | HAPA | 121.0° | 120.0° |
| CAP | CAZ | OAS | CAT | 134.8° | 89.9° |
| CAP | CAZ | OAS | CAX | 113.2° | 120.0° |
| CAP | CAZ | OAS | HAZ | 120.7° | 120.0° |
| CAP | CAZ | CAX | HAZ | 122.4° | 120.0° |
| CAZ | CAP | HAP | HAPA | 116.8° | 119.9° |
| NBA | CAP | CAZ | OAS | 76.3° | 65.0° |
| NBA | CAP | CAZ | CAX | 169.2° | 175.0° |
| CAP | NBA | CAN | HAN | 1.4° | 0.0° |
| CAP | NBA | CAO | HAO | 4.1° | 0.1° |
| NBA | CAP | HAP | HAPA | 116.8° | 120.0° |
| NBA | CAP | CAZ | HAZ | 45.6° | 55.0° |
| CAT | NAR | CAV | HNAR | 180.0° | 180.0° |
| NAR | CAT | OAS | CAZ | 168.7° | 180.0° |
| CAV | NAR | CAT | OAS | 177.0° | 174.6° |
| NAR | CAV | CAH | HAH | 0.7° | 0.3° |
| NAR | CAV | CAI | HAI | 0.8° | 0.1° |
| CAT | OAS | CAZ | CAX | 112.0° | 150.0° |
| OAS | CAT | NAR | HNAR | 3.1° | 5.4° |
| CAT | OAS | CAZ | HAZ | 14.1° | 30.1° |
| OAS | CAZ | CAX | HAZ | 126.0° | 120.0° |
| OAS | CAZ | CAP | HAP | 162.7° | 175.0° |
| OAS | CAZ | CAP | HAPA | 44.8° | 55.0° |
| CAW | CAY | CAA | HAA | 57.5° | 180.0° |
| CAW | CAY | CAA | HAAA | 177.5° | 60.0° |
| CAW | CAY | CAA | HAAB | 62.5° | 60.0° |
| CAW | CAY | CAB | HAB | 54.1° | 60.0° |
| CAW | CAY | CAB | HABA | 65.9° | 60.0° |
| CAW | CAY | CAB | HABB | 174.0° | 180.0° |
| CAY | CAW | CAL | HAL | 0.3° | 0.0° |
| CAY | CAW | CAM | HAM | 0.7° | 0.0° |
| CAZ | CAX | CAJ | HAJ | 0.5° | 0.1° |
| CAZ | CAX | CAK | HAK | 0.2° | 0.0° |
| CAX | CAZ | CAP | HAP | 48.1° | 54.9° |
| CAX | CAZ | CAP | HAPA | 69.8° | 65.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | CAY | HAY | 64.2° | 60.0° |
| HAAA | CAA | CAY | HAY | 55.8° | 60.0° |
| HAAB | CAA | CAY | HAY | 175.8° | 180.0° |
| HAB | CAB | HABA | HABB | 120.0° | 120.0° |
| HAB | CAB | CAY | HAY | 64.3° | 180.0° |
| HABA | CAB | CAY | HAY | 175.7° | 60.0° |
| HABB | CAB | CAY | HAY | 55.7° | 60.0° |
| HAE | CAE | CAN | HAN | 2.9° | 0.2° |
| HAF | CAF | CAJ | HAJ | 0.8° | 0.3° |
| HAG | CAG | CAK | HAK | 0.3° | 0.0° |
| HAH | CAH | CAL | HAL | 1.4° | 0.3° |
| HAI | CAI | CAM | HAM | 0.8° | 0.1° |
| HAP | CAP | CAZ | HAZ | 75.5° | 65.0° |
| HAPA | CAP | CAZ | HAZ | 166.6° | 175.0° |
