DRS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAX | sing | 1.53Å | 1.53Å | |
| CAX | CAB | sing | 1.53Å | 1.53Å | |
| CAX | CAZ | sing | 1.53Å | 1.53Å | |
| CAZ | CAU | sing | 1.51Å | 1.53Å | |
| CAZ | NAP | sing | 1.48Å | 1.47Å | |
| CAU | OAE | doub | 1.21Å | 1.23Å | |
| CAU | N | sing | 1.37Å | 1.33Å | |
| N | CA | sing | 1.48Å | 1.47Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| C | OXT | doub | 1.21Å | 1.23Å | |
| C | O | sing | 1.34Å | 1.23Å | |
| CB | CG | sing | 1.51Å | 1.53Å | |
| CG | CD2 | doub | 1.38Å | 1.39Å | Aromatic |
| CG | CD1 | sing | 1.38Å | 1.39Å | Aromatic |
| CD2 | CE2 | sing | 1.38Å | 1.39Å | Aromatic |
| CE2 | CZ | doub | 1.39Å | 1.39Å | Aromatic |
| CD1 | CE1 | doub | 1.38Å | 1.39Å | Aromatic |
| CE1 | CZ | sing | 1.39Å | 1.39Å | Aromatic |
| CZ | OH | sing | 1.36Å | 1.36Å | |
| OH | CAM | sing | 1.43Å | 1.44Å | |
| CAM | CAK | sing | 1.53Å | 1.53Å | |
| CAK | CAL | sing | 1.53Å | 1.53Å | |
| CAL | CAN | sing | 1.53Å | 1.53Å | |
| CAN | CAS | sing | 1.51Å | 1.53Å | |
| CAS | OAC | doub | 1.21Å | 1.23Å | |
| CAS | NAP | sing | 1.36Å | 1.33Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAX | HAX | 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 | |
| CAZ | HAZ | sing | 1.09Å | 1.10Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| NAP | HNAP | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAX | CAB | 112.5° | 109.5° |
| CAA | CAX | CAZ | 114.4° | 109.5° |
| CAX | CAA | HAA | 109.5° | 109.5° |
| CAX | CAA | HAAA | 109.5° | 109.5° |
| CAX | CAA | HAAB | 109.4° | 109.5° |
| CAA | CAX | HAX | 104.5° | 109.5° |
| CAB | CAX | CAZ | 111.7° | 109.5° |
| CAB | CAX | HAX | 107.6° | 109.5° |
| CAX | CAB | HAB | 109.5° | 109.5° |
| CAX | CAB | HABA | 109.5° | 109.5° |
| CAX | CAB | HABB | 109.5° | 109.5° |
| CAX | CAZ | CAU | 115.7° | 109.5° |
| CAX | CAZ | NAP | 113.9° | 109.5° |
| CAZ | CAX | HAX | 105.4° | 109.4° |
| CAX | CAZ | HAZ | 101.4° | 109.5° |
| CAU | CAZ | NAP | 109.1° | 108.9° |
| CAZ | CAU | OAE | 121.9° | 120.7° |
| CAZ | CAU | N | 113.8° | 118.5° |
| CAU | CAZ | HAZ | 107.0° | 109.6° |
| CAZ | NAP | CAS | 121.0° | 116.0° |
| NAP | CAZ | HAZ | 109.1° | 109.7° |
| CAZ | NAP | HNAP | 119.5° | 122.0° |
| OAE | CAU | N | 124.2° | 120.7° |
| CAU | N | CA | 123.3° | 114.5° |
| CAU | N | HN | 118.4° | 122.7° |
| N | CA | C | 108.6° | 109.7° |
| N | CA | CB | 107.5° | 108.3° |
| CA | N | HN | 118.3° | 122.8° |
| N | CA | HA | 111.4° | 109.7° |
| C | CA | CB | 109.7° | 109.7° |
| CA | C | OXT | 120.1° | 120.0° |
| CA | C | O | 120.7° | 120.0° |
| C | CA | HA | 109.2° | 109.7° |
| CA | CB | CG | 111.9° | 109.2° |
| CB | CA | HA | 110.3° | 109.8° |
| CA | CB | HB | 108.7° | 109.5° |
| CA | CB | HBA | 108.1° | 109.5° |
| OXT | C | O | 119.1° | 120.0° |
| C | O | HO | 109.5° | 117.0° |
| CB | CG | CD2 | 119.8° | 119.9° |
| CB | CG | CD1 | 120.5° | 119.9° |
| CG | CB | HB | 108.7° | 109.5° |
| CG | CB | HBA | 108.1° | 109.5° |
| CD2 | CG | CD1 | 119.7° | 120.1° |
| CG | CD2 | CE2 | 120.2° | 120.1° |
| CG | CD2 | HD2 | 119.9° | 120.0° |
| CG | CD1 | CE1 | 120.0° | 120.1° |
| CG | CD1 | HD1 | 120.0° | 120.0° |
| CD2 | CE2 | CZ | 120.2° | 119.9° |
| CE2 | CD2 | HD2 | 119.9° | 119.9° |
| CD2 | CE2 | HE2 | 119.9° | 120.0° |
| CE2 | CZ | CE1 | 119.4° | 119.8° |
| CE2 | CZ | OH | 122.1° | 120.1° |
| CZ | CE2 | HE2 | 119.9° | 120.0° |
| CD1 | CE1 | CZ | 120.5° | 120.0° |
| CE1 | CD1 | HD1 | 120.0° | 119.9° |
| CD1 | CE1 | HE1 | 119.8° | 120.1° |
| CE1 | CZ | OH | 118.4° | 120.0° |
| CZ | CE1 | HE1 | 119.8° | 120.0° |
| CZ | OH | CAM | 116.1° | 117.0° |
| OH | CAM | CAK | 109.3° | 109.5° |
| OH | CAM | HAM | 109.5° | 109.5° |
| OH | CAM | HAMA | 109.6° | 109.5° |
| CAM | CAK | CAL | 109.7° | 109.4° |
| CAK | CAM | HAM | 109.5° | 109.4° |
| CAK | CAM | HAMA | 109.6° | 109.5° |
| CAM | CAK | HAK | 109.4° | 109.5° |
| CAM | CAK | HAKA | 109.4° | 109.5° |
| CAK | CAL | CAN | 111.5° | 109.4° |
| CAL | CAK | HAK | 109.4° | 109.4° |
| CAL | CAK | HAKA | 109.3° | 109.5° |
| CAK | CAL | HAL | 108.8° | 109.5° |
| CAK | CAL | HALA | 108.3° | 109.5° |
| CAL | CAN | CAS | 111.7° | 109.5° |
| CAN | CAL | HAL | 108.8° | 109.5° |
| CAN | CAL | HALA | 108.4° | 109.5° |
| CAL | CAN | HAN | 108.7° | 109.5° |
| CAL | CAN | HANA | 108.2° | 109.5° |
| CAN | CAS | OAC | 120.4° | 120.4° |
| CAN | CAS | NAP | 115.8° | 119.2° |
| CAS | CAN | HAN | 108.7° | 109.5° |
| CAS | CAN | HANA | 108.2° | 109.4° |
| OAC | CAS | NAP | 123.8° | 120.4° |
| CAS | NAP | HNAP | 119.5° | 122.0° |
| HAA | CAA | HAAA | 109.4° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| HAB | CAB | HABA | 109.4° | 109.4° |
| HAB | CAB | HABB | 109.5° | 109.5° |
| HABA | CAB | HABB | 109.5° | 109.5° |
| HB | CB | HBA | 111.4° | 109.6° |
| HAM | CAM | HAMA | 109.3° | 109.5° |
| HAK | CAK | HAKA | 109.6° | 109.5° |
| HAL | CAL | HALA | 111.1° | 109.5° |
| HAN | CAN | HANA | 111.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAX | CAB | CAZ | 130.3° | 120.0° |
| CAA | CAX | CAB | HAX | 114.5° | 120.0° |
| CAA | CAX | CAZ | HAX | 114.2° | 120.0° |
| CAA | CAX | CAZ | CAU | 4.8° | 54.4° |
| CAA | CAX | CAZ | NAP | 132.4° | 173.8° |
| CAX | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAX | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAX | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAX | CAB | HAB | 58.3° | 67.7° |
| CAA | CAX | CAB | HABA | 61.7° | 172.4° |
| CAA | CAX | CAB | HABB | 178.3° | 52.4° |
| CAA | CAX | CAZ | HAZ | 110.6° | 65.8° |
| CAB | CAX | CAZ | HAX | 116.6° | 120.0° |
| CAB | CAX | CAZ | CAU | 124.5° | 174.4° |
| CAB | CAX | CAZ | NAP | 3.1° | 66.2° |
| CAB | CAX | CAA | HAA | 92.1° | 60.0° |
| CAB | CAX | CAA | HAAA | 27.8° | 180.0° |
| CAB | CAX | CAA | HAAB | 147.8° | 60.0° |
| CAX | CAB | HAB | HABA | 120.0° | 120.0° |
| CAX | CAB | HAB | HABB | 120.0° | 120.1° |
| CAX | CAB | HABA | HABB | 120.0° | 120.1° |
| CAB | CAX | CAZ | HAZ | 120.1° | 54.2° |
| CAX | CAZ | CAU | NAP | 129.9° | 119.8° |
| CAX | CAZ | CAU | HAZ | 112.1° | 120.2° |
| CAX | CAZ | NAP | HAZ | 112.5° | 120.2° |
| CAX | CAZ | CAU | OAE | 81.7° | 29.7° |
| CAX | CAZ | CAU | N | 101.0° | 150.3° |
| CAX | CAZ | NAP | CAS | 94.4° | 77.8° |
| CAZ | CAX | CAA | HAA | 139.0° | 180.0° |
| CAZ | CAX | CAA | HAAA | 101.1° | 60.0° |
| CAZ | CAX | CAA | HAAB | 19.0° | 60.0° |
| CAZ | CAX | CAB | HAB | 72.0° | 52.3° |
| CAZ | CAX | CAB | HABA | 168.0° | 67.6° |
| CAZ | CAX | CAB | HABB | 48.0° | 172.4° |
| CAX | CAZ | NAP | HNAP | 85.6° | 102.3° |
| CAU | CAZ | NAP | HAZ | 116.6° | 120.0° |
| CAZ | CAU | OAE | N | 177.1° | 180.0° |
| CAZ | CAU | N | CA | 177.8° | 179.1° |
| CAU | CAZ | NAP | CAS | 134.7° | 162.4° |
| CAU | CAZ | CAX | HAX | 118.9° | 65.6° |
| CAZ | CAU | N | HN | 2.1° | 1.0° |
| CAU | CAZ | NAP | HNAP | 45.4° | 17.5° |
| NAP | CAZ | CAU | OAE | 48.2° | 90.1° |
| NAP | CAZ | CAU | N | 129.1° | 89.9° |
| CAZ | NAP | CAS | CAN | 174.3° | 179.9° |
| CAZ | NAP | CAS | OAC | 4.0° | 0.1° |
| CAZ | NAP | CAS | HNAP | 180.0° | 179.9° |
| NAP | CAZ | CAX | HAX | 113.5° | 53.8° |
| OAE | CAU | N | CA | 0.6° | 0.9° |
| OAE | CAU | CAZ | HAZ | 166.2° | 149.9° |
| OAE | CAU | N | HN | 179.4° | 179.0° |
| CAU | N | CA | HN | 180.0° | 179.9° |
| CAU | N | CA | C | 121.3° | 95.2° |
| CAU | N | CA | CB | 120.0° | 145.1° |
| N | CAU | CAZ | HAZ | 11.1° | 30.2° |
| CAU | N | CA | HA | 0.9° | 25.3° |
| N | CA | C | CB | 117.3° | 118.8° |
| N | CA | C | HA | 121.7° | 120.6° |
| N | CA | CB | HA | 121.6° | 119.8° |
| N | CA | C | OXT | 63.7° | 20.0° |
| N | CA | C | O | 114.7° | 160.0° |
| N | CA | CB | CG | 41.0° | 19.7° |
| N | CA | CB | HB | 79.0° | 100.3° |
| N | CA | CB | HBA | 160.0° | 139.6° |
| C | CA | CB | HA | 120.4° | 120.6° |
| CA | C | OXT | O | 178.4° | 180.0° |
| C | CA | CB | CG | 159.0° | 139.3° |
| C | CA | N | HN | 58.7° | 84.8° |
| CA | C | O | HO | 178.4° | 180.0° |
| C | CA | CB | HB | 39.0° | 19.4° |
| C | CA | CB | HBA | 82.0° | 100.8° |
| CB | CA | C | OXT | 53.6° | 98.8° |
| CB | CA | C | O | 127.9° | 81.2° |
| CA | CB | CG | HB | 120.0° | 120.0° |
| CA | CB | CG | HBA | 119.0° | 119.9° |
| CA | CB | CG | CD2 | 117.0° | 78.2° |
| CA | CB | CG | CD1 | 61.8° | 101.6° |
| CB | CA | N | HN | 60.0° | 34.8° |
| CA | CB | HB | HBA | 119.0° | 120.1° |
| OXT | C | CA | HA | 174.6° | 140.6° |
| OXT | C | O | HO | 0.0° | 0.0° |
| O | C | CA | HA | 6.9° | 39.4° |
| CB | CG | CD2 | CD1 | 178.8° | 179.8° |
| CB | CG | CD2 | CE2 | 178.8° | 179.6° |
| CB | CG | CD1 | CE1 | 178.6° | 179.7° |
| CG | CB | CA | HA | 80.6° | 100.1° |
| CG | CB | HB | HBA | 119.0° | 120.1° |
| CB | CG | CD2 | HD2 | 1.2° | 0.4° |
| CB | CG | CD1 | HD1 | 1.4° | 0.4° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CZ | 0.1° | 0.0° |
| CD2 | CG | CD1 | CE1 | 0.2° | 0.2° |
| CD2 | CG | CB | HB | 3.0° | 41.8° |
| CD2 | CG | CB | HBA | 124.0° | 161.9° |
| CG | CD2 | CE2 | HE2 | 180.0° | 180.0° |
| CD2 | CG | CD1 | HD1 | 179.8° | 179.8° |
| CD1 | CG | CD2 | CE2 | 0.0° | 0.2° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CG | CD1 | CE1 | CZ | 0.3° | 0.1° |
| CD1 | CG | CB | HB | 178.2° | 138.4° |
| CD1 | CG | CB | HBA | 57.2° | 18.2° |
| CD1 | CG | CD2 | HD2 | 180.0° | 179.8° |
| CG | CD1 | CE1 | HE1 | 179.7° | 179.9° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | CE1 | 0.0° | 0.3° |
| CD2 | CE2 | CZ | OH | 178.6° | 179.5° |
| CE2 | CZ | CE1 | CD1 | 0.2° | 0.3° |
| CE2 | CZ | CE1 | OH | 178.6° | 179.8° |
| CE2 | CZ | OH | CAM | 33.3° | 61.1° |
| CZ | CE2 | CD2 | HD2 | 180.0° | 180.0° |
| CE2 | CZ | CE1 | HE1 | 179.8° | 179.7° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | OH | 178.4° | 179.5° |
| CE1 | CZ | OH | CAM | 148.1° | 118.7° |
| CE1 | CZ | CE2 | HE2 | 179.9° | 179.7° |
| CZ | CE1 | CD1 | HD1 | 179.7° | 180.0° |
| CZ | OH | CAM | CAK | 65.4° | 70.3° |
| OH | CZ | CE2 | HE2 | 1.5° | 0.5° |
| OH | CZ | CE1 | HE1 | 1.6° | 0.5° |
| CZ | OH | CAM | HAM | 54.6° | 49.6° |
| CZ | OH | CAM | HAMA | 174.5° | 169.6° |
| OH | CAM | CAK | HAM | 120.0° | 120.0° |
| OH | CAM | CAK | HAMA | 120.1° | 120.0° |
| OH | CAM | CAK | CAL | 39.3° | 159.7° |
| OH | CAM | HAM | HAMA | 120.1° | 120.0° |
| OH | CAM | CAK | HAK | 80.7° | 80.4° |
| OH | CAM | CAK | HAKA | 159.2° | 39.7° |
| CAM | CAK | CAL | HAK | 120.0° | 119.9° |
| CAM | CAK | CAL | HAKA | 119.9° | 120.0° |
| CAM | CAK | CAL | CAN | 171.9° | 147.0° |
| CAK | CAM | HAM | HAMA | 120.1° | 120.0° |
| CAM | CAK | HAK | HAKA | 120.0° | 120.0° |
| CAM | CAK | CAL | HAL | 68.1° | 27.0° |
| CAM | CAK | CAL | HALA | 52.7° | 93.0° |
| CAK | CAL | CAN | HAL | 120.0° | 120.0° |
| CAK | CAL | CAN | HALA | 119.1° | 120.0° |
| CAK | CAL | CAN | CAS | 54.7° | 94.5° |
| CAL | CAK | CAM | HAM | 159.3° | 39.7° |
| CAL | CAK | CAM | HAMA | 80.8° | 80.3° |
| CAL | CAK | HAK | HAKA | 119.9° | 120.0° |
| CAK | CAL | HAL | HALA | 119.2° | 120.0° |
| CAK | CAL | CAN | HAN | 65.3° | 145.5° |
| CAK | CAL | CAN | HANA | 173.8° | 25.5° |
| CAL | CAN | CAS | HAN | 120.0° | 120.0° |
| CAL | CAN | CAS | HANA | 119.1° | 120.0° |
| CAL | CAN | CAS | OAC | 80.7° | 70.6° |
| CAL | CAN | CAS | NAP | 97.7° | 109.5° |
| CAN | CAL | CAK | HAK | 51.8° | 93.1° |
| CAN | CAL | CAK | HAKA | 68.2° | 27.0° |
| CAN | CAL | HAL | HALA | 119.2° | 120.0° |
| CAL | CAN | HAN | HANA | 119.1° | 120.0° |
| CAN | CAS | OAC | NAP | 178.2° | 180.0° |
| CAS | CAN | CAL | HAL | 174.7° | 25.4° |
| CAS | CAN | CAL | HALA | 64.4° | 145.4° |
| CAS | CAN | HAN | HANA | 119.1° | 120.0° |
| CAN | CAS | NAP | HNAP | 5.7° | 0.2° |
| OAC | CAS | CAN | HAN | 39.3° | 49.5° |
| OAC | CAS | CAN | HANA | 160.3° | 169.4° |
| OAC | CAS | NAP | HNAP | 176.0° | 179.8° |
| CAS | NAP | CAZ | HAZ | 18.0° | 42.4° |
| NAP | CAS | CAN | HAN | 142.3° | 130.5° |
| NAP | CAS | CAN | HANA | 21.4° | 10.5° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | CAX | HAX | 24.3° | 60.0° |
| HAAA | CAA | CAX | HAX | 144.2° | 60.0° |
| HAAB | CAA | CAX | HAX | 95.7° | 180.0° |
| HAX | CAX | CAB | HAB | 172.8° | 172.3° |
| HAX | CAX | CAB | HABA | 52.8° | 52.4° |
| HAX | CAX | CAB | HABB | 67.2° | 67.6° |
| HAX | CAX | CAZ | HAZ | 3.6° | 174.2° |
| HAB | CAB | HABA | HABB | 120.0° | 120.0° |
| HAZ | CAZ | NAP | HNAP | 162.0° | 137.5° |
| HN | N | CA | HA | 179.1° | 154.6° |
| HA | CA | CB | HB | 159.4° | 140.0° |
| HA | CA | CB | HBA | 38.4° | 19.8° |
| HD2 | CD2 | CE2 | HE2 | 0.0° | 0.0° |
| HD1 | CD1 | CE1 | HE1 | 0.3° | 0.1° |
| HAM | CAM | CAK | HAK | 39.3° | 159.7° |
| HAM | CAM | CAK | HAKA | 80.8° | 80.3° |
| HAMA | CAM | CAK | HAK | 159.3° | 39.7° |
| HAMA | CAM | CAK | HAKA | 39.1° | 159.8° |
| HAK | CAK | CAL | HAL | 171.8° | 147.0° |
| HAK | CAK | CAL | HALA | 67.3° | 26.9° |
| HAKA | CAK | CAL | HAL | 51.8° | 93.0° |
| HAKA | CAK | CAL | HALA | 172.6° | 147.0° |
| HAL | CAL | CAN | HAN | 54.7° | 94.6° |
| HAL | CAL | CAN | HANA | 66.2° | 145.4° |
| HALA | CAL | CAN | HAN | 175.6° | 25.4° |
| HALA | CAL | CAN | HANA | 54.7° | 94.6° |
