ZTD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAW | sing | 1.51Å | 1.52Å | |
| CAW | CAK | sing | 1.41Å | 1.36Å | Aromatic |
| CAW | NAQ | doub | 1.30Å | 1.32Å | Aromatic |
| CAK | CAZ | doub | 1.36Å | 1.33Å | Aromatic |
| NAQ | OAT | sing | 1.21Å | 1.42Å | Aromatic |
| OAT | CAZ | sing | 1.34Å | 1.35Å | Aromatic |
| CAZ | CAM | sing | 1.51Å | 1.51Å | |
| CAM | CAU | sing | 1.51Å | 1.50Å | |
| CAU | OAB | doub | 1.21Å | 1.21Å | |
| CAU | N | sing | 1.35Å | 1.36Å | |
| N | CD2 | sing | 1.47Å | 1.49Å | |
| N | CA | sing | 1.47Å | 1.48Å | |
| CD2 | CG | sing | 1.55Å | 1.50Å | |
| CG | OD1 | sing | 1.43Å | 1.44Å | |
| CG | CB | sing | 1.55Å | 1.50Å | |
| CB | CA | sing | 1.54Å | 1.54Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | NAR | sing | 1.35Å | 1.34Å | |
| NAR | CAL | sing | 1.47Å | 1.48Å | |
| CAL | CAX | sing | 1.51Å | 1.53Å | |
| CAX | CAF | doub | 1.38Å | 1.41Å | Aromatic |
| CAX | CAE | sing | 1.38Å | 1.41Å | Aromatic |
| CAF | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | CAY | doub | 1.40Å | 1.40Å | Aromatic |
| CAE | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAG | CAY | sing | 1.40Å | 1.41Å | Aromatic |
| CAY | CBA | sing | 1.48Å | 1.51Å | |
| CBA | OAS | sing | 1.35Å | 1.38Å | |
| CBA | OAD | doub | 1.21Å | 1.24Å | |
| CAI | OAS | sing | 1.45Å | 1.49Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAM | HAM1 | sing | 1.09Å | 1.10Å | |
| CAM | HAM2 | sing | 1.09Å | 1.10Å | |
| CD2 | HD21 | sing | 1.09Å | 1.10Å | |
| CD2 | HD22 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| OD1 | HD1 | sing | 0.97Å | 0.95Å | |
| CB | HB1C | sing | 1.09Å | 1.10Å | |
| CB | HB2C | sing | 1.09Å | 1.10Å | |
| NAR | HAR | sing | 0.97Å | 1.00Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAI | HAI1 | sing | 1.09Å | 1.10Å | |
| CAI | HAI2 | sing | 1.09Å | 1.10Å | |
| CAI | HAI3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAW | CAK | 126.8° | 126.8° |
| CAA | CAW | NAQ | 120.5° | 126.9° |
| CAW | CAA | HAA1 | 109.5° | 109.4° |
| CAW | CAA | HAA2 | 109.5° | 109.4° |
| CAW | CAA | HAA3 | 109.4° | 109.5° |
| CAK | CAW | NAQ | 112.7° | 106.4° |
| CAW | CAK | CAZ | 107.9° | 104.0° |
| CAW | CAK | HAK | 126.0° | 128.0° |
| CAW | NAQ | OAT | 101.9° | 111.6° |
| CAK | CAZ | OAT | 106.3° | 106.4° |
| CAK | CAZ | CAM | 132.8° | 126.8° |
| CAZ | CAK | HAK | 126.0° | 127.9° |
| NAQ | OAT | CAZ | 111.1° | 111.6° |
| OAT | CAZ | CAM | 120.9° | 126.8° |
| CAZ | CAM | CAU | 104.3° | 109.5° |
| CAZ | CAM | HAM1 | 110.8° | 109.5° |
| CAZ | CAM | HAM2 | 110.8° | 109.5° |
| CAM | CAU | OAB | 117.6° | 120.0° |
| CAM | CAU | N | 123.1° | 120.0° |
| CAU | CAM | HAM1 | 110.7° | 109.4° |
| CAU | CAM | HAM2 | 110.7° | 109.5° |
| OAB | CAU | N | 119.3° | 120.0° |
| CAU | N | CD2 | 123.8° | 125.7° |
| CAU | N | CA | 124.5° | 125.6° |
| CD2 | N | CA | 111.0° | 108.7° |
| N | CD2 | CG | 104.7° | 104.9° |
| N | CD2 | HD21 | 110.6° | 110.4° |
| N | CD2 | HD22 | 110.6° | 110.3° |
| N | CA | CB | 102.8° | 107.2° |
| N | CA | C | 108.7° | 109.8° |
| N | CA | HA | 112.9° | 109.9° |
| CD2 | CG | OD1 | 104.2° | 111.0° |
| CD2 | CG | CB | 104.6° | 101.6° |
| CG | CD2 | HD21 | 110.7° | 110.4° |
| CG | CD2 | HD22 | 110.6° | 110.3° |
| CD2 | CG | HG | 111.8° | 111.0° |
| OD1 | CG | CB | 111.0° | 111.0° |
| OD1 | CG | HG | 112.8° | 110.9° |
| CG | OD1 | HD1 | 109.5° | 114.0° |
| CG | CB | CA | 104.6° | 103.1° |
| CB | CG | HG | 111.8° | 111.1° |
| CG | CB | HB1C | 110.7° | 110.7° |
| CG | CB | HB2C | 110.7° | 110.7° |
| CB | CA | C | 108.0° | 110.0° |
| CB | CA | HA | 111.9° | 109.8° |
| CA | CB | HB1C | 110.6° | 110.8° |
| CA | CB | HB2C | 110.7° | 110.5° |
| CA | C | O | 121.5° | 120.0° |
| CA | C | NAR | 115.7° | 120.0° |
| C | CA | HA | 112.0° | 110.0° |
| O | C | NAR | 122.8° | 120.0° |
| C | NAR | CAL | 121.2° | 120.0° |
| C | NAR | HAR | 119.4° | 120.0° |
| NAR | CAL | CAX | 109.9° | 109.5° |
| CAL | NAR | HAR | 119.4° | 120.0° |
| NAR | CAL | HAL1 | 109.4° | 109.5° |
| NAR | CAL | HAL2 | 109.4° | 109.5° |
| CAL | CAX | CAF | 119.0° | 119.9° |
| CAL | CAX | CAE | 120.1° | 119.8° |
| CAX | CAL | HAL1 | 109.3° | 109.4° |
| CAX | CAL | HAL2 | 109.4° | 109.5° |
| CAF | CAX | CAE | 120.9° | 120.3° |
| CAX | CAF | CAH | 120.1° | 120.1° |
| CAX | CAF | HAF | 119.9° | 119.9° |
| CAX | CAE | CAG | 119.1° | 120.1° |
| CAX | CAE | HAE | 120.4° | 119.9° |
| CAF | CAH | CAY | 118.8° | 119.8° |
| CAH | CAF | HAF | 119.9° | 120.0° |
| CAF | CAH | HAH | 120.6° | 120.1° |
| CAH | CAY | CAG | 121.7° | 119.7° |
| CAH | CAY | CBA | 117.6° | 120.1° |
| CAY | CAH | HAH | 120.6° | 120.1° |
| CAE | CAG | CAY | 119.4° | 119.9° |
| CAG | CAE | HAE | 120.5° | 120.0° |
| CAE | CAG | HAG | 120.3° | 120.0° |
| CAG | CAY | CBA | 120.8° | 120.1° |
| CAY | CAG | HAG | 120.3° | 120.1° |
| CAY | CBA | OAS | 117.4° | 120.0° |
| CAY | CBA | OAD | 119.8° | 120.0° |
| OAS | CBA | OAD | 122.6° | 120.0° |
| CBA | OAS | CAI | 112.7° | 117.0° |
| OAS | CAI | HAI1 | 109.5° | 109.5° |
| OAS | CAI | HAI2 | 109.5° | 109.5° |
| OAS | CAI | HAI3 | 109.5° | 109.4° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
| HAM1 | CAM | HAM2 | 109.5° | 109.5° |
| HD21 | CD2 | HD22 | 109.5° | 110.4° |
| HB1C | CB | HB2C | 109.5° | 110.8° |
| HAL1 | CAL | HAL2 | 109.5° | 109.5° |
| HAI1 | CAI | HAI2 | 109.5° | 109.5° |
| HAI1 | CAI | HAI3 | 109.5° | 109.5° |
| HAI2 | CAI | HAI3 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAW | CAK | NAQ | 177.8° | 179.7° |
| CAA | CAW | CAK | CAZ | 179.3° | 180.0° |
| CAA | CAW | NAQ | OAT | 179.1° | 179.9° |
| CAW | CAA | HAA1 | HAA2 | 120.0° | 119.9° |
| CAW | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| CAW | CAA | HAA2 | HAA3 | 119.9° | 120.0° |
| CAA | CAW | CAK | HAK | 0.7° | 0.1° |
| CAW | CAK | CAZ | HAK | 180.0° | 179.9° |
| CAK | CAW | NAQ | OAT | 1.1° | 0.2° |
| CAW | CAK | CAZ | OAT | 1.1° | 0.2° |
| CAW | CAK | CAZ | CAM | 177.8° | 180.0° |
| CAK | CAW | CAA | HAA1 | 177.7° | 90.1° |
| CAK | CAW | CAA | HAA2 | 57.7° | 150.0° |
| CAK | CAW | CAA | HAA3 | 62.3° | 30.0° |
| NAQ | CAW | CAK | CAZ | 1.5° | 0.2° |
| CAW | NAQ | OAT | CAZ | 0.4° | 0.1° |
| NAQ | CAW | CAA | HAA1 | 0.0° | 90.2° |
| NAQ | CAW | CAA | HAA2 | 120.0° | 29.7° |
| NAQ | CAW | CAA | HAA3 | 120.0° | 149.7° |
| NAQ | CAW | CAK | HAK | 178.5° | 179.9° |
| CAK | CAZ | OAT | NAQ | 0.4° | 0.1° |
| CAK | CAZ | OAT | CAM | 179.1° | 179.8° |
| CAK | CAZ | CAM | CAU | 72.0° | 90.0° |
| CAK | CAZ | CAM | HAM1 | 168.8° | 150.1° |
| CAK | CAZ | CAM | HAM2 | 47.2° | 30.1° |
| NAQ | OAT | CAZ | CAM | 178.6° | 179.9° |
| OAT | CAZ | CAM | CAU | 109.2° | 89.7° |
| OAT | CAZ | CAK | HAK | 178.9° | 179.9° |
| OAT | CAZ | CAM | HAM1 | 10.0° | 30.2° |
| OAT | CAZ | CAM | HAM2 | 131.6° | 150.2° |
| CAZ | CAM | CAU | HAM1 | 119.2° | 119.9° |
| CAZ | CAM | CAU | HAM2 | 119.2° | 120.1° |
| CAZ | CAM | CAU | OAB | 82.7° | 0.1° |
| CAZ | CAM | CAU | N | 96.8° | 180.0° |
| CAM | CAZ | CAK | HAK | 2.2° | 0.1° |
| CAZ | CAM | HAM1 | HAM2 | 122.4° | 120.0° |
| CAM | CAU | OAB | N | 179.6° | 179.9° |
| CAM | CAU | N | CD2 | 7.9° | 0.1° |
| CAM | CAU | N | CA | 177.8° | 179.7° |
| CAU | CAM | HAM1 | HAM2 | 122.4° | 120.0° |
| OAB | CAU | N | CD2 | 172.6° | 180.0° |
| OAB | CAU | N | CA | 2.7° | 0.2° |
| OAB | CAU | CAM | HAM1 | 158.1° | 120.0° |
| OAB | CAU | CAM | HAM2 | 36.5° | 120.0° |
| CAU | N | CD2 | CA | 171.1° | 179.8° |
| CAU | N | CD2 | CG | 179.8° | 155.9° |
| CAU | N | CA | CB | 158.5° | 178.8° |
| CAU | N | CA | C | 44.2° | 61.7° |
| N | CAU | CAM | HAM1 | 22.4° | 60.0° |
| N | CAU | CAM | HAM2 | 144.0° | 59.9° |
| CAU | N | CD2 | HD21 | 60.6° | 37.0° |
| CAU | N | CD2 | HD22 | 61.0° | 85.3° |
| CAU | N | CA | HA | 80.8° | 59.5° |
| N | CD2 | CG | HD21 | 119.2° | 118.9° |
| N | CD2 | CG | HD22 | 119.2° | 118.8° |
| N | CD2 | CG | OD1 | 89.0° | 81.1° |
| N | CD2 | CG | CB | 27.6° | 36.9° |
| CD2 | N | CA | CB | 12.5° | 1.4° |
| CD2 | N | CA | C | 126.8° | 118.1° |
| N | CD2 | HD21 | HD22 | 122.2° | 122.2° |
| CD2 | N | CA | HA | 108.2° | 120.6° |
| N | CD2 | CG | HG | 148.8° | 155.1° |
| CA | N | CD2 | CG | 9.1° | 24.3° |
| N | CA | CB | CG | 29.4° | 21.9° |
| N | CA | CB | C | 114.8° | 119.4° |
| N | CA | CB | HA | 121.4° | 119.4° |
| N | CA | C | HA | 125.5° | 121.1° |
| N | CA | C | O | 38.7° | 18.5° |
| N | CA | C | NAR | 142.8° | 161.5° |
| CA | N | CD2 | HD21 | 128.3° | 143.2° |
| CA | N | CD2 | HD22 | 110.1° | 94.5° |
| N | CA | CB | HB1C | 148.6° | 140.4° |
| N | CA | CB | HB2C | 89.8° | 96.4° |
| CD2 | CG | OD1 | CB | 112.1° | 112.2° |
| CD2 | CG | OD1 | HG | 121.5° | 123.9° |
| CD2 | CG | CB | HG | 121.2° | 118.1° |
| CD2 | CG | CB | CA | 35.7° | 35.3° |
| CG | CD2 | HD21 | HD22 | 122.2° | 122.3° |
| CD2 | CG | OD1 | HD1 | 180.0° | 61.4° |
| CD2 | CG | CB | HB1C | 154.9° | 153.8° |
| CD2 | CG | CB | HB2C | 83.5° | 82.9° |
| OD1 | CG | CB | HG | 126.9° | 123.9° |
| OD1 | CG | CB | CA | 76.1° | 82.7° |
| OD1 | CG | CD2 | HD21 | 30.2° | 37.8° |
| OD1 | CG | CD2 | HD22 | 151.8° | 160.1° |
| OD1 | CG | CB | HB1C | 43.1° | 35.8° |
| OD1 | CG | CB | HB2C | 164.6° | 159.1° |
| CG | CB | CA | HB1C | 119.2° | 118.5° |
| CG | CB | CA | HB2C | 119.2° | 118.3° |
| CG | CB | CA | C | 144.2° | 141.3° |
| CB | CG | CD2 | HD21 | 146.8° | 155.8° |
| CB | CG | CD2 | HD22 | 91.6° | 81.8° |
| CG | CB | CA | HA | 92.1° | 97.5° |
| CB | CG | OD1 | HD1 | 67.9° | 173.6° |
| CG | CB | HB1C | HB2C | 122.3° | 123.2° |
| CB | CA | C | HA | 123.7° | 121.1° |
| CB | CA | C | O | 72.1° | 99.3° |
| CB | CA | C | NAR | 106.4° | 80.7° |
| CA | CB | CG | HG | 156.9° | 153.4° |
| CA | CB | HB1C | HB2C | 122.2° | 123.0° |
| CA | C | O | NAR | 178.5° | 180.0° |
| CA | C | NAR | CAL | 178.3° | 180.0° |
| C | CA | CB | HB1C | 96.6° | 100.2° |
| C | CA | CB | HB2C | 25.0° | 23.0° |
| CA | C | NAR | HAR | 1.7° | 0.0° |
| O | C | NAR | CAL | 0.2° | 0.0° |
| O | C | CA | HA | 164.2° | 139.6° |
| O | C | NAR | HAR | 179.8° | 180.0° |
| C | NAR | CAL | HAR | 180.0° | 180.0° |
| C | NAR | CAL | CAX | 90.8° | 180.0° |
| NAR | C | CA | HA | 17.2° | 40.3° |
| C | NAR | CAL | HAL1 | 29.2° | 60.0° |
| C | NAR | CAL | HAL2 | 149.1° | 60.0° |
| NAR | CAL | CAX | HAL1 | 120.1° | 120.0° |
| NAR | CAL | CAX | HAL2 | 120.1° | 120.0° |
| NAR | CAL | CAX | CAF | 12.7° | 90.0° |
| NAR | CAL | CAX | CAE | 168.2° | 89.8° |
| NAR | CAL | HAL1 | HAL2 | 119.8° | 120.0° |
| CAL | CAX | CAF | CAE | 179.1° | 179.8° |
| CAL | CAX | CAF | CAH | 178.9° | 180.0° |
| CAL | CAX | CAE | CAG | 178.4° | 180.0° |
| CAX | CAL | NAR | HAR | 89.2° | 0.0° |
| CAX | CAL | HAL1 | HAL2 | 119.8° | 120.0° |
| CAL | CAX | CAF | HAF | 1.1° | 0.0° |
| CAL | CAX | CAE | HAE | 1.6° | 0.0° |
| CAX | CAF | CAH | HAF | 180.0° | 180.0° |
| CAX | CAF | CAH | CAY | 0.5° | 0.1° |
| CAF | CAX | CAE | CAG | 0.8° | 0.3° |
| CAF | CAX | CAL | HAL1 | 132.8° | 30.0° |
| CAF | CAX | CAL | HAL2 | 107.4° | 150.0° |
| CAF | CAX | CAE | HAE | 179.2° | 179.7° |
| CAX | CAF | CAH | HAH | 179.6° | 179.9° |
| CAE | CAX | CAF | CAH | 0.2° | 0.2° |
| CAX | CAE | CAG | HAE | 180.0° | 180.0° |
| CAX | CAE | CAG | CAY | 0.6° | 0.0° |
| CAE | CAX | CAL | HAL1 | 48.1° | 150.2° |
| CAE | CAX | CAL | HAL2 | 71.8° | 30.2° |
| CAE | CAX | CAF | HAF | 179.8° | 179.8° |
| CAX | CAE | CAG | HAG | 179.4° | 180.0° |
| CAF | CAH | CAY | HAH | 180.0° | 180.0° |
| CAF | CAH | CAY | CAG | 0.6° | 0.3° |
| CAF | CAH | CAY | CBA | 178.9° | 180.0° |
| CAH | CAY | CAG | CAE | 0.0° | 0.3° |
| CAH | CAY | CAG | CBA | 178.2° | 179.7° |
| CAH | CAY | CBA | OAS | 6.7° | 0.3° |
| CAH | CAY | CBA | OAD | 177.7° | 179.7° |
| CAY | CAH | CAF | HAF | 179.6° | 179.9° |
| CAH | CAY | CAG | HAG | 179.9° | 179.7° |
| CAE | CAG | CAY | HAG | 180.0° | 180.0° |
| CAE | CAG | CAY | CBA | 178.3° | 180.0° |
| CAG | CAY | CBA | OAS | 171.6° | 180.0° |
| CAG | CAY | CBA | OAD | 4.0° | 0.0° |
| CAY | CAG | CAE | HAE | 179.4° | 180.0° |
| CAG | CAY | CAH | HAH | 179.4° | 179.7° |
| CAY | CBA | OAS | OAD | 175.5° | 180.0° |
| CAY | CBA | OAS | CAI | 142.9° | 180.0° |
| CBA | CAY | CAH | HAH | 1.2° | 0.0° |
| CBA | CAY | CAG | HAG | 1.7° | 0.0° |
| CBA | OAS | CAI | HAI1 | 180.0° | 60.0° |
| CBA | OAS | CAI | HAI2 | 60.0° | 60.0° |
| CBA | OAS | CAI | HAI3 | 60.0° | 180.0° |
| OAD | CBA | OAS | CAI | 32.6° | 0.0° |
| OAS | CAI | HAI1 | HAI2 | 120.0° | 120.0° |
| OAS | CAI | HAI1 | HAI3 | 120.0° | 120.0° |
| OAS | CAI | HAI2 | HAI3 | 120.0° | 120.0° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.1° |
| HD21 | CD2 | CG | HG | 92.0° | 86.0° |
| HD22 | CD2 | CG | HG | 29.6° | 36.3° |
| HA | CA | CB | HB1C | 27.2° | 21.0° |
| HA | CA | CB | HB2C | 148.7° | 144.2° |
| HG | CG | OD1 | HD1 | 58.5° | 62.4° |
| HG | CG | CB | HB1C | 83.8° | 88.0° |
| HG | CG | CB | HB2C | 37.7° | 35.2° |
| HAR | NAR | CAL | HAL1 | 150.8° | 120.0° |
| HAR | NAR | CAL | HAL2 | 30.9° | 120.0° |
| HAF | CAF | CAH | HAH | 0.4° | 0.1° |
| HAE | CAE | CAG | HAG | 0.6° | 0.0° |
| HAI1 | CAI | HAI2 | HAI3 | 120.0° | 120.0° |
