N04
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OE1 | CD | sing | 1.34Å | 1.25Å | |
| CD | OE2 | doub | 1.21Å | 1.25Å | |
| CD | CG | sing | 1.51Å | 1.50Å | |
| CG | CB | sing | 1.53Å | 1.51Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.50Å | |
| N | CAU | sing | 1.35Å | 1.33Å | |
| N | CA | sing | 1.47Å | 1.44Å | |
| CAU | OBC | doub | 1.22Å | 1.23Å | |
| CAU | CAT | sing | 1.48Å | 1.50Å | |
| CAT | CAQ | sing | 1.40Å | 1.39Å | Aromatic |
| CAT | CAS | doub | 1.40Å | 1.39Å | Aromatic |
| CAQ | CAO | doub | 1.38Å | 1.39Å | Aromatic |
| CAS | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAR | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CAP | CAO | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | CAN | sing | 1.51Å | 1.51Å | |
| CAN | OAY | sing | 1.43Å | 1.43Å | |
| CAA | CAC | doub | 1.39Å | 1.39Å | Aromatic |
| CAA | CAB | sing | 1.38Å | 1.38Å | Aromatic |
| CAC | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | OAY | sing | 1.36Å | 1.37Å | |
| CAE | CAF | doub | 1.40Å | 1.39Å | Aromatic |
| CAB | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAF | sing | 1.40Å | 1.39Å | Aromatic |
| CAF | CAH | sing | 1.47Å | 1.51Å | |
| CAH | CAI | doub | 1.36Å | 1.53Å | |
| SBG | CAL | sing | 1.77Å | 1.76Å | |
| SBG | CAI | sing | 1.77Å | 1.77Å | |
| CAL | NAX | sing | 1.34Å | 1.35Å | |
| CAL | OBH | doub | 1.22Å | 1.28Å | |
| NAX | CAK | sing | 1.32Å | 1.34Å | |
| CAK | OBE | doub | 1.22Å | 1.29Å | |
| CAK | CAI | sing | 1.47Å | 1.48Å | |
| OE1 | HE1 | sing | 0.97Å | 0.95Å | |
| CG | HG1C | sing | 1.09Å | 1.10Å | |
| CG | HG2C | sing | 1.09Å | 1.10Å | |
| CB | HB1C | sing | 1.09Å | 1.10Å | |
| CB | HB2C | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAS | HAS | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| NAX | HAX | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OE1 | CD | OE2 | 124.1° | 120.0° |
| OE1 | CD | CG | 114.1° | 120.1° |
| CD | OE1 | HE1 | 109.5° | 117.0° |
| OE2 | CD | CG | 121.8° | 119.9° |
| CD | CG | CB | 113.8° | 109.5° |
| CD | CG | HG1C | 108.1° | 109.4° |
| CD | CG | HG2C | 107.1° | 109.5° |
| CG | CB | CA | 103.6° | 109.5° |
| CB | CG | HG1C | 108.1° | 109.5° |
| CB | CG | HG2C | 107.1° | 109.5° |
| CG | CB | HB1C | 111.5° | 109.4° |
| CG | CB | HB2C | 112.7° | 109.5° |
| CB | CA | C | 109.7° | 109.5° |
| CB | CA | N | 110.6° | 109.5° |
| CA | CB | HB1C | 111.5° | 109.5° |
| CA | CB | HB2C | 112.8° | 109.5° |
| CB | CA | HA | 109.6° | 109.4° |
| OXT | C | O | 124.6° | 120.0° |
| OXT | C | CA | 118.3° | 119.9° |
| C | OXT | HXT | 109.5° | 117.0° |
| O | C | CA | 117.1° | 120.0° |
| C | CA | N | 112.3° | 109.5° |
| C | CA | HA | 107.7° | 109.5° |
| CAU | N | CA | 122.6° | 120.0° |
| N | CAU | OBC | 123.1° | 120.0° |
| N | CAU | CAT | 114.6° | 120.0° |
| CAU | N | H | 118.7° | 120.0° |
| N | CA | HA | 106.8° | 109.4° |
| CA | N | H | 118.7° | 120.0° |
| OBC | CAU | CAT | 122.3° | 120.0° |
| CAU | CAT | CAQ | 118.3° | 120.1° |
| CAU | CAT | CAS | 121.8° | 120.1° |
| CAQ | CAT | CAS | 119.9° | 119.7° |
| CAT | CAQ | CAO | 120.0° | 119.8° |
| CAT | CAQ | HAQ | 120.0° | 120.0° |
| CAT | CAS | CAR | 119.7° | 119.8° |
| CAT | CAS | HAS | 120.1° | 120.1° |
| CAQ | CAO | CAP | 120.4° | 120.2° |
| CAQ | CAO | CAN | 118.9° | 119.9° |
| CAO | CAQ | HAQ | 120.0° | 120.1° |
| CAS | CAR | CAP | 120.6° | 120.1° |
| CAR | CAS | HAS | 120.2° | 120.1° |
| CAS | CAR | HAR | 119.7° | 119.9° |
| CAR | CAP | CAO | 119.4° | 120.3° |
| CAP | CAR | HAR | 119.7° | 119.9° |
| CAR | CAP | HAP | 120.3° | 119.8° |
| CAP | CAO | CAN | 120.6° | 119.9° |
| CAO | CAP | HAP | 120.3° | 119.9° |
| CAO | CAN | OAY | 108.6° | 109.4° |
| CAO | CAN | HAN1 | 109.7° | 109.5° |
| CAO | CAN | HAN2 | 110.0° | 109.4° |
| CAN | OAY | CAC | 119.9° | 117.0° |
| OAY | CAN | HAN1 | 109.8° | 109.5° |
| OAY | CAN | HAN2 | 109.9° | 109.5° |
| CAC | CAA | CAB | 119.9° | 120.3° |
| CAA | CAC | CAE | 120.0° | 120.1° |
| CAA | CAC | OAY | 119.1° | 119.9° |
| CAC | CAA | HAA | 120.1° | 119.8° |
| CAA | CAB | CAG | 120.3° | 120.2° |
| CAB | CAA | HAA | 120.0° | 119.9° |
| CAA | CAB | HAB | 119.9° | 119.9° |
| CAE | CAC | OAY | 120.9° | 120.0° |
| CAC | CAE | CAF | 119.7° | 119.8° |
| CAC | CAE | HAE | 120.2° | 120.1° |
| CAE | CAF | CAG | 120.0° | 119.7° |
| CAE | CAF | CAH | 118.3° | 120.2° |
| CAF | CAE | HAE | 120.2° | 120.1° |
| CAB | CAG | CAF | 120.0° | 119.9° |
| CAG | CAB | HAB | 119.8° | 119.9° |
| CAB | CAG | HAG | 120.0° | 120.0° |
| CAG | CAF | CAH | 121.6° | 120.1° |
| CAF | CAG | HAG | 120.0° | 120.1° |
| CAF | CAH | CAI | 121.0° | 120.1° |
| CAF | CAH | HAH | 119.5° | 120.0° |
| CAH | CAI | SBG | 125.8° | 127.9° |
| CAH | CAI | CAK | 125.8° | 128.0° |
| CAI | CAH | HAH | 119.5° | 120.0° |
| CAL | SBG | CAI | 86.8° | 94.6° |
| SBG | CAL | NAX | 120.2° | 106.9° |
| SBG | CAL | OBH | 122.3° | 126.6° |
| SBG | CAI | CAK | 108.5° | 104.0° |
| NAX | CAL | OBH | 117.5° | 126.5° |
| CAL | NAX | CAK | 107.0° | 119.5° |
| CAL | NAX | HAX | 126.5° | 120.2° |
| NAX | CAK | OBE | 120.7° | 122.6° |
| NAX | CAK | CAI | 117.6° | 114.9° |
| CAK | NAX | HAX | 126.5° | 120.2° |
| OBE | CAK | CAI | 121.8° | 122.5° |
| HG1C | CG | HG2C | 112.9° | 109.5° |
| HB1C | CB | HB2C | 105.0° | 109.5° |
| HAN1 | CAN | HAN2 | 108.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OE1 | CD | OE2 | CG | 177.5° | 179.7° |
| OE1 | CD | CG | CB | 177.3° | 179.8° |
| OE1 | CD | CG | HG1C | 57.3° | 60.3° |
| OE1 | CD | CG | HG2C | 64.5° | 59.7° |
| OE2 | CD | CG | CB | 0.4° | 0.1° |
| OE2 | CD | OE1 | HE1 | 0.0° | 0.1° |
| OE2 | CD | CG | HG1C | 120.4° | 120.0° |
| OE2 | CD | CG | HG2C | 117.7° | 120.0° |
| CD | CG | CB | HG1C | 120.0° | 119.9° |
| CD | CG | CB | HG2C | 118.1° | 120.1° |
| CD | CG | CB | CA | 153.5° | 180.0° |
| CG | CD | OE1 | HE1 | 177.7° | 179.6° |
| CD | CG | HG1C | HG2C | 118.2° | 120.0° |
| CD | CG | CB | HB1C | 33.5° | 60.1° |
| CD | CG | CB | HB2C | 84.3° | 59.9° |
| CG | CB | CA | HB1C | 120.0° | 119.9° |
| CG | CB | CA | HB2C | 122.1° | 120.1° |
| CG | CB | CA | C | 73.0° | 175.1° |
| CG | CB | CA | N | 162.6° | 64.9° |
| CB | CG | HG1C | HG2C | 118.2° | 120.0° |
| CG | CB | HB1C | HB2C | 122.3° | 120.0° |
| CG | CB | CA | HA | 45.1° | 55.0° |
| CB | CA | C | OXT | 73.6° | 60.0° |
| CB | CA | C | O | 106.8° | 120.0° |
| CB | CA | C | N | 123.4° | 120.0° |
| CB | CA | C | HA | 119.2° | 120.0° |
| CB | CA | N | CAU | 167.3° | 155.0° |
| CB | CA | N | HA | 119.2° | 120.0° |
| CA | CB | CG | HG1C | 86.4° | 60.1° |
| CA | CB | CG | HG2C | 35.4° | 60.0° |
| CA | CB | HB1C | HB2C | 122.4° | 120.0° |
| CB | CA | N | H | 12.7° | 25.0° |
| OXT | C | O | CA | 179.6° | 179.9° |
| OXT | C | CA | N | 49.8° | 180.0° |
| OXT | C | CA | HA | 167.1° | 60.0° |
| O | C | CA | N | 129.8° | 0.1° |
| O | C | CA | HA | 12.5° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | N | CAU | 69.7° | 84.9° |
| C | CA | N | HA | 117.9° | 120.0° |
| C | CA | CB | HB1C | 167.0° | 65.0° |
| C | CA | CB | HB2C | 49.2° | 55.0° |
| CA | C | OXT | HXT | 179.6° | 179.9° |
| C | CA | N | H | 110.2° | 95.0° |
| CAU | N | CA | H | 180.0° | 180.0° |
| N | CAU | OBC | CAT | 179.2° | 179.9° |
| N | CAU | CAT | CAQ | 39.5° | 180.0° |
| N | CAU | CAT | CAS | 138.6° | 0.2° |
| CAU | N | CA | HA | 48.1° | 35.1° |
| CA | N | CAU | OBC | 9.5° | 0.0° |
| CA | N | CAU | CAT | 171.3° | 180.0° |
| N | CA | CB | HB1C | 42.6° | 55.0° |
| N | CA | CB | HB2C | 75.3° | 175.0° |
| OBC | CAU | CAT | CAQ | 141.2° | 0.1° |
| OBC | CAU | CAT | CAS | 40.7° | 179.7° |
| OBC | CAU | N | H | 170.5° | 180.0° |
| CAU | CAT | CAQ | CAS | 178.1° | 179.7° |
| CAU | CAT | CAQ | CAO | 178.5° | 180.0° |
| CAU | CAT | CAS | CAR | 178.9° | 180.0° |
| CAT | CAU | N | H | 8.8° | 0.0° |
| CAU | CAT | CAQ | HAQ | 1.5° | 0.0° |
| CAU | CAT | CAS | HAS | 1.1° | 0.0° |
| CAT | CAQ | CAO | HAQ | 180.0° | 180.0° |
| CAQ | CAT | CAS | CAR | 0.9° | 0.3° |
| CAT | CAQ | CAO | CAP | 0.2° | 0.0° |
| CAT | CAQ | CAO | CAN | 179.0° | 180.0° |
| CAQ | CAT | CAS | HAS | 179.1° | 179.8° |
| CAS | CAT | CAQ | CAO | 0.4° | 0.3° |
| CAT | CAS | CAR | HAS | 180.0° | 180.0° |
| CAT | CAS | CAR | CAP | 0.7° | 0.0° |
| CAS | CAT | CAQ | HAQ | 179.6° | 179.8° |
| CAT | CAS | CAR | HAR | 179.3° | 180.0° |
| CAQ | CAO | CAP | CAR | 0.3° | 0.3° |
| CAQ | CAO | CAP | CAN | 178.8° | 180.0° |
| CAQ | CAO | CAN | OAY | 63.6° | 90.0° |
| CAQ | CAO | CAP | HAP | 179.7° | 180.0° |
| CAQ | CAO | CAN | HAN1 | 56.4° | 149.9° |
| CAQ | CAO | CAN | HAN2 | 176.0° | 30.0° |
| CAS | CAR | CAP | HAR | 180.0° | 180.0° |
| CAS | CAR | CAP | CAO | 0.1° | 0.3° |
| CAS | CAR | CAP | HAP | 179.9° | 180.0° |
| CAR | CAP | CAO | HAP | 180.0° | 179.7° |
| CAR | CAP | CAO | CAN | 179.1° | 179.8° |
| CAP | CAR | CAS | HAS | 179.3° | 180.0° |
| CAP | CAO | CAN | OAY | 115.2° | 90.1° |
| CAP | CAO | CAQ | HAQ | 179.8° | 180.0° |
| CAO | CAP | CAR | HAR | 179.9° | 179.8° |
| CAP | CAO | CAN | HAN1 | 124.8° | 30.0° |
| CAP | CAO | CAN | HAN2 | 5.1° | 150.0° |
| CAO | CAN | OAY | HAN1 | 120.0° | 120.1° |
| CAO | CAN | OAY | HAN2 | 120.4° | 119.9° |
| CAO | CAN | OAY | CAC | 98.7° | 180.0° |
| CAN | CAO | CAQ | HAQ | 1.0° | 0.0° |
| CAN | CAO | CAP | HAP | 0.8° | 0.1° |
| CAO | CAN | HAN1 | HAN2 | 120.4° | 120.0° |
| CAN | OAY | CAC | CAA | 51.6° | 0.0° |
| CAN | OAY | CAC | CAE | 128.4° | 180.0° |
| OAY | CAN | HAN1 | HAN2 | 120.3° | 120.0° |
| CAC | CAA | CAB | HAA | 180.0° | 179.7° |
| CAA | CAC | CAE | OAY | 180.0° | 179.9° |
| CAA | CAC | CAE | CAF | 0.3° | 0.1° |
| CAC | CAA | CAB | CAG | 1.1° | 0.0° |
| CAC | CAA | CAB | HAB | 178.9° | 180.0° |
| CAA | CAC | CAE | HAE | 179.7° | 180.0° |
| CAB | CAA | CAC | CAE | 0.7° | 0.1° |
| CAB | CAA | CAC | OAY | 179.2° | 180.0° |
| CAA | CAB | CAG | HAB | 180.0° | 180.0° |
| CAA | CAB | CAG | CAF | 0.5° | 0.0° |
| CAA | CAB | CAG | HAG | 179.5° | 180.0° |
| CAC | CAE | CAF | HAE | 180.0° | 179.9° |
| CAC | CAE | CAF | CAG | 0.9° | 0.0° |
| CAC | CAE | CAF | CAH | 179.7° | 180.0° |
| CAE | CAC | CAA | HAA | 179.3° | 179.7° |
| OAY | CAC | CAE | CAF | 179.7° | 180.0° |
| CAC | OAY | CAN | HAN1 | 141.3° | 60.0° |
| CAC | OAY | CAN | HAN2 | 21.7° | 60.1° |
| OAY | CAC | CAA | HAA | 0.7° | 0.3° |
| OAY | CAC | CAE | HAE | 0.2° | 0.0° |
| CAE | CAF | CAG | CAB | 0.6° | 0.0° |
| CAE | CAF | CAG | CAH | 178.7° | 180.0° |
| CAE | CAF | CAH | CAI | 165.3° | 158.8° |
| CAE | CAF | CAG | HAG | 179.4° | 180.0° |
| CAE | CAF | CAH | HAH | 14.7° | 21.2° |
| CAB | CAG | CAF | HAG | 180.0° | 180.0° |
| CAB | CAG | CAF | CAH | 179.2° | 180.0° |
| CAG | CAB | CAA | HAA | 178.9° | 179.7° |
| CAG | CAF | CAH | CAI | 16.0° | 21.2° |
| CAF | CAG | CAB | HAB | 179.5° | 180.0° |
| CAG | CAF | CAE | HAE | 179.1° | 180.0° |
| CAG | CAF | CAH | HAH | 164.0° | 158.8° |
| CAF | CAH | CAI | HAH | 180.0° | 180.0° |
| CAF | CAH | CAI | SBG | 6.8° | 7.6° |
| CAF | CAH | CAI | CAK | 174.2° | 172.4° |
| CAH | CAF | CAE | HAE | 0.4° | 0.0° |
| CAH | CAF | CAG | HAG | 0.7° | 0.0° |
| CAH | CAI | SBG | CAL | 179.4° | 180.0° |
| CAH | CAI | SBG | CAK | 179.1° | 180.0° |
| CAH | CAI | CAK | NAX | 179.2° | 180.0° |
| CAH | CAI | CAK | OBE | 0.6° | 0.0° |
| SBG | CAL | NAX | OBH | 179.6° | 180.0° |
| SBG | CAL | NAX | CAK | 0.7° | 0.0° |
| CAL | SBG | CAI | CAK | 0.4° | 0.0° |
| SBG | CAL | NAX | HAX | 179.3° | 179.9° |
| CAI | SBG | CAL | NAX | 0.7° | 0.0° |
| CAI | SBG | CAL | OBH | 179.7° | 180.0° |
| SBG | CAI | CAK | NAX | 0.1° | 0.0° |
| SBG | CAI | CAK | OBE | 179.7° | 180.0° |
| SBG | CAI | CAH | HAH | 173.2° | 172.4° |
| CAL | NAX | CAK | HAX | 180.0° | 179.9° |
| CAL | NAX | CAK | OBE | 179.9° | 180.0° |
| CAL | NAX | CAK | CAI | 0.4° | 0.0° |
| OBH | CAL | NAX | CAK | 179.7° | 180.0° |
| OBH | CAL | NAX | HAX | 0.3° | 0.1° |
| NAX | CAK | OBE | CAI | 179.7° | 180.0° |
| OBE | CAK | NAX | HAX | 0.1° | 0.1° |
| CAK | CAI | CAH | HAH | 5.8° | 7.6° |
| CAI | CAK | NAX | HAX | 179.7° | 179.9° |
| HG1C | CG | CB | HB1C | 153.5° | 180.0° |
| HG1C | CG | CB | HB2C | 35.7° | 60.0° |
| HG2C | CG | CB | HB1C | 84.6° | 60.0° |
| HG2C | CG | CB | HB2C | 157.6° | 180.0° |
| HB1C | CB | CA | HA | 74.9° | 175.0° |
| HB2C | CB | CA | HA | 167.2° | 65.0° |
| HA | CA | N | H | 131.9° | 145.0° |
| HAS | CAS | CAR | HAR | 0.7° | 0.0° |
| HAR | CAR | CAP | HAP | 0.1° | 0.1° |
| HAA | CAA | CAB | HAB | 1.1° | 0.3° |
| HAB | CAB | CAG | HAG | 0.4° | 0.0° |
