JNW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OE1 | CD | doub | 1.21Å | 1.17Å | |
| NE2 | CD | sing | 1.34Å | 1.39Å | |
| NE2 | C | sing | 1.34Å | 1.45Å | |
| CD | CG | sing | 1.51Å | 1.53Å | |
| O | C | doub | 1.21Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.48Å | |
| CG | CB | sing | 1.53Å | 1.40Å | |
| CA | CB | sing | 1.53Å | 1.49Å | |
| CA | N | sing | 1.47Å | 1.43Å | |
| N | CAJ | sing | 1.35Å | 1.31Å | |
| OAL | CAJ | doub | 1.22Å | 1.22Å | |
| CAJ | CAK | sing | 1.48Å | 1.38Å | |
| CAK | CAM | doub | 1.39Å | 1.40Å | Aromatic |
| CAK | CAQ | sing | 1.41Å | 1.43Å | Aromatic |
| CAM | CAN | sing | 1.38Å | 1.36Å | Aromatic |
| OAS | CAR | doub | 1.21Å | 1.21Å | |
| CAR | CAQ | sing | 1.48Å | 1.46Å | |
| CAR | OAT | sing | 1.35Å | 1.28Å | |
| CAQ | CAP | doub | 1.39Å | 1.38Å | Aromatic |
| CAN | CAO | doub | 1.38Å | 1.31Å | Aromatic |
| CAO | CAP | sing | 1.38Å | 1.35Å | Aromatic |
| OAT | H1 | sing | 0.97Å | 0.95Å | |
| CAP | H2 | sing | 1.08Å | 1.08Å | |
| CAO | H3 | sing | 1.08Å | 1.08Å | |
| CAN | H4 | sing | 1.08Å | 1.08Å | |
| CAM | H5 | sing | 1.08Å | 1.08Å | |
| N | H6 | sing | 0.97Å | 1.00Å | |
| CA | H7 | sing | 1.09Å | 1.10Å | |
| CB | H8 | sing | 1.09Å | 1.10Å | |
| CB | H9 | sing | 1.09Å | 1.10Å | |
| CG | H10 | sing | 1.09Å | 1.10Å | |
| CG | H11 | sing | 1.09Å | 1.10Å | |
| NE2 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OE1 | CD | NE2 | 116.5° | 119.4° |
| OE1 | CD | CG | 127.6° | 119.4° |
| CD | NE2 | C | 125.4° | 122.6° |
| NE2 | CD | CG | 114.6° | 121.3° |
| CD | NE2 | H12 | 117.3° | 118.7° |
| NE2 | C | O | 118.2° | 119.3° |
| NE2 | C | CA | 116.3° | 121.3° |
| C | NE2 | H12 | 117.3° | 118.8° |
| CD | CG | CB | 111.9° | 109.1° |
| CD | CG | H10 | 108.8° | 109.5° |
| CD | CG | H11 | 108.9° | 109.6° |
| O | C | CA | 125.1° | 119.4° |
| C | CA | CB | 108.5° | 109.2° |
| C | CA | N | 111.4° | 109.5° |
| C | CA | H7 | 105.9° | 109.6° |
| CG | CB | CA | 114.3° | 108.6° |
| CG | CB | H8 | 108.3° | 109.6° |
| CG | CB | H9 | 108.3° | 109.8° |
| CB | CG | H10 | 108.8° | 109.6° |
| CB | CG | H11 | 108.8° | 109.5° |
| CB | CA | N | 117.9° | 109.5° |
| CB | CA | H7 | 105.9° | 109.5° |
| CA | CB | H8 | 108.2° | 109.6° |
| CA | CB | H9 | 108.2° | 109.6° |
| CA | N | CAJ | 128.1° | 120.0° |
| CA | N | H6 | 116.0° | 120.0° |
| N | CA | H7 | 106.5° | 109.5° |
| N | CAJ | OAL | 113.1° | 120.0° |
| N | CAJ | CAK | 120.4° | 120.0° |
| CAJ | N | H6 | 116.0° | 120.0° |
| OAL | CAJ | CAK | 126.1° | 120.0° |
| CAJ | CAK | CAM | 124.5° | 120.2° |
| CAJ | CAK | CAQ | 116.2° | 120.2° |
| CAM | CAK | CAQ | 119.2° | 119.6° |
| CAK | CAM | CAN | 121.1° | 120.0° |
| CAK | CAM | H5 | 119.4° | 120.0° |
| CAK | CAQ | CAR | 123.3° | 120.2° |
| CAK | CAQ | CAP | 116.5° | 119.6° |
| CAM | CAN | CAO | 117.0° | 120.4° |
| CAM | CAN | H4 | 121.5° | 119.8° |
| CAN | CAM | H5 | 119.4° | 120.0° |
| OAS | CAR | CAQ | 123.4° | 120.0° |
| OAS | CAR | OAT | 122.0° | 120.0° |
| CAQ | CAR | OAT | 114.4° | 120.0° |
| CAR | CAQ | CAP | 120.0° | 120.2° |
| CAR | OAT | H1 | 109.5° | 117.0° |
| CAQ | CAP | CAO | 119.7° | 120.0° |
| CAQ | CAP | H2 | 120.1° | 120.0° |
| CAN | CAO | CAP | 125.8° | 120.4° |
| CAN | CAO | H3 | 117.1° | 119.8° |
| CAO | CAN | H4 | 121.5° | 119.8° |
| CAO | CAP | H2 | 120.1° | 120.0° |
| CAP | CAO | H3 | 117.1° | 119.8° |
| H8 | CB | H9 | 109.5° | 109.6° |
| H10 | CG | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OE1 | CD | NE2 | CG | 168.2° | 179.9° |
| OE1 | CD | NE2 | C | 169.8° | 179.5° |
| OE1 | CD | CG | CB | 166.7° | 151.0° |
| OE1 | CD | CG | H10 | 46.4° | 31.0° |
| OE1 | CD | CG | H11 | 72.9° | 89.1° |
| OE1 | CD | NE2 | H12 | 10.2° | 0.4° |
| CD | NE2 | C | H12 | 180.0° | 179.9° |
| CD | NE2 | C | O | 179.2° | 179.4° |
| CD | NE2 | C | CA | 6.0° | 0.6° |
| NE2 | CD | CG | CB | 26.7° | 29.1° |
| NE2 | CD | CG | H10 | 147.0° | 149.0° |
| NE2 | CD | CG | H11 | 93.7° | 90.8° |
| C | NE2 | CD | CG | 1.7° | 0.6° |
| NE2 | C | O | CA | 172.6° | 180.0° |
| NE2 | C | CA | CB | 32.4° | 29.1° |
| NE2 | C | CA | N | 163.8° | 90.8° |
| NE2 | C | CA | H7 | 80.8° | 149.1° |
| CD | CG | CB | H10 | 120.4° | 119.9° |
| CD | CG | CB | H11 | 120.4° | 119.9° |
| CD | CG | CB | CA | 57.9° | 55.6° |
| CD | CG | CB | H8 | 62.8° | 64.1° |
| CD | CG | CB | H9 | 178.6° | 175.5° |
| CD | CG | H10 | H11 | 118.9° | 120.2° |
| CG | CD | NE2 | H12 | 178.3° | 179.5° |
| O | C | CA | CB | 154.9° | 150.9° |
| O | C | CA | N | 23.5° | 89.2° |
| O | C | CA | H7 | 91.9° | 30.9° |
| O | C | NE2 | H12 | 0.8° | 0.5° |
| C | CA | CB | CG | 60.7° | 55.6° |
| C | CA | CB | N | 127.8° | 119.9° |
| C | CA | CB | H7 | 113.3° | 120.0° |
| C | CA | N | H7 | 115.0° | 120.2° |
| C | CA | N | CAJ | 111.2° | 85.3° |
| C | CA | N | H6 | 68.7° | 94.7° |
| C | CA | CB | H8 | 60.0° | 64.1° |
| C | CA | CB | H9 | 178.6° | 175.6° |
| CA | C | NE2 | H12 | 174.0° | 179.5° |
| CG | CB | CA | H8 | 120.7° | 119.7° |
| CG | CB | CA | H9 | 120.7° | 120.0° |
| CG | CB | CA | N | 171.5° | 64.3° |
| CG | CB | CA | H7 | 52.6° | 175.6° |
| CG | CB | H8 | H9 | 117.8° | 120.5° |
| CB | CG | H10 | H11 | 118.9° | 120.1° |
| CB | CA | N | H7 | 118.6° | 120.1° |
| CB | CA | N | CAJ | 122.4° | 155.0° |
| CB | CA | N | H6 | 57.6° | 25.0° |
| CA | CB | H8 | H9 | 117.8° | 120.3° |
| CA | CB | CG | H10 | 178.3° | 175.5° |
| CA | CB | CG | H11 | 62.5° | 64.4° |
| CA | N | CAJ | H6 | 180.0° | 180.0° |
| CA | N | CAJ | OAL | 5.5° | 0.0° |
| CA | N | CAJ | CAK | 178.7° | 180.0° |
| N | CA | CB | H8 | 67.7° | 176.0° |
| N | CA | CB | H9 | 50.8° | 55.7° |
| N | CAJ | OAL | CAK | 172.8° | 180.0° |
| N | CAJ | CAK | CAM | 28.3° | 6.2° |
| N | CAJ | CAK | CAQ | 156.4° | 173.2° |
| CAJ | N | CA | H7 | 3.8° | 34.9° |
| OAL | CAJ | CAK | CAM | 144.0° | 173.8° |
| OAL | CAJ | CAK | CAQ | 31.3° | 6.8° |
| OAL | CAJ | N | H6 | 174.5° | 180.0° |
| CAJ | CAK | CAM | CAQ | 175.1° | 179.4° |
| CAJ | CAK | CAM | CAN | 178.7° | 180.0° |
| CAJ | CAK | CAQ | CAR | 0.4° | 0.3° |
| CAJ | CAK | CAQ | CAP | 173.3° | 179.9° |
| CAJ | CAK | CAM | H5 | 1.3° | 0.3° |
| CAK | CAJ | N | H6 | 1.3° | 0.0° |
| CAK | CAM | CAN | H5 | 180.0° | 179.7° |
| CAM | CAK | CAQ | CAR | 176.0° | 179.7° |
| CAM | CAK | CAQ | CAP | 2.3° | 0.6° |
| CAK | CAM | CAN | CAO | 9.2° | 0.3° |
| CAK | CAM | CAN | H4 | 170.8° | 179.7° |
| CAQ | CAK | CAM | CAN | 3.6° | 0.6° |
| CAK | CAQ | CAR | OAS | 106.9° | 54.8° |
| CAK | CAQ | CAR | CAP | 173.5° | 179.7° |
| CAK | CAQ | CAR | OAT | 77.9° | 124.9° |
| CAK | CAQ | CAP | CAO | 2.4° | 0.4° |
| CAK | CAQ | CAP | H2 | 177.6° | 179.7° |
| CAQ | CAK | CAM | H5 | 176.4° | 179.7° |
| CAM | CAN | CAO | H4 | 180.0° | 180.0° |
| CAM | CAN | CAO | CAP | 9.5° | 0.0° |
| CAM | CAN | CAO | H3 | 170.5° | 180.0° |
| OAS | CAR | CAQ | OAT | 175.2° | 179.7° |
| OAS | CAR | CAQ | CAP | 66.6° | 125.5° |
| OAS | CAR | OAT | H1 | 0.0° | 0.0° |
| CAR | CAQ | CAP | CAO | 176.3° | 180.0° |
| CAQ | CAR | OAT | H1 | 175.3° | 179.8° |
| CAR | CAQ | CAP | H2 | 3.7° | 0.1° |
| OAT | CAR | CAQ | CAP | 108.6° | 54.8° |
| CAQ | CAP | CAO | CAN | 3.7° | 0.1° |
| CAQ | CAP | CAO | H2 | 180.0° | 179.9° |
| CAQ | CAP | CAO | H3 | 176.3° | 179.9° |
| CAN | CAO | CAP | H3 | 180.0° | 180.0° |
| CAN | CAO | CAP | H2 | 176.3° | 180.0° |
| CAO | CAN | CAM | H5 | 170.8° | 180.0° |
| CAP | CAO | CAN | H4 | 170.5° | 180.0° |
| H2 | CAP | CAO | H3 | 3.7° | 0.0° |
| H3 | CAO | CAN | H4 | 9.5° | 0.0° |
| H4 | CAN | CAM | H5 | 9.1° | 0.0° |
| H6 | N | CA | H7 | 176.2° | 145.1° |
| H7 | CA | CB | H8 | 173.3° | 55.9° |
| H7 | CA | CB | H9 | 68.1° | 64.4° |
| H8 | CB | CG | H10 | 57.6° | 55.8° |
| H8 | CB | CG | H11 | 176.8° | 175.9° |
| H9 | CB | CG | H10 | 61.0° | 64.6° |
| H9 | CB | CG | H11 | 58.2° | 55.5° |
