AMJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| C | NAL | sing | 1.35Å | 1.33Å | |
| N | CA | sing | 1.46Å | 1.47Å | |
| N | CAO | sing | 1.35Å | 1.33Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CB | OAN | sing | 1.43Å | 1.44Å | |
| CAA | OAN | sing | 1.43Å | 1.43Å | |
| CAB | CAO | sing | 1.51Å | 1.53Å | |
| OAC | CAO | doub | 1.21Å | 1.23Å | |
| CAE | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | NAL | sing | 1.46Å | 1.47Å | |
| CAJ | CAQ | sing | 1.51Å | 1.53Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| 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 | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| NAL | HNAL | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 121.0° | 120.0° |
| O | C | NAL | 124.1° | 120.0° |
| CA | C | NAL | 115.0° | 120.0° |
| C | CA | N | 109.5° | 109.5° |
| C | CA | CB | 109.5° | 109.4° |
| C | CA | HA | 109.5° | 109.5° |
| C | NAL | CAJ | 122.0° | 120.0° |
| C | NAL | HNAL | 119.0° | 120.0° |
| CA | N | CAO | 122.0° | 120.0° |
| N | CA | CB | 109.5° | 109.4° |
| CA | N | HN | 119.0° | 120.0° |
| N | CA | HA | 109.4° | 109.5° |
| N | CAO | CAB | 115.0° | 120.0° |
| N | CAO | OAC | 124.0° | 120.0° |
| CAO | N | HN | 119.0° | 120.0° |
| CA | CB | OAN | 109.5° | 109.5° |
| CB | CA | HA | 109.4° | 109.5° |
| CA | CB | HB | 109.5° | 109.5° |
| CA | CB | HBA | 109.5° | 109.4° |
| CB | OAN | CAA | 109.5° | 114.0° |
| OAN | CB | HB | 109.5° | 109.5° |
| OAN | CB | HBA | 109.5° | 109.5° |
| OAN | CAA | HAA | 109.5° | 109.5° |
| OAN | CAA | HAAA | 109.5° | 109.5° |
| OAN | CAA | HAAB | 109.5° | 109.5° |
| CAB | CAO | OAC | 121.0° | 120.0° |
| CAO | CAB | HAB | 109.5° | 109.5° |
| CAO | CAB | HABA | 109.4° | 109.5° |
| CAO | CAB | HABB | 109.5° | 109.5° |
| CAF | CAE | CAG | 120.0° | 120.0° |
| CAE | CAF | CAH | 120.0° | 120.1° |
| CAF | CAE | HAE | 120.0° | 120.1° |
| CAE | CAF | HAF | 120.0° | 120.0° |
| CAE | CAG | CAI | 120.0° | 120.0° |
| CAG | CAE | HAE | 120.0° | 120.0° |
| CAE | CAG | HAG | 120.0° | 120.0° |
| CAF | CAH | CAQ | 120.0° | 120.0° |
| CAH | CAF | HAF | 120.0° | 120.0° |
| CAF | CAH | HAH | 120.0° | 120.0° |
| CAG | CAI | CAQ | 120.0° | 120.0° |
| CAI | CAG | HAG | 120.0° | 120.0° |
| CAG | CAI | HAI | 120.0° | 120.0° |
| CAH | CAQ | CAI | 120.0° | 120.0° |
| CAH | CAQ | CAJ | 120.0° | 120.0° |
| CAQ | CAH | HAH | 120.0° | 120.0° |
| CAI | CAQ | CAJ | 120.0° | 120.0° |
| CAQ | CAI | HAI | 120.0° | 120.0° |
| NAL | CAJ | CAQ | 109.5° | 109.5° |
| NAL | CAJ | HAJ | 109.5° | 109.5° |
| NAL | CAJ | HAJA | 109.5° | 109.5° |
| CAJ | NAL | HNAL | 119.0° | 120.0° |
| CAQ | CAJ | HAJ | 109.5° | 109.5° |
| CAQ | CAJ | HAJA | 109.4° | 109.4° |
| HB | CB | HBA | 109.5° | 109.5° |
| HAA | CAA | HAAA | 109.5° | 109.4° |
| HAA | CAA | HAAB | 109.5° | 109.4° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| HAB | CAB | HABA | 109.5° | 109.5° |
| HAB | CAB | HABB | 109.5° | 109.5° |
| HABA | CAB | HABB | 109.5° | 109.4° |
| HAJ | CAJ | HAJA | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | NAL | 180.0° | 179.8° |
| O | C | CA | N | 104.5° | 0.1° |
| O | C | CA | CB | 135.3° | 120.0° |
| O | C | NAL | CAJ | 0.0° | 0.0° |
| O | C | CA | HA | 15.4° | 120.0° |
| O | C | NAL | HNAL | 179.9° | 180.0° |
| C | CA | N | CB | 120.1° | 119.9° |
| C | CA | N | HA | 120.0° | 120.1° |
| C | CA | N | CAO | 47.7° | 155.0° |
| C | CA | CB | HA | 120.0° | 120.0° |
| C | CA | CB | OAN | 145.6° | 55.0° |
| CA | C | NAL | CAJ | 180.0° | 179.8° |
| C | CA | N | HN | 132.3° | 24.9° |
| C | CA | CB | HB | 25.6° | 65.0° |
| C | CA | CB | HBA | 94.4° | 175.0° |
| CA | C | NAL | HNAL | 0.0° | 0.3° |
| NAL | C | CA | N | 75.5° | 179.7° |
| NAL | C | CA | CB | 44.6° | 59.7° |
| C | NAL | CAJ | HNAL | 180.0° | 180.0° |
| C | NAL | CAJ | CAQ | 106.4° | 180.0° |
| NAL | C | CA | HA | 164.6° | 60.2° |
| C | NAL | CAJ | HAJ | 133.6° | 60.0° |
| C | NAL | CAJ | HAJA | 13.6° | 60.0° |
| CA | N | CAO | HN | 180.0° | 179.9° |
| N | CA | CB | HA | 120.0° | 120.0° |
| N | CA | CB | OAN | 25.5° | 65.0° |
| CA | N | CAO | CAB | 0.0° | 180.0° |
| CA | N | CAO | OAC | 180.0° | 0.0° |
| N | CA | CB | HB | 94.5° | 175.0° |
| N | CA | CB | HBA | 145.5° | 55.0° |
| CAO | N | CA | CB | 167.8° | 85.1° |
| N | CAO | CAB | OAC | 179.9° | 180.0° |
| CAO | N | CA | HA | 72.3° | 34.9° |
| N | CAO | CAB | HAB | 179.9° | 90.0° |
| N | CAO | CAB | HABA | 60.1° | 150.0° |
| N | CAO | CAB | HABB | 59.9° | 30.0° |
| CA | CB | OAN | HB | 120.0° | 120.0° |
| CA | CB | OAN | HBA | 120.0° | 119.9° |
| CA | CB | OAN | CAA | 75.3° | 180.0° |
| CB | CA | N | HN | 12.3° | 95.0° |
| CA | CB | HB | HBA | 120.0° | 119.9° |
| OAN | CB | CA | HA | 94.4° | 175.0° |
| OAN | CB | HB | HBA | 120.0° | 120.0° |
| CB | OAN | CAA | HAA | 180.0° | 60.0° |
| CB | OAN | CAA | HAAA | 60.0° | 60.0° |
| CB | OAN | CAA | HAAB | 60.0° | 180.0° |
| CAA | OAN | CB | HB | 44.7° | 60.0° |
| CAA | OAN | CB | HBA | 164.7° | 60.1° |
| OAN | CAA | HAA | HAAA | 120.0° | 120.0° |
| OAN | CAA | HAA | HAAB | 120.0° | 120.0° |
| OAN | CAA | HAAA | HAAB | 120.0° | 120.1° |
| CAB | CAO | N | HN | 180.0° | 0.1° |
| CAO | CAB | HAB | HABA | 120.0° | 120.0° |
| CAO | CAB | HAB | HABB | 120.0° | 120.1° |
| CAO | CAB | HABA | HABB | 120.0° | 120.0° |
| OAC | CAO | N | HN | 0.1° | 179.9° |
| OAC | CAO | CAB | HAB | 0.0° | 90.0° |
| OAC | CAO | CAB | HABA | 120.0° | 30.0° |
| OAC | CAO | CAB | HABB | 120.0° | 149.9° |
| CAF | CAE | CAG | HAE | 180.0° | 179.6° |
| CAE | CAF | CAH | HAF | 180.0° | 179.8° |
| CAF | CAE | CAG | CAI | 0.0° | 0.2° |
| CAE | CAF | CAH | CAQ | 0.0° | 0.0° |
| CAF | CAE | CAG | HAG | 180.0° | 180.0° |
| CAE | CAF | CAH | HAH | 179.9° | 179.9° |
| CAG | CAE | CAF | CAH | 0.0° | 0.1° |
| CAE | CAG | CAI | HAG | 180.0° | 179.9° |
| CAE | CAG | CAI | CAQ | 0.0° | 0.1° |
| CAG | CAE | CAF | HAF | 180.0° | 179.9° |
| CAE | CAG | CAI | HAI | 180.0° | 179.9° |
| CAF | CAH | CAQ | HAH | 180.0° | 179.9° |
| CAF | CAH | CAQ | CAI | 0.0° | 0.1° |
| CAF | CAH | CAQ | CAJ | 180.0° | 180.0° |
| CAH | CAF | CAE | HAE | 180.0° | 179.7° |
| CAG | CAI | CAQ | CAH | 0.0° | 0.0° |
| CAG | CAI | CAQ | HAI | 180.0° | 180.0° |
| CAG | CAI | CAQ | CAJ | 180.0° | 180.0° |
| CAI | CAG | CAE | HAE | 180.0° | 179.7° |
| CAH | CAQ | CAI | CAJ | 180.0° | 180.0° |
| CAH | CAQ | CAJ | NAL | 125.4° | 90.0° |
| CAQ | CAH | CAF | HAF | 180.0° | 179.8° |
| CAH | CAQ | CAI | HAI | 179.9° | 180.0° |
| CAH | CAQ | CAJ | HAJ | 114.6° | 30.0° |
| CAH | CAQ | CAJ | HAJA | 5.4° | 150.0° |
| CAI | CAQ | CAJ | NAL | 54.5° | 90.0° |
| CAQ | CAI | CAG | HAG | 180.0° | 180.0° |
| CAI | CAQ | CAH | HAH | 179.9° | 180.0° |
| CAI | CAQ | CAJ | HAJ | 65.5° | 150.0° |
| CAI | CAQ | CAJ | HAJA | 174.6° | 30.0° |
| NAL | CAJ | CAQ | HAJ | 120.0° | 120.0° |
| NAL | CAJ | CAQ | HAJA | 120.0° | 120.0° |
| NAL | CAJ | HAJ | HAJA | 120.0° | 120.1° |
| CAJ | CAQ | CAH | HAH | 0.0° | 0.0° |
| CAJ | CAQ | CAI | HAI | 0.0° | 0.0° |
| CAQ | CAJ | HAJ | HAJA | 120.0° | 119.9° |
| CAQ | CAJ | NAL | HNAL | 73.6° | 0.0° |
| HN | N | CA | HA | 107.7° | 145.0° |
| HA | CA | CB | HB | 145.6° | 55.0° |
| HA | CA | CB | HBA | 25.6° | 65.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 119.9° |
| HAB | CAB | HABA | HABB | 120.0° | 120.0° |
| HAE | CAE | CAF | HAF | 0.0° | 0.5° |
| HAE | CAE | CAG | HAG | 0.0° | 0.4° |
| HAF | CAF | CAH | HAH | 0.0° | 0.1° |
| HAG | CAG | CAI | HAI | 0.0° | 0.0° |
| HAJ | CAJ | NAL | HNAL | 46.4° | 120.0° |
| HAJA | CAJ | NAL | HNAL | 166.4° | 120.0° |
