P34
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | N | sing | 1.47Å | 1.47Å | |
| CAA | HAA1 | sing | 1.09Å | 1.12Å | |
| CAA | HAA2 | sing | 1.09Å | 1.11Å | |
| CAA | HAA3 | sing | 1.09Å | 1.11Å | |
| N | CAB | sing | 1.47Å | 1.47Å | |
| N | CA | sing | 1.47Å | 1.52Å | |
| CAB | HAB1 | sing | 1.09Å | 1.11Å | |
| CAB | HAB2 | sing | 1.09Å | 1.11Å | |
| CAB | HAB3 | sing | 1.09Å | 1.11Å | |
| CA | C | sing | 1.51Å | 1.58Å | |
| CA | HA1 | sing | 1.09Å | 1.11Å | |
| CA | HA2 | sing | 1.09Å | 1.12Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | NAM | sing | 1.35Å | 1.43Å | |
| NAM | CAP | sing | 1.40Å | 1.40Å | |
| NAM | HAM | sing | 0.97Å | 1.02Å | |
| CAP | CAK | sing | 1.38Å | 1.48Å | Aromatic |
| CAP | CAG | doub | 1.39Å | 1.44Å | Aromatic |
| CAK | CAU | doub | 1.39Å | 1.49Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.10Å | |
| CAU | CAT | sing | 1.48Å | 1.49Å | Aromatic |
| CAU | CAR | sing | 1.40Å | 1.44Å | Aromatic |
| CAT | CAI | sing | 1.39Å | 1.45Å | Aromatic |
| CAT | CAS | doub | 1.41Å | 1.48Å | Aromatic |
| CAI | CAF | doub | 1.38Å | 1.46Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.10Å | |
| CAF | CAE | sing | 1.39Å | 1.41Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.10Å | |
| CAE | CAH | doub | 1.38Å | 1.43Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.10Å | |
| CAH | CAS | sing | 1.39Å | 1.46Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.10Å | |
| CAS | CAQ | sing | 1.47Å | 1.42Å | Aromatic |
| CAQ | OAD | doub | 1.22Å | 1.24Å | |
| CAQ | NAN | sing | 1.35Å | 1.45Å | Aromatic |
| NAN | CAR | sing | 1.39Å | 1.43Å | Aromatic |
| NAN | HAN | sing | 0.97Å | 1.02Å | |
| CAR | CAJ | doub | 1.39Å | 1.46Å | Aromatic |
| CAJ | CAG | sing | 1.38Å | 1.46Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.10Å | |
| CAG | HAG | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CAA | HAA1 | 110.9° | 109.4° |
| N | CAA | HAA2 | 111.7° | 109.5° |
| N | CAA | HAA3 | 111.7° | 109.5° |
| CAA | N | CAB | 110.9° | 106.7° |
| CAA | N | CA | 111.0° | 106.7° |
| HAA1 | CAA | HAA2 | 111.6° | 109.5° |
| HAA1 | CAA | HAA3 | 111.6° | 109.5° |
| HAA2 | CAA | HAA3 | 98.7° | 109.5° |
| CAB | N | CA | 110.6° | 106.7° |
| N | CAB | HAB1 | 110.9° | 109.4° |
| N | CAB | HAB2 | 111.7° | 109.5° |
| N | CAB | HAB3 | 111.6° | 109.5° |
| N | CA | C | 119.3° | 109.5° |
| N | CA | HA1 | 108.7° | 109.4° |
| N | CA | HA2 | 108.7° | 109.5° |
| HAB1 | CAB | HAB2 | 111.7° | 109.5° |
| HAB1 | CAB | HAB3 | 111.7° | 109.5° |
| HAB2 | CAB | HAB3 | 98.7° | 109.5° |
| C | CA | HA1 | 108.6° | 109.5° |
| C | CA | HA2 | 108.6° | 109.5° |
| CA | C | O | 116.8° | 120.0° |
| CA | C | NAM | 126.8° | 120.0° |
| HA1 | CA | HA2 | 101.4° | 109.5° |
| O | C | NAM | 116.4° | 120.0° |
| C | NAM | CAP | 143.1° | 120.0° |
| C | NAM | HAM | 110.3° | 120.0° |
| CAP | NAM | HAM | 106.7° | 120.0° |
| NAM | CAP | CAK | 112.3° | 120.0° |
| NAM | CAP | CAG | 130.3° | 120.0° |
| CAK | CAP | CAG | 117.3° | 120.0° |
| CAP | CAK | CAU | 123.3° | 119.8° |
| CAP | CAK | HAK | 118.4° | 120.1° |
| CAP | CAG | CAJ | 121.1° | 120.5° |
| CAP | CAG | HAG | 118.7° | 119.8° |
| CAU | CAK | HAK | 118.4° | 120.1° |
| CAK | CAU | CAT | 125.3° | 120.7° |
| CAK | CAU | CAR | 116.0° | 120.1° |
| CAT | CAU | CAR | 118.7° | 119.2° |
| CAU | CAT | CAI | 123.1° | 121.7° |
| CAU | CAT | CAS | 120.1° | 118.4° |
| CAU | CAR | NAN | 119.3° | 120.8° |
| CAU | CAR | CAJ | 122.3° | 119.3° |
| CAI | CAT | CAS | 116.7° | 119.8° |
| CAT | CAI | CAF | 121.7° | 119.6° |
| CAT | CAI | HAI | 118.9° | 120.1° |
| CAT | CAS | CAH | 120.2° | 119.6° |
| CAT | CAS | CAQ | 119.2° | 118.9° |
| CAF | CAI | HAI | 119.5° | 120.2° |
| CAI | CAF | CAE | 120.5° | 120.6° |
| CAI | CAF | HAF | 121.6° | 119.7° |
| CAE | CAF | HAF | 117.9° | 119.7° |
| CAF | CAE | CAH | 119.8° | 120.6° |
| CAF | CAE | HAE | 119.5° | 119.7° |
| CAH | CAE | HAE | 120.7° | 119.7° |
| CAE | CAH | CAS | 121.0° | 119.6° |
| CAE | CAH | HAH | 118.3° | 120.2° |
| CAS | CAH | HAH | 120.7° | 120.2° |
| CAH | CAS | CAQ | 120.6° | 121.5° |
| CAS | CAQ | OAD | 123.1° | 119.8° |
| CAS | CAQ | NAN | 119.7° | 120.4° |
| OAD | CAQ | NAN | 117.1° | 119.8° |
| CAQ | NAN | CAR | 122.9° | 122.3° |
| CAQ | NAN | HAN | 119.2° | 118.9° |
| CAR | NAN | HAN | 118.0° | 118.9° |
| NAN | CAR | CAJ | 118.4° | 119.8° |
| CAR | CAJ | CAG | 120.1° | 120.2° |
| CAR | CAJ | HAJ | 120.0° | 119.9° |
| CAG | CAJ | HAJ | 119.9° | 119.9° |
| CAJ | CAG | HAG | 120.3° | 119.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CAA | HAA1 | HAA2 | 125.3° | 120.0° |
| N | CAA | HAA1 | HAA3 | 125.3° | 120.0° |
| N | CAA | HAA2 | HAA3 | 117.6° | 120.0° |
| CAA | N | CAB | CA | 123.6° | 113.7° |
| CAA | N | CAB | HAB1 | 180.0° | 180.0° |
| CAA | N | CAB | HAB2 | 54.7° | 60.0° |
| CAA | N | CAB | HAB3 | 54.7° | 60.0° |
| CAA | N | CA | C | 41.3° | 170.0° |
| CAA | N | CA | HA1 | 166.5° | 70.0° |
| CAA | N | CA | HA2 | 84.0° | 50.0° |
| HAA1 | CAA | HAA2 | HAA3 | 117.5° | 120.0° |
| HAA1 | CAA | N | CAB | 180.0° | 66.3° |
| HAA1 | CAA | N | CA | 56.6° | 180.0° |
| HAA2 | CAA | N | CAB | 54.8° | 173.8° |
| HAA2 | CAA | N | CA | 178.1° | 60.0° |
| HAA3 | CAA | N | CAB | 54.7° | 53.8° |
| HAA3 | CAA | N | CA | 68.6° | 60.0° |
| N | CAB | HAB1 | HAB2 | 125.3° | 120.0° |
| N | CAB | HAB1 | HAB3 | 125.2° | 120.0° |
| N | CAB | HAB2 | HAB3 | 117.5° | 120.0° |
| CAB | N | CA | C | 82.3° | 76.2° |
| CAB | N | CA | HA1 | 42.9° | 43.8° |
| CAB | N | CA | HA2 | 152.4° | 163.8° |
| CA | N | CAB | HAB1 | 56.4° | 66.3° |
| CA | N | CAB | HAB2 | 68.9° | 173.8° |
| CA | N | CAB | HAB3 | 178.3° | 53.8° |
| N | CA | C | HA1 | 125.3° | 120.0° |
| N | CA | C | HA2 | 125.2° | 120.0° |
| N | CA | HA1 | HA2 | 114.4° | 120.0° |
| N | CA | C | O | 179.6° | 0.0° |
| N | CA | C | NAM | 0.7° | 180.0° |
| HAB1 | CAB | HAB2 | HAB3 | 117.6° | 120.0° |
| C | CA | HA1 | HA2 | 114.3° | 120.0° |
| CA | C | O | NAM | 179.0° | 180.0° |
| CA | C | NAM | CAP | 47.1° | 174.5° |
| CA | C | NAM | HAM | 132.9° | 5.5° |
| HA1 | CA | C | O | 55.1° | 120.0° |
| HA1 | CA | C | NAM | 126.0° | 60.0° |
| HA2 | CA | C | O | 54.3° | 120.0° |
| HA2 | CA | C | NAM | 124.6° | 60.0° |
| O | C | NAM | CAP | 134.0° | 5.5° |
| O | C | NAM | HAM | 46.0° | 174.5° |
| C | NAM | CAP | HAM | 180.0° | 180.0° |
| C | NAM | CAP | CAK | 166.0° | 33.6° |
| C | NAM | CAP | CAG | 12.9° | 146.7° |
| NAM | CAP | CAK | CAG | 179.0° | 179.7° |
| NAM | CAP | CAK | CAU | 179.6° | 179.7° |
| NAM | CAP | CAK | HAK | 0.4° | 0.1° |
| NAM | CAP | CAG | CAJ | 179.7° | 180.0° |
| NAM | CAP | CAG | HAG | 0.3° | 0.1° |
| HAM | NAM | CAP | CAK | 14.1° | 146.4° |
| HAM | NAM | CAP | CAG | 167.1° | 33.3° |
| CAP | CAK | CAU | HAK | 180.0° | 179.7° |
| CAP | CAK | CAU | CAT | 179.0° | 179.7° |
| CAP | CAK | CAU | CAR | 0.0° | 0.6° |
| CAK | CAP | CAG | CAJ | 0.9° | 0.3° |
| CAK | CAP | CAG | HAG | 179.1° | 179.8° |
| CAG | CAP | CAK | CAU | 0.6° | 0.6° |
| CAG | CAP | CAK | HAK | 179.4° | 179.7° |
| CAP | CAG | CAJ | CAR | 0.6° | 0.0° |
| CAP | CAG | CAJ | HAG | 180.0° | 179.9° |
| CAP | CAG | CAJ | HAJ | 179.4° | 179.9° |
| CAK | CAU | CAT | CAR | 179.0° | 179.7° |
| CAK | CAU | CAT | CAI | 1.9° | 0.3° |
| CAK | CAU | CAT | CAS | 179.0° | 179.7° |
| CAK | CAU | CAR | NAN | 179.9° | 179.7° |
| CAK | CAU | CAR | CAJ | 0.3° | 0.3° |
| HAK | CAK | CAU | CAT | 1.0° | 0.0° |
| HAK | CAK | CAU | CAR | 180.0° | 179.8° |
| CAU | CAT | CAI | CAS | 177.2° | 180.0° |
| CAU | CAT | CAI | CAF | 179.5° | 180.0° |
| CAU | CAT | CAI | HAI | 0.5° | 0.0° |
| CAU | CAT | CAS | CAH | 180.0° | 180.0° |
| CAU | CAT | CAS | CAQ | 2.7° | 0.1° |
| CAT | CAU | CAR | NAN | 1.0° | 0.0° |
| CAT | CAU | CAR | CAJ | 179.4° | 180.0° |
| CAR | CAU | CAT | CAI | 179.1° | 179.9° |
| CAR | CAU | CAT | CAS | 2.0° | 0.0° |
| CAU | CAR | NAN | CAQ | 0.8° | 0.1° |
| CAU | CAR | NAN | CAJ | 179.6° | 180.0° |
| CAU | CAR | NAN | HAN | 179.2° | 180.0° |
| CAU | CAR | CAJ | CAG | 0.0° | 0.0° |
| CAU | CAR | CAJ | HAJ | 180.0° | 179.9° |
| CAT | CAI | CAF | HAI | 180.0° | 180.0° |
| CAT | CAI | CAF | CAE | 1.5° | 0.0° |
| CAT | CAI | CAF | HAF | 178.5° | 180.0° |
| CAI | CAT | CAS | CAH | 2.7° | 0.0° |
| CAI | CAT | CAS | CAQ | 179.9° | 179.9° |
| CAS | CAT | CAI | CAF | 2.2° | 0.0° |
| CAS | CAT | CAI | HAI | 177.8° | 180.0° |
| CAT | CAS | CAH | CAE | 2.4° | 0.0° |
| CAT | CAS | CAH | CAQ | 177.2° | 179.9° |
| CAT | CAS | CAH | HAH | 177.6° | 179.9° |
| CAT | CAS | CAQ | OAD | 179.5° | 180.0° |
| CAT | CAS | CAQ | NAN | 2.5° | 0.1° |
| CAI | CAF | CAE | HAF | 180.0° | 180.0° |
| CAI | CAF | CAE | CAH | 1.1° | 0.0° |
| CAI | CAF | CAE | HAE | 178.9° | 180.0° |
| HAI | CAI | CAF | CAE | 178.5° | 180.0° |
| HAI | CAI | CAF | HAF | 1.5° | 0.0° |
| CAF | CAE | CAH | HAE | 180.0° | 180.0° |
| CAF | CAE | CAH | CAS | 1.6° | 0.0° |
| CAF | CAE | CAH | HAH | 178.4° | 179.9° |
| HAF | CAF | CAE | CAH | 178.9° | 180.0° |
| HAF | CAF | CAE | HAE | 1.1° | 0.0° |
| CAE | CAH | CAS | HAH | 180.0° | 180.0° |
| CAE | CAH | CAS | CAQ | 179.6° | 179.9° |
| HAE | CAE | CAH | CAS | 178.4° | 180.0° |
| HAE | CAE | CAH | HAH | 1.6° | 0.0° |
| CAH | CAS | CAQ | OAD | 2.2° | 0.1° |
| CAH | CAS | CAQ | NAN | 179.7° | 180.0° |
| HAH | CAH | CAS | CAQ | 0.4° | 0.0° |
| CAS | CAQ | OAD | NAN | 178.1° | 179.9° |
| CAS | CAQ | NAN | CAR | 1.6° | 0.1° |
| CAS | CAQ | NAN | HAN | 178.4° | 180.0° |
| OAD | CAQ | NAN | CAR | 179.7° | 180.0° |
| OAD | CAQ | NAN | HAN | 0.3° | 0.1° |
| CAQ | NAN | CAR | HAN | 180.0° | 179.9° |
| CAQ | NAN | CAR | CAJ | 179.6° | 179.9° |
| NAN | CAR | CAJ | CAG | 179.6° | 180.0° |
| NAN | CAR | CAJ | HAJ | 0.4° | 0.1° |
| HAN | NAN | CAR | CAJ | 0.4° | 0.0° |
| CAR | CAJ | CAG | HAJ | 180.0° | 180.0° |
| CAR | CAJ | CAG | HAG | 179.3° | 179.9° |
| HAJ | CAJ | CAG | HAG | 0.6° | 0.0° |
