P0A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CAG | sing | 1.53Å | 1.54Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| OAB | CAJ | doub | 1.21Å | 1.24Å | |
| CAJ | OAD | sing | 1.34Å | 1.25Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| CAG | CAF | sing | 1.53Å | 1.54Å | |
| CAF | CAH | sing | 1.53Å | 1.53Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAF | HAFA | sing | 1.09Å | 1.10Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAGA | sing | 1.09Å | 1.10Å | |
| CAH | CAJ | sing | 1.51Å | 1.53Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAHA | sing | 1.09Å | 1.10Å | |
| OXT | HOXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 117.2° | 120.0° |
| O | C | OXT | 125.6° | 120.0° |
| CA | C | OXT | 117.2° | 120.0° |
| C | CA | N | 109.1° | 109.5° |
| C | CA | CB | 110.6° | 109.4° |
| C | CA | HA | 108.6° | 109.5° |
| C | OXT | HOXT | 109.5° | 117.0° |
| CA | N | HN | 109.5° | 111.0° |
| CA | N | HNA | 109.5° | 111.0° |
| N | CA | CB | 108.3° | 109.5° |
| N | CA | HA | 110.9° | 109.5° |
| HN | N | HNA | 109.4° | 111.1° |
| CB | CA | HA | 109.4° | 109.5° |
| CA | CB | CAG | 112.7° | 109.4° |
| CA | CB | HB | 108.4° | 109.5° |
| CA | CB | HBA | 108.4° | 109.5° |
| CAG | CB | HB | 108.4° | 109.5° |
| CAG | CB | HBA | 108.4° | 109.4° |
| CB | CAG | CAF | 112.1° | 109.4° |
| CB | CAG | HAG | 108.6° | 109.5° |
| CB | CAG | HAGA | 108.6° | 109.5° |
| HB | CB | HBA | 110.5° | 109.5° |
| OAB | CAJ | OAD | 125.4° | 120.1° |
| OAB | CAJ | CAH | 117.4° | 120.0° |
| CAJ | OAD | HOAD | 109.5° | 116.9° |
| OAD | CAJ | CAH | 117.2° | 120.0° |
| CAG | CAF | CAH | 111.3° | 109.4° |
| CAG | CAF | HAF | 108.8° | 109.5° |
| CAG | CAF | HAFA | 108.8° | 109.5° |
| CAF | CAG | HAG | 108.6° | 109.5° |
| CAF | CAG | HAGA | 108.6° | 109.5° |
| CAH | CAF | HAF | 108.9° | 109.5° |
| CAH | CAF | HAFA | 108.9° | 109.4° |
| CAF | CAH | CAJ | 110.8° | 109.5° |
| CAF | CAH | HAH | 109.0° | 109.5° |
| CAF | CAH | HAHA | 109.0° | 109.5° |
| HAF | CAF | HAFA | 110.1° | 109.5° |
| HAG | CAG | HAGA | 110.3° | 109.5° |
| CAJ | CAH | HAH | 109.0° | 109.5° |
| CAJ | CAH | HAHA | 109.0° | 109.4° |
| HAH | CAH | HAHA | 109.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 179.7° | 179.7° |
| O | C | CA | N | 27.2° | 19.7° |
| O | C | CA | CB | 91.8° | 100.3° |
| O | C | CA | HA | 148.2° | 139.7° |
| O | C | OXT | HOXT | 0.0° | 0.3° |
| C | CA | N | CB | 120.5° | 119.9° |
| C | CA | N | HA | 119.5° | 120.0° |
| C | CA | N | HN | 180.0° | 60.0° |
| C | CA | N | HNA | 60.0° | 64.0° |
| C | CA | CB | HA | 119.5° | 120.0° |
| C | CA | CB | CAG | 74.0° | 175.0° |
| C | CA | CB | HB | 46.0° | 55.0° |
| C | CA | CB | HBA | 166.0° | 65.1° |
| CA | C | OXT | HOXT | 179.7° | 180.0° |
| OXT | C | CA | N | 152.5° | 160.0° |
| OXT | C | CA | CB | 88.5° | 80.0° |
| OXT | C | CA | HA | 31.5° | 39.9° |
| CA | N | HN | HNA | 120.0° | 124.0° |
| N | CA | CB | HA | 120.9° | 120.1° |
| N | CA | CB | CAG | 166.5° | 65.0° |
| N | CA | CB | HB | 73.5° | 175.0° |
| N | CA | CB | HBA | 46.5° | 54.9° |
| HN | N | CA | CB | 59.5° | 59.9° |
| HN | N | CA | HA | 60.5° | 180.0° |
| HNA | N | CA | CB | 60.5° | 176.0° |
| HNA | N | CA | HA | 179.5° | 56.0° |
| CA | CB | CAG | HB | 120.0° | 120.0° |
| CA | CB | CAG | HBA | 120.0° | 120.0° |
| CA | CB | HB | HBA | 118.7° | 120.1° |
| CA | CB | CAG | CAF | 159.8° | 180.0° |
| CA | CB | CAG | HAG | 80.2° | 60.0° |
| CA | CB | CAG | HAGA | 39.8° | 60.0° |
| HA | CA | CB | CAG | 45.5° | 55.0° |
| HA | CA | CB | HB | 165.6° | 65.0° |
| HA | CA | CB | HBA | 74.4° | 175.0° |
| CAG | CB | HB | HBA | 118.7° | 120.0° |
| CB | CAG | CAF | HAG | 120.0° | 120.0° |
| CB | CAG | CAF | HAGA | 120.0° | 120.0° |
| CB | CAG | CAF | CAH | 127.4° | 180.0° |
| CB | CAG | CAF | HAF | 7.4° | 60.0° |
| CB | CAG | CAF | HAFA | 112.6° | 60.1° |
| CB | CAG | HAG | HAGA | 118.9° | 120.0° |
| HB | CB | CAG | CAF | 39.8° | 60.0° |
| HB | CB | CAG | HAG | 159.8° | 180.0° |
| HB | CB | CAG | HAGA | 80.2° | 59.9° |
| HBA | CB | CAG | CAF | 80.2° | 60.0° |
| HBA | CB | CAG | HAG | 39.8° | 60.0° |
| HBA | CB | CAG | HAGA | 159.8° | 180.0° |
| OAB | CAJ | OAD | CAH | 179.3° | 180.0° |
| OAB | CAJ | OAD | HOAD | 0.0° | 0.0° |
| OAB | CAJ | CAH | CAF | 121.3° | 0.0° |
| OAB | CAJ | CAH | HAH | 118.6° | 120.0° |
| OAB | CAJ | CAH | HAHA | 1.4° | 120.0° |
| OAD | CAJ | CAH | CAF | 58.0° | 180.0° |
| OAD | CAJ | CAH | HAH | 62.0° | 60.0° |
| OAD | CAJ | CAH | HAHA | 178.0° | 60.0° |
| HOAD | OAD | CAJ | CAH | 179.3° | 180.0° |
| CAG | CAF | CAH | HAF | 120.0° | 120.0° |
| CAG | CAF | CAH | HAFA | 120.0° | 120.0° |
| CAG | CAF | HAF | HAFA | 119.2° | 120.1° |
| CAF | CAG | HAG | HAGA | 118.9° | 120.0° |
| CAG | CAF | CAH | CAJ | 155.7° | 180.0° |
| CAG | CAF | CAH | HAH | 35.7° | 60.0° |
| CAG | CAF | CAH | HAHA | 84.3° | 60.0° |
| CAH | CAF | HAF | HAFA | 119.3° | 120.0° |
| CAH | CAF | CAG | HAG | 112.6° | 60.0° |
| CAH | CAF | CAG | HAGA | 7.4° | 60.0° |
| CAF | CAH | CAJ | HAH | 120.0° | 120.1° |
| CAF | CAH | CAJ | HAHA | 120.0° | 120.0° |
| CAF | CAH | HAH | HAHA | 119.4° | 120.0° |
| HAF | CAF | CAG | HAG | 127.3° | 180.0° |
| HAF | CAF | CAG | HAGA | 112.7° | 59.9° |
| HAF | CAF | CAH | CAJ | 84.3° | 60.0° |
| HAF | CAF | CAH | HAH | 155.6° | 180.0° |
| HAF | CAF | CAH | HAHA | 35.7° | 59.9° |
| HAFA | CAF | CAG | HAG | 7.4° | 59.9° |
| HAFA | CAF | CAG | HAGA | 127.4° | 180.0° |
| HAFA | CAF | CAH | CAJ | 35.7° | 60.0° |
| HAFA | CAF | CAH | HAH | 84.3° | 60.0° |
| HAFA | CAF | CAH | HAHA | 155.7° | 180.0° |
| CAJ | CAH | HAH | HAHA | 119.5° | 120.0° |
