NDZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CB | CAJ | sing | 1.53Å | 1.54Å | |
| CAJ | CAD | sing | 1.51Å | 1.57Å | |
| CAJ | CAR | sing | 1.54Å | 1.55Å | |
| CAJ | OAI | sing | 1.44Å | 1.46Å | |
| CAD | OAA | doub | 1.21Å | 1.25Å | |
| CAD | OAE | sing | 1.34Å | 1.26Å | |
| CAR | CAQ | sing | 1.56Å | 1.53Å | |
| OAI | CAH | sing | 1.44Å | 1.46Å | |
| CAH | CAQ | sing | 1.55Å | 1.55Å | |
| CAH | CAG | sing | 1.51Å | 1.55Å | |
| CAQ | OAP | sing | 1.43Å | 1.44Å | |
| OAP | CAO | sing | 1.42Å | 1.46Å | |
| CAO | CAF | sing | 1.53Å | 1.54Å | |
| CAF | OAB | sing | 1.43Å | 1.44Å | |
| CAF | CAG | sing | 1.53Å | 1.55Å | |
| CAG | OAC | sing | 1.43Å | 1.46Å | |
| OXT | HOXT | sing | 0.97Å | 0.95Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| OAE | HOAE | sing | 0.97Å | 0.95Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAR | HARA | sing | 1.09Å | 1.10Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 126.1° | 120.0° |
| O | C | CA | 116.8° | 120.0° |
| OXT | C | CA | 117.1° | 120.0° |
| C | OXT | HOXT | 109.5° | 116.9° |
| C | CA | N | 108.8° | 109.5° |
| C | CA | CB | 106.1° | 109.5° |
| C | CA | HA | 112.4° | 109.4° |
| N | CA | CB | 110.4° | 109.5° |
| N | CA | HA | 108.2° | 109.5° |
| CA | N | HN | 109.5° | 111.0° |
| CA | N | HNA | 109.4° | 111.0° |
| CA | CB | CAJ | 111.5° | 109.5° |
| CB | CA | HA | 110.8° | 109.4° |
| CA | CB | HB | 108.8° | 109.4° |
| CA | CB | HBA | 108.3° | 109.5° |
| CB | CAJ | CAD | 112.0° | 109.9° |
| CB | CAJ | CAR | 108.3° | 109.9° |
| CB | CAJ | OAI | 108.7° | 109.9° |
| CAJ | CB | HB | 108.8° | 109.5° |
| CAJ | CB | HBA | 108.3° | 109.5° |
| CAD | CAJ | CAR | 110.9° | 109.9° |
| CAD | CAJ | OAI | 110.0° | 109.9° |
| CAJ | CAD | OAA | 118.2° | 120.0° |
| CAJ | CAD | OAE | 117.1° | 120.0° |
| CAR | CAJ | OAI | 106.7° | 107.4° |
| CAJ | CAR | CAQ | 103.9° | 104.0° |
| CAJ | CAR | HAR | 111.4° | 110.5° |
| CAJ | CAR | HARA | 112.5° | 110.5° |
| CAJ | OAI | CAH | 108.3° | 106.4° |
| OAA | CAD | OAE | 124.8° | 120.0° |
| CAD | OAE | HOAE | 109.5° | 117.0° |
| CAR | CAQ | CAH | 100.8° | 101.2° |
| CAR | CAQ | OAP | 106.6° | 106.6° |
| CAQ | CAR | HAR | 111.4° | 110.6° |
| CAQ | CAR | HARA | 112.6° | 110.6° |
| CAR | CAQ | HAQ | 117.7° | 112.5° |
| OAI | CAH | CAQ | 106.0° | 104.3° |
| OAI | CAH | CAG | 109.3° | 112.3° |
| OAI | CAH | HAH | 113.7° | 109.5° |
| CAQ | CAH | CAG | 114.6° | 112.4° |
| CAH | CAQ | OAP | 112.5° | 110.5° |
| CAQ | CAH | HAH | 108.4° | 109.5° |
| CAH | CAQ | HAQ | 112.2° | 112.5° |
| CAH | CAG | CAF | 112.3° | 110.6° |
| CAH | CAG | OAC | 109.6° | 109.3° |
| CAG | CAH | HAH | 105.0° | 108.8° |
| CAH | CAG | HAG | 108.2° | 109.3° |
| CAQ | OAP | CAO | 112.9° | 115.7° |
| OAP | CAQ | HAQ | 107.0° | 112.8° |
| OAP | CAO | CAF | 111.4° | 108.5° |
| OAP | CAO | HAO | 108.8° | 109.6° |
| OAP | CAO | HAOA | 108.4° | 109.7° |
| CAO | CAF | OAB | 110.1° | 109.7° |
| CAO | CAF | CAG | 110.4° | 108.4° |
| CAF | CAO | HAO | 108.9° | 109.6° |
| CAF | CAO | HAOA | 108.4° | 109.6° |
| CAO | CAF | HAF | 108.6° | 109.8° |
| OAB | CAF | CAG | 110.0° | 109.5° |
| OAB | CAF | HAF | 109.0° | 109.8° |
| CAF | OAB | HOAB | 109.5° | 114.0° |
| CAF | CAG | OAC | 111.5° | 109.4° |
| CAG | CAF | HAF | 108.7° | 109.7° |
| CAF | CAG | HAG | 106.1° | 109.0° |
| OAC | CAG | HAG | 109.0° | 109.2° |
| CAG | OAC | HOAC | 109.5° | 114.0° |
| HN | N | HNA | 109.4° | 111.0° |
| HB | CB | HBA | 111.1° | 109.5° |
| HAR | CAR | HARA | 105.3° | 110.6° |
| HAO | CAO | HAOA | 110.9° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CA | 178.7° | 179.8° |
| O | C | CA | N | 7.5° | 20.0° |
| O | C | CA | CB | 126.4° | 100.0° |
| O | C | OXT | HOXT | 0.0° | 0.1° |
| O | C | CA | HA | 112.3° | 140.0° |
| OXT | C | CA | N | 171.3° | 159.7° |
| OXT | C | CA | CB | 52.5° | 80.2° |
| OXT | C | CA | HA | 68.8° | 39.7° |
| C | CA | N | CB | 116.1° | 120.0° |
| C | CA | N | HA | 122.4° | 120.0° |
| C | CA | CB | HA | 122.3° | 120.0° |
| C | CA | CB | CAJ | 163.8° | 175.0° |
| CA | C | OXT | HOXT | 178.7° | 179.7° |
| C | CA | N | HN | 114.0° | 60.0° |
| C | CA | N | HNA | 126.1° | 176.0° |
| C | CA | CB | HB | 76.2° | 65.1° |
| C | CA | CB | HBA | 44.6° | 55.0° |
| N | CA | CB | HA | 119.9° | 120.0° |
| N | CA | CB | CAJ | 78.4° | 65.0° |
| CA | N | HN | HNA | 120.0° | 124.0° |
| N | CA | CB | HB | 41.6° | 55.0° |
| N | CA | CB | HBA | 162.4° | 175.0° |
| CA | CB | CAJ | HB | 120.0° | 120.0° |
| CA | CB | CAJ | HBA | 119.1° | 120.0° |
| CA | CB | CAJ | CAD | 56.8° | 54.3° |
| CA | CB | CAJ | CAR | 179.5° | 175.3° |
| CA | CB | CAJ | OAI | 65.0° | 66.7° |
| CB | CA | N | HN | 2.2° | 60.0° |
| CB | CA | N | HNA | 117.8° | 64.0° |
| CA | CB | HB | HBA | 119.2° | 120.0° |
| CB | CAJ | CAD | CAR | 121.2° | 121.0° |
| CB | CAJ | CAD | OAI | 121.0° | 121.0° |
| CB | CAJ | CAR | OAI | 116.9° | 119.5° |
| CB | CAJ | CAD | OAA | 134.4° | 95.7° |
| CB | CAJ | CAD | OAE | 46.2° | 84.3° |
| CB | CAJ | CAR | CAQ | 138.5° | 118.6° |
| CB | CAJ | OAI | CAH | 114.8° | 93.4° |
| CAJ | CB | CA | HA | 41.5° | 55.0° |
| CAJ | CB | HB | HBA | 119.1° | 120.0° |
| CB | CAJ | CAR | HAR | 18.5° | 0.1° |
| CB | CAJ | CAR | HARA | 99.4° | 122.7° |
| CAD | CAJ | CAR | OAI | 119.8° | 119.5° |
| CAJ | CAD | OAA | OAE | 179.3° | 179.9° |
| CAD | CAJ | CAR | CAQ | 98.2° | 120.4° |
| CAD | CAJ | OAI | CAH | 122.2° | 145.5° |
| CAD | CAJ | CB | HB | 176.8° | 174.3° |
| CAD | CAJ | CB | HBA | 62.3° | 65.7° |
| CAJ | CAD | OAE | HOAE | 179.3° | 180.0° |
| CAD | CAJ | CAR | HAR | 141.8° | 121.0° |
| CAD | CAJ | CAR | HARA | 23.9° | 1.7° |
| CAR | CAJ | CAD | OAA | 104.4° | 25.4° |
| CAR | CAJ | CAD | OAE | 75.0° | 154.7° |
| CAJ | CAR | CAQ | HAR | 120.0° | 118.6° |
| CAJ | CAR | CAQ | HARA | 122.0° | 118.6° |
| CAR | CAJ | OAI | CAH | 1.8° | 26.0° |
| CAJ | CAR | CAQ | CAH | 34.7° | 22.2° |
| CAJ | CAR | CAQ | OAP | 82.9° | 93.4° |
| CAR | CAJ | CB | HB | 60.5° | 64.7° |
| CAR | CAJ | CB | HBA | 60.3° | 55.3° |
| CAJ | CAR | HAR | HARA | 122.2° | 122.6° |
| CAJ | CAR | CAQ | HAQ | 157.0° | 142.5° |
| OAI | CAJ | CAD | OAA | 13.4° | 143.3° |
| OAI | CAJ | CAD | OAE | 167.2° | 36.8° |
| OAI | CAJ | CAR | CAQ | 21.7° | 0.9° |
| CAJ | OAI | CAH | CAQ | 24.5° | 40.9° |
| CAJ | OAI | CAH | CAG | 148.5° | 162.9° |
| OAI | CAJ | CB | HB | 55.1° | 53.3° |
| OAI | CAJ | CB | HBA | 175.9° | 173.3° |
| OAI | CAJ | CAR | HAR | 98.4° | 119.5° |
| OAI | CAJ | CAR | HARA | 143.7° | 117.8° |
| CAJ | OAI | CAH | HAH | 94.5° | 76.2° |
| OAA | CAD | OAE | HOAE | 0.0° | 0.1° |
| CAR | CAQ | CAH | OAI | 36.9° | 38.6° |
| CAR | CAQ | CAH | OAP | 113.1° | 112.6° |
| CAR | CAQ | CAH | HAQ | 126.1° | 120.3° |
| CAR | CAQ | CAH | CAG | 157.6° | 160.4° |
| CAR | CAQ | OAP | HAQ | 126.7° | 124.0° |
| CAR | CAQ | OAP | CAO | 164.9° | 164.5° |
| CAQ | CAR | HAR | HARA | 122.3° | 122.8° |
| CAR | CAQ | CAH | HAH | 85.5° | 78.5° |
| OAI | CAH | CAQ | CAG | 120.7° | 121.9° |
| OAI | CAH | CAQ | HAH | 122.5° | 117.1° |
| OAI | CAH | CAG | HAH | 122.4° | 121.3° |
| OAI | CAH | CAQ | OAP | 76.2° | 74.1° |
| OAI | CAH | CAG | CAF | 78.0° | 66.8° |
| OAI | CAH | CAG | OAC | 46.6° | 53.8° |
| OAI | CAH | CAQ | HAQ | 163.0° | 158.9° |
| OAI | CAH | CAG | HAG | 165.3° | 173.2° |
| CAQ | CAH | CAG | HAH | 118.8° | 121.5° |
| CAH | CAQ | OAP | HAQ | 123.7° | 126.9° |
| CAH | CAQ | OAP | CAO | 55.4° | 55.5° |
| CAQ | CAH | CAG | CAF | 40.8° | 50.4° |
| CAQ | CAH | CAG | OAC | 165.4° | 171.0° |
| CAH | CAQ | CAR | HAR | 85.3° | 96.4° |
| CAH | CAQ | CAR | HARA | 156.7° | 140.8° |
| CAQ | CAH | CAG | HAG | 75.9° | 69.6° |
| CAG | CAH | CAQ | OAP | 44.5° | 47.8° |
| CAH | CAG | CAF | CAO | 46.4° | 56.4° |
| CAH | CAG | CAF | OAB | 75.3° | 63.3° |
| CAH | CAG | CAF | OAC | 123.5° | 120.5° |
| CAH | CAG | CAF | HAG | 118.0° | 120.2° |
| CAH | CAG | OAC | HAG | 118.2° | 119.5° |
| CAG | CAH | CAQ | HAQ | 76.3° | 79.2° |
| CAH | CAG | CAF | HAF | 165.4° | 176.2° |
| CAH | CAG | OAC | HOAC | 102.3° | 180.0° |
| CAQ | OAP | CAO | CAF | 63.0° | 62.8° |
| OAP | CAQ | CAR | HAR | 157.1° | 148.0° |
| OAP | CAQ | CAR | HARA | 39.1° | 25.3° |
| OAP | CAQ | CAH | HAH | 161.4° | 168.8° |
| CAQ | OAP | CAO | HAO | 57.0° | 56.9° |
| CAQ | OAP | CAO | HAOA | 177.8° | 177.5° |
| OAP | CAO | CAF | HAO | 120.0° | 119.7° |
| OAP | CAO | CAF | HAOA | 119.2° | 119.8° |
| OAP | CAO | CAF | OAB | 64.3° | 58.7° |
| OAP | CAO | CAF | CAG | 57.4° | 60.8° |
| CAO | OAP | CAQ | HAQ | 68.4° | 71.5° |
| OAP | CAO | HAO | HAOA | 119.2° | 120.5° |
| OAP | CAO | CAF | HAF | 176.4° | 179.4° |
| CAO | CAF | OAB | CAG | 121.9° | 118.8° |
| CAO | CAF | OAB | HAF | 119.0° | 120.7° |
| CAO | CAF | CAG | HAF | 119.0° | 119.8° |
| CAO | CAF | CAG | OAC | 169.9° | 176.8° |
| CAF | CAO | HAO | HAOA | 119.2° | 120.4° |
| CAO | CAF | OAB | HOAB | 156.6° | 60.0° |
| CAO | CAF | CAG | HAG | 71.6° | 63.8° |
| OAB | CAF | CAG | HAF | 119.3° | 120.5° |
| OAB | CAF | CAG | OAC | 48.2° | 57.2° |
| OAB | CAF | CAO | HAO | 175.7° | 178.4° |
| OAB | CAF | CAO | HAOA | 54.9° | 61.1° |
| OAB | CAF | CAG | HAG | 166.7° | 176.6° |
| CAF | CAG | OAC | HAG | 116.8° | 119.2° |
| CAF | CAG | CAH | HAH | 159.6° | 171.9° |
| CAG | CAF | CAO | HAO | 62.6° | 58.9° |
| CAG | CAF | CAO | HAOA | 176.6° | 179.4° |
| CAG | CAF | OAB | HOAB | 34.7° | 178.8° |
| CAF | CAG | OAC | HOAC | 132.6° | 58.7° |
| OAC | CAG | CAH | HAH | 75.8° | 67.6° |
| OAC | CAG | CAF | HAF | 71.1° | 63.3° |
| HA | CA | N | HN | 123.6° | 180.0° |
| HA | CA | N | HNA | 3.7° | 56.0° |
| HA | CA | CB | HB | 161.5° | 175.0° |
| HA | CA | CB | HBA | 77.6° | 65.0° |
| HAR | CAR | CAQ | HAQ | 37.0° | 23.9° |
| HARA | CAR | CAQ | HAQ | 80.9° | 98.9° |
| HAH | CAH | CAQ | HAQ | 40.6° | 41.8° |
| HAH | CAH | CAG | HAG | 42.9° | 51.9° |
| HAO | CAO | CAF | HAF | 56.4° | 60.9° |
| HAOA | CAO | CAF | HAF | 64.4° | 59.6° |
| HAF | CAF | OAB | HOAB | 84.4° | 60.7° |
| HAF | CAF | CAG | HAG | 47.4° | 56.0° |
| HAG | CAG | OAC | HOAC | 15.8° | 60.5° |
