MS8
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 | 1.25Å | |
| C | CA | sing | 1.51Å | 1.49Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CB | CAS | sing | 1.53Å | 1.53Å | |
| CAS | CAJ | sing | 1.54Å | 1.54Å | |
| CAS | CAN | sing | 1.51Å | 1.52Å | |
| CAS | OAL | sing | 1.44Å | 1.42Å | |
| CAJ | CAQ | sing | 1.56Å | 1.52Å | |
| CAN | OAC | sing | 1.34Å | 1.25Å | |
| CAN | OAE | doub | 1.21Å | 1.25Å | |
| OAL | CAR | sing | 1.43Å | 1.43Å | |
| CAR | CAQ | sing | 1.54Å | 1.52Å | |
| CAR | CAH | sing | 1.52Å | 1.53Å | |
| CAQ | OAK | sing | 1.43Å | 1.44Å | |
| CAH | CAP | sing | 1.53Å | 1.52Å | |
| CAP | CAG | sing | 1.53Å | 1.53Å | |
| CAG | OAK | sing | 1.43Å | 1.43Å | |
| 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 | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAHA | sing | 1.09Å | 1.10Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAPA | sing | 1.09Å | 1.10Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAGA | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 123.6° | 120.0° |
| O | C | CA | 117.6° | 120.0° |
| OXT | C | CA | 118.8° | 120.0° |
| C | OXT | HOXT | 109.5° | 117.0° |
| C | CA | N | 109.8° | 109.5° |
| C | CA | CB | 108.3° | 109.5° |
| C | CA | HA | 111.4° | 109.5° |
| N | CA | CB | 113.3° | 109.5° |
| N | CA | HA | 106.3° | 109.5° |
| CA | N | HN | 109.5° | 111.0° |
| CA | N | HNA | 109.5° | 111.0° |
| CA | CB | CAS | 112.3° | 109.5° |
| CB | CA | HA | 107.8° | 109.4° |
| CA | CB | HB | 108.5° | 109.5° |
| CA | CB | HBA | 107.9° | 109.5° |
| CB | CAS | CAJ | 111.5° | 109.9° |
| CB | CAS | CAN | 110.3° | 109.9° |
| CB | CAS | OAL | 110.3° | 109.9° |
| CAS | CB | HB | 108.5° | 109.5° |
| CAS | CB | HBA | 107.9° | 109.4° |
| CAJ | CAS | CAN | 110.1° | 109.9° |
| CAJ | CAS | OAL | 103.6° | 107.3° |
| CAS | CAJ | CAQ | 106.2° | 104.0° |
| CAS | CAJ | HAJ | 110.5° | 110.5° |
| CAS | CAJ | HAJA | 111.2° | 110.6° |
| CAN | CAS | OAL | 110.9° | 110.0° |
| CAS | CAN | OAC | 118.7° | 120.0° |
| CAS | CAN | OAE | 117.6° | 120.0° |
| CAS | OAL | CAR | 107.8° | 106.4° |
| CAJ | CAQ | CAR | 102.3° | 101.2° |
| CAJ | CAQ | OAK | 108.2° | 106.6° |
| CAQ | CAJ | HAJ | 110.6° | 110.5° |
| CAQ | CAJ | HAJA | 111.3° | 110.5° |
| CAJ | CAQ | HAQ | 115.8° | 112.5° |
| OAC | CAN | OAE | 123.7° | 120.0° |
| CAN | OAC | HOAC | 109.5° | 117.0° |
| OAL | CAR | CAQ | 103.1° | 104.3° |
| OAL | CAR | CAH | 111.6° | 112.3° |
| OAL | CAR | HAR | 115.2° | 109.5° |
| CAQ | CAR | CAH | 116.9° | 112.3° |
| CAR | CAQ | OAK | 112.4° | 110.6° |
| CAQ | CAR | HAR | 109.7° | 109.5° |
| CAR | CAQ | HAQ | 111.9° | 112.4° |
| CAR | CAH | CAP | 111.3° | 110.7° |
| CAH | CAR | HAR | 100.9° | 108.8° |
| CAR | CAH | HAH | 108.9° | 109.2° |
| CAR | CAH | HAHA | 108.5° | 109.3° |
| CAQ | OAK | CAG | 114.1° | 115.7° |
| OAK | CAQ | HAQ | 106.3° | 112.7° |
| CAH | CAP | CAG | 110.1° | 108.1° |
| CAP | CAH | HAH | 108.9° | 109.3° |
| CAP | CAH | HAHA | 108.5° | 109.2° |
| CAH | CAP | HAP | 109.3° | 109.7° |
| CAH | CAP | HAPA | 109.1° | 109.7° |
| CAP | CAG | OAK | 111.3° | 108.6° |
| CAG | CAP | HAP | 109.3° | 109.8° |
| CAG | CAP | HAPA | 109.1° | 109.8° |
| CAP | CAG | HAG | 108.9° | 109.6° |
| CAP | CAG | HAGA | 108.4° | 109.6° |
| OAK | CAG | HAG | 108.8° | 109.6° |
| OAK | CAG | HAGA | 108.4° | 109.6° |
| HN | N | HNA | 109.5° | 111.0° |
| HB | CB | HBA | 111.7° | 109.5° |
| HAJ | CAJ | HAJA | 107.0° | 110.6° |
| HAH | CAH | HAHA | 110.9° | 109.2° |
| HAP | CAP | HAPA | 110.0° | 109.7° |
| HAG | CAG | HAGA | 110.9° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CA | 179.4° | 179.7° |
| O | C | CA | N | 177.5° | 19.9° |
| O | C | CA | CB | 53.3° | 100.1° |
| O | C | OXT | HOXT | 0.0° | 0.0° |
| O | C | CA | HA | 65.0° | 140.0° |
| OXT | C | CA | N | 3.1° | 159.7° |
| OXT | C | CA | CB | 127.3° | 80.3° |
| OXT | C | CA | HA | 114.4° | 39.7° |
| C | CA | N | CB | 121.3° | 120.0° |
| C | CA | N | HA | 120.6° | 120.0° |
| C | CA | CB | HA | 120.6° | 120.0° |
| C | CA | CB | CAS | 162.0° | 175.0° |
| CA | C | OXT | HOXT | 179.4° | 179.7° |
| C | CA | N | HN | 79.4° | 60.0° |
| C | CA | N | HNA | 40.6° | 176.0° |
| C | CA | CB | HB | 78.0° | 65.0° |
| C | CA | CB | HBA | 43.3° | 55.0° |
| N | CA | CB | HA | 117.3° | 120.0° |
| N | CA | CB | CAS | 75.9° | 65.0° |
| CA | N | HN | HNA | 120.0° | 124.0° |
| N | CA | CB | HB | 44.1° | 55.0° |
| N | CA | CB | HBA | 165.4° | 175.0° |
| CA | CB | CAS | HB | 120.0° | 120.0° |
| CA | CB | CAS | HBA | 118.8° | 120.0° |
| CA | CB | CAS | CAJ | 175.2° | 175.0° |
| CA | CB | CAS | CAN | 62.2° | 54.0° |
| CA | CB | CAS | OAL | 60.7° | 67.1° |
| CB | CA | N | HN | 159.3° | 60.0° |
| CB | CA | N | HNA | 80.7° | 64.0° |
| CA | CB | HB | HBA | 118.9° | 120.0° |
| CB | CAS | CAJ | CAN | 122.7° | 121.0° |
| CB | CAS | CAJ | OAL | 118.6° | 119.4° |
| CB | CAS | CAN | OAL | 122.5° | 121.1° |
| CB | CAS | CAJ | CAQ | 107.5° | 118.6° |
| CB | CAS | CAN | OAC | 41.1° | 84.2° |
| CB | CAS | CAN | OAE | 138.8° | 95.7° |
| CB | CAS | OAL | CAR | 85.6° | 93.5° |
| CAS | CB | CA | HA | 41.4° | 55.0° |
| CAS | CB | HB | HBA | 118.8° | 120.0° |
| CB | CAS | CAJ | HAJ | 12.4° | 0.0° |
| CB | CAS | CAJ | HAJA | 131.2° | 122.8° |
| CAJ | CAS | CAN | OAL | 114.0° | 117.9° |
| CAS | CAJ | CAQ | HAJ | 120.0° | 118.6° |
| CAS | CAJ | CAQ | HAJA | 121.2° | 118.7° |
| CAJ | CAS | CAN | OAC | 82.4° | 154.7° |
| CAJ | CAS | CAN | OAE | 97.8° | 25.4° |
| CAJ | CAS | OAL | CAR | 33.9° | 26.0° |
| CAS | CAJ | CAQ | CAR | 13.4° | 22.3° |
| CAS | CAJ | CAQ | OAK | 105.5° | 93.4° |
| CAJ | CAS | CB | HB | 55.3° | 65.0° |
| CAJ | CAS | CB | HBA | 66.0° | 55.0° |
| CAS | CAJ | HAJ | HAJA | 121.3° | 122.8° |
| CAS | CAJ | CAQ | HAQ | 135.4° | 142.5° |
| CAN | CAS | CAJ | CAQ | 129.7° | 120.3° |
| CAS | CAN | OAC | OAE | 179.8° | 179.9° |
| CAN | CAS | OAL | CAR | 151.9° | 145.5° |
| CAN | CAS | CB | HB | 177.9° | 174.0° |
| CAN | CAS | CB | HBA | 56.6° | 66.0° |
| CAN | CAS | CAJ | HAJ | 110.3° | 121.1° |
| CAN | CAS | CAJ | HAJA | 8.5° | 1.7° |
| CAS | CAN | OAC | HOAC | 179.8° | 180.0° |
| OAL | CAS | CAJ | CAQ | 11.1° | 0.8° |
| OAL | CAS | CAN | OAC | 163.6° | 36.8° |
| OAL | CAS | CAN | OAE | 16.2° | 143.3° |
| CAS | OAL | CAR | CAQ | 43.2° | 41.0° |
| CAS | OAL | CAR | CAH | 169.5° | 162.9° |
| OAL | CAS | CB | HB | 59.3° | 52.9° |
| OAL | CAS | CB | HBA | 179.5° | 172.8° |
| OAL | CAS | CAJ | HAJ | 131.1° | 119.4° |
| OAL | CAS | CAJ | HAJA | 110.2° | 117.8° |
| CAS | OAL | CAR | HAR | 76.3° | 76.1° |
| CAJ | CAQ | CAR | OAL | 33.3° | 38.7° |
| CAJ | CAQ | CAR | OAK | 115.9° | 112.7° |
| CAJ | CAQ | CAR | HAQ | 124.6° | 120.3° |
| CAJ | CAQ | CAR | CAH | 156.0° | 160.5° |
| CAJ | CAQ | OAK | HAQ | 125.0° | 124.0° |
| CAJ | CAQ | OAK | CAG | 162.3° | 164.5° |
| CAQ | CAJ | HAJ | HAJA | 121.3° | 122.7° |
| CAJ | CAQ | CAR | HAR | 90.0° | 78.5° |
| OAE | CAN | OAC | HOAC | 0.0° | 0.1° |
| OAL | CAR | CAQ | CAH | 122.8° | 121.9° |
| OAL | CAR | CAQ | HAR | 123.2° | 117.1° |
| OAL | CAR | CAH | HAR | 122.9° | 121.5° |
| OAL | CAR | CAQ | OAK | 82.6° | 74.1° |
| OAL | CAR | CAH | CAP | 77.7° | 66.5° |
| OAL | CAR | CAQ | HAQ | 157.9° | 158.9° |
| OAL | CAR | CAH | HAH | 42.4° | 53.9° |
| OAL | CAR | CAH | HAHA | 163.1° | 173.2° |
| CAQ | CAR | CAH | HAR | 118.9° | 121.4° |
| CAR | CAQ | OAK | HAQ | 122.7° | 126.9° |
| CAQ | CAR | CAH | CAP | 40.6° | 50.7° |
| CAR | CAQ | OAK | CAG | 50.1° | 55.3° |
| CAR | CAQ | CAJ | HAJ | 106.6° | 96.3° |
| CAR | CAQ | CAJ | HAJA | 134.6° | 140.9° |
| CAQ | CAR | CAH | HAH | 160.6° | 171.0° |
| CAQ | CAR | CAH | HAHA | 78.6° | 69.6° |
| CAH | CAR | CAQ | OAK | 40.2° | 47.8° |
| CAR | CAH | CAP | HAH | 120.0° | 120.3° |
| CAR | CAH | CAP | HAHA | 119.2° | 120.3° |
| CAR | CAH | CAP | CAG | 48.5° | 56.7° |
| CAH | CAR | CAQ | HAQ | 79.4° | 79.2° |
| CAR | CAH | HAH | HAHA | 119.2° | 119.4° |
| CAR | CAH | CAP | HAP | 71.5° | 63.0° |
| CAR | CAH | CAP | HAPA | 168.2° | 176.4° |
| CAQ | OAK | CAG | CAP | 61.2° | 62.7° |
| OAK | CAQ | CAJ | HAJ | 134.6° | 148.0° |
| OAK | CAQ | CAJ | HAJA | 15.8° | 25.2° |
| OAK | CAQ | CAR | HAR | 154.2° | 168.8° |
| CAQ | OAK | CAG | HAG | 178.8° | 177.5° |
| CAQ | OAK | CAG | HAGA | 58.0° | 57.0° |
| CAH | CAP | CAG | HAP | 120.0° | 119.6° |
| CAH | CAP | CAG | HAPA | 119.7° | 119.7° |
| CAH | CAP | CAG | OAK | 59.7° | 60.9° |
| CAP | CAH | CAR | HAR | 159.5° | 172.1° |
| CAP | CAH | HAH | HAHA | 119.3° | 119.4° |
| CAH | CAP | HAP | HAPA | 119.8° | 120.6° |
| CAH | CAP | CAG | HAG | 179.6° | 179.3° |
| CAH | CAP | CAG | HAGA | 59.6° | 58.8° |
| CAP | CAG | OAK | HAG | 120.0° | 119.7° |
| CAP | CAG | OAK | HAGA | 119.2° | 119.7° |
| CAG | CAP | CAH | HAH | 168.5° | 177.0° |
| CAG | CAP | CAH | HAHA | 70.8° | 63.6° |
| CAG | CAP | HAP | HAPA | 119.7° | 120.7° |
| CAP | CAG | HAG | HAGA | 119.2° | 120.5° |
| CAG | OAK | CAQ | HAQ | 72.7° | 71.5° |
| OAK | CAG | CAP | HAP | 60.4° | 58.7° |
| OAK | CAG | CAP | HAPA | 179.4° | 179.4° |
| OAK | CAG | HAG | HAGA | 119.2° | 120.4° |
| HA | CA | N | HN | 41.2° | 180.0° |
| HA | CA | N | HNA | 161.2° | 56.0° |
| HA | CA | CB | HB | 161.4° | 175.0° |
| HA | CA | CB | HBA | 77.4° | 65.0° |
| HAJ | CAJ | CAQ | HAQ | 15.4° | 23.9° |
| HAJA | CAJ | CAQ | HAQ | 103.4° | 98.9° |
| HAR | CAR | CAQ | HAQ | 34.6° | 41.8° |
| HAR | CAR | CAH | HAH | 80.5° | 67.6° |
| HAR | CAR | CAH | HAHA | 40.2° | 51.8° |
| HAH | CAH | CAP | HAP | 48.5° | 57.3° |
| HAH | CAH | CAP | HAPA | 71.8° | 63.3° |
| HAHA | CAH | CAP | HAP | 169.3° | 176.7° |
| HAHA | CAH | CAP | HAPA | 49.0° | 56.1° |
| HAP | CAP | CAG | HAG | 59.6° | 61.0° |
| HAP | CAP | CAG | HAGA | 179.6° | 178.4° |
| HAPA | CAP | CAG | HAG | 60.6° | 59.6° |
| HAPA | CAP | CAG | HAGA | 60.2° | 60.9° |
