92B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.25Å | |
| C7 | C8 | sing | 1.47Å | 1.40Å | |
| C23 | C8 | sing | 1.53Å | 1.51Å | |
| C23 | C22 | sing | 1.55Å | 1.49Å | |
| C8 | CA | sing | 1.52Å | 1.52Å | |
| C6 | C5 | sing | 1.48Å | 1.40Å | |
| C | OXT | sing | 1.34Å | 1.24Å | |
| C | C2 | sing | 1.51Å | 1.42Å | |
| C22 | N | sing | 1.49Å | 1.47Å | |
| C4 | C5 | sing | 1.55Å | 1.53Å | |
| C4 | C3 | sing | 1.54Å | 1.52Å | |
| C5 | N1 | sing | 1.46Å | 1.48Å | |
| CA | C25 | sing | 1.46Å | 1.41Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| N1 | C25 | sing | 1.33Å | 1.31Å | |
| N1 | C2 | sing | 1.48Å | 1.48Å | |
| C25 | O7 | doub | 1.21Å | 1.24Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C8 | H30 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C7 | H32 | sing | 1.08Å | 1.08Å | |
| C6 | H33 | sing | 1.08Å | 1.08Å | |
| C5 | H34 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H35 | sing | 1.09Å | 1.10Å | |
| C3 | H36 | sing | 1.09Å | 1.10Å | |
| C2 | H37 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | doub | 1.26Å | 1.39Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 124.9° | 120.1° |
| O | C | C2 | 119.1° | 120.0° |
| C7 | C8 | C23 | 113.0° | 115.7° |
| C7 | C8 | CA | 110.7° | 113.9° |
| C7 | C8 | H30 | 111.5° | 107.5° |
| C8 | C7 | H32 | 116.2° | 114.8° |
| C8 | C7 | C6 | 127.6° | 130.4° |
| C8 | C23 | C22 | 97.1° | 104.3° |
| C23 | C8 | CA | 101.5° | 103.3° |
| C8 | C23 | H28 | 112.5° | 110.5° |
| C8 | C23 | H29 | 112.5° | 110.5° |
| C23 | C8 | H30 | 109.9° | 108.0° |
| C23 | C22 | N | 106.7° | 107.0° |
| C23 | C22 | H26 | 110.2° | 109.9° |
| C23 | C22 | H27 | 110.1° | 110.1° |
| C22 | C23 | H28 | 112.4° | 110.4° |
| C22 | C23 | H29 | 112.5° | 110.5° |
| C8 | CA | C25 | 106.2° | 114.5° |
| C8 | CA | N | 104.0° | 104.0° |
| CA | C8 | H30 | 109.8° | 108.0° |
| C8 | CA | HA | 109.8° | 106.9° |
| C6 | C5 | C4 | 109.5° | 108.0° |
| C6 | C5 | N1 | 114.8° | 116.7° |
| C5 | C6 | H33 | 115.1° | 113.4° |
| C6 | C5 | H34 | 111.0° | 109.1° |
| C5 | C6 | C7 | 129.8° | 133.2° |
| OXT | C | C2 | 116.0° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| C | C2 | N1 | 111.1° | 109.8° |
| C | C2 | C3 | 114.1° | 109.8° |
| C | C2 | H37 | 110.6° | 109.7° |
| C22 | N | CA | 105.1° | 104.9° |
| C22 | N | H | 110.5° | 111.0° |
| N | C22 | H26 | 110.2° | 109.9° |
| N | C22 | H27 | 110.2° | 110.0° |
| C5 | C4 | C3 | 100.1° | 103.7° |
| C4 | C5 | N1 | 102.2° | 105.3° |
| C4 | C5 | H34 | 109.1° | 108.3° |
| C5 | C4 | H42 | 111.7° | 110.6° |
| C5 | C4 | H35 | 111.7° | 110.6° |
| C4 | C3 | C2 | 98.1° | 105.0° |
| C3 | C4 | H42 | 111.8° | 110.5° |
| C3 | C4 | H35 | 111.8° | 110.6° |
| C4 | C3 | H36 | 112.2° | 110.3° |
| C4 | C3 | H1 | 112.2° | 110.3° |
| C5 | N1 | C25 | 122.2° | 129.9° |
| C5 | N1 | C2 | 108.8° | 107.4° |
| N1 | C5 | H34 | 109.8° | 109.1° |
| C25 | CA | N | 114.6° | 116.9° |
| CA | C25 | N1 | 121.2° | 128.1° |
| CA | C25 | O7 | 121.3° | 115.9° |
| C25 | CA | HA | 111.5° | 107.4° |
| CA | N | H | 110.6° | 111.0° |
| N | CA | HA | 110.4° | 106.5° |
| C25 | N1 | C2 | 128.9° | 122.6° |
| N1 | C25 | O7 | 117.3° | 116.0° |
| N1 | C2 | C3 | 101.8° | 108.0° |
| N1 | C2 | H37 | 109.7° | 109.7° |
| C2 | C3 | H36 | 112.2° | 110.3° |
| C3 | C2 | H37 | 109.2° | 109.8° |
| C2 | C3 | H1 | 112.2° | 110.4° |
| H26 | C22 | H27 | 109.4° | 110.0° |
| H28 | C23 | H29 | 109.5° | 110.5° |
| H32 | C7 | C6 | 116.2° | 114.8° |
| H33 | C6 | C7 | 115.1° | 113.4° |
| H42 | C4 | H35 | 109.5° | 110.6° |
| H36 | C3 | H1 | 109.4° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | C2 | 177.3° | 180.0° |
| O | C | C2 | N1 | 2.9° | 0.0° |
| O | C | C2 | C3 | 117.2° | 118.6° |
| O | C | C2 | H37 | 119.2° | 120.7° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C7 | C8 | C23 | CA | 118.6° | 125.2° |
| C7 | C8 | C23 | H30 | 125.2° | 120.5° |
| C7 | C8 | C23 | C22 | 167.5° | 148.7° |
| C7 | C8 | CA | H30 | 123.5° | 119.4° |
| C8 | C7 | C6 | C5 | 2.3° | 2.2° |
| C7 | C8 | CA | C25 | 80.6° | 65.7° |
| C7 | C8 | CA | N | 158.1° | 165.6° |
| C7 | C8 | C23 | H28 | 74.6° | 30.1° |
| C7 | C8 | C23 | H29 | 49.6° | 92.6° |
| C7 | C8 | CA | HA | 40.0° | 53.1° |
| C8 | C7 | H32 | C6 | 180.0° | 179.9° |
| C8 | C7 | C6 | H33 | 177.7° | 177.7° |
| C8 | C23 | C22 | H28 | 117.9° | 118.7° |
| C8 | C23 | C22 | H29 | 117.9° | 118.7° |
| C23 | C8 | CA | H30 | 116.2° | 114.3° |
| C8 | C23 | C22 | N | 43.8° | 0.2° |
| C23 | C8 | CA | C25 | 159.1° | 168.0° |
| C23 | C8 | CA | N | 37.9° | 39.2° |
| C8 | C23 | C22 | H26 | 75.8° | 119.5° |
| C8 | C23 | C22 | H27 | 163.4° | 119.3° |
| C8 | C23 | H28 | H29 | 125.8° | 122.6° |
| C23 | C8 | CA | HA | 80.2° | 73.3° |
| C23 | C8 | C7 | H32 | 40.7° | 20.6° |
| C23 | C8 | C7 | C6 | 139.3° | 159.3° |
| C22 | C23 | C8 | CA | 48.9° | 23.5° |
| C23 | C22 | N | H26 | 119.6° | 119.3° |
| C23 | C22 | N | H27 | 119.6° | 119.5° |
| C23 | C22 | N | CA | 21.3° | 24.3° |
| C23 | C22 | N | H | 140.7° | 95.7° |
| C23 | C22 | H26 | H27 | 121.3° | 121.3° |
| C22 | C23 | H28 | H29 | 125.8° | 122.6° |
| C22 | C23 | C8 | H30 | 67.3° | 90.7° |
| C8 | CA | N | C22 | 10.6° | 39.5° |
| C8 | CA | C25 | N | 114.2° | 122.0° |
| C8 | CA | C25 | HA | 119.6° | 118.5° |
| C8 | CA | N | HA | 117.7° | 112.7° |
| C8 | CA | C25 | N1 | 74.1° | 37.5° |
| C8 | CA | C25 | O7 | 100.5° | 142.6° |
| C8 | CA | N | H | 108.7° | 80.4° |
| CA | C8 | C23 | H28 | 166.8° | 95.1° |
| CA | C8 | C23 | H29 | 69.0° | 142.2° |
| CA | C8 | C7 | H32 | 153.8° | 140.2° |
| CA | C8 | C7 | C6 | 26.2° | 39.7° |
| C6 | C5 | C4 | N1 | 122.1° | 125.4° |
| C6 | C5 | C4 | H34 | 121.7° | 118.0° |
| C6 | C5 | C4 | C3 | 160.6° | 157.3° |
| C6 | C5 | N1 | H34 | 125.9° | 124.2° |
| C6 | C5 | N1 | C25 | 55.3° | 32.7° |
| C6 | C5 | N1 | C2 | 127.9° | 150.8° |
| C5 | C6 | C7 | H32 | 177.7° | 177.9° |
| C5 | C6 | H33 | C7 | 180.0° | 179.9° |
| C6 | C5 | C4 | H42 | 80.9° | 84.2° |
| C6 | C5 | C4 | H35 | 42.1° | 38.7° |
| OXT | C | C2 | N1 | 179.7° | 180.0° |
| OXT | C | C2 | C3 | 65.4° | 61.4° |
| OXT | C | C2 | H37 | 58.2° | 59.3° |
| C | C2 | C3 | C4 | 73.2° | 117.0° |
| C | C2 | N1 | C5 | 98.5° | 137.5° |
| C | C2 | N1 | C25 | 84.9° | 45.6° |
| C | C2 | N1 | C3 | 121.8° | 119.7° |
| C | C2 | N1 | H37 | 122.6° | 120.7° |
| C | C2 | C3 | H37 | 124.4° | 120.7° |
| C | C2 | C3 | H36 | 168.6° | 124.1° |
| C2 | C | OXT | HXT | 177.2° | 180.0° |
| C | C2 | C3 | H1 | 44.9° | 1.9° |
| C22 | N | CA | C25 | 126.0° | 166.8° |
| C22 | N | CA | H | 119.3° | 119.9° |
| N | C22 | H26 | H27 | 121.3° | 121.2° |
| N | C22 | C23 | H28 | 161.7° | 118.5° |
| N | C22 | C23 | H29 | 74.1° | 118.9° |
| C22 | N | CA | HA | 107.1° | 73.2° |
| C5 | C4 | C3 | H42 | 118.4° | 118.6° |
| C5 | C4 | C3 | H35 | 118.5° | 118.6° |
| C4 | C5 | N1 | H34 | 115.7° | 116.1° |
| C4 | C5 | N1 | C25 | 173.7° | 152.5° |
| C4 | C5 | N1 | C2 | 9.5° | 31.0° |
| C5 | C4 | C3 | C2 | 52.4° | 20.6° |
| C4 | C5 | C6 | H33 | 37.5° | 62.1° |
| C5 | C4 | H42 | H35 | 124.3° | 122.9° |
| C5 | C4 | C3 | H36 | 65.7° | 98.3° |
| C5 | C4 | C3 | H1 | 170.6° | 139.6° |
| C4 | C5 | C6 | C7 | 142.5° | 117.9° |
| C3 | C4 | C5 | N1 | 38.5° | 31.9° |
| C4 | C3 | C2 | N1 | 46.4° | 2.7° |
| C4 | C3 | C2 | H36 | 118.1° | 118.9° |
| C4 | C3 | C2 | H1 | 118.1° | 119.0° |
| C3 | C4 | C5 | H34 | 77.7° | 84.7° |
| C3 | C4 | H42 | H35 | 124.4° | 122.8° |
| C4 | C3 | H36 | H1 | 125.3° | 122.2° |
| C4 | C3 | C2 | H37 | 162.4° | 122.3° |
| C5 | N1 | C25 | CA | 4.3° | 20.6° |
| C5 | N1 | C25 | C2 | 176.2° | 176.1° |
| C5 | N1 | C25 | O7 | 179.1° | 159.4° |
| C5 | N1 | C2 | C3 | 23.3° | 17.8° |
| N1 | C5 | C6 | H33 | 151.7° | 179.6° |
| N1 | C5 | C4 | H42 | 157.0° | 150.5° |
| N1 | C5 | C4 | H35 | 80.0° | 86.7° |
| C5 | N1 | C2 | H37 | 138.9° | 101.8° |
| N1 | C5 | C6 | C7 | 28.2° | 0.4° |
| C25 | CA | N | HA | 126.8° | 120.0° |
| CA | C25 | N1 | O7 | 174.8° | 180.0° |
| CA | C25 | N1 | C2 | 179.6° | 163.3° |
| C25 | CA | N | H | 6.7° | 46.8° |
| C25 | CA | C8 | H30 | 42.9° | 53.7° |
| N | CA | C25 | N1 | 171.7° | 159.5° |
| N | CA | C25 | O7 | 13.7° | 20.6° |
| CA | N | C22 | H26 | 98.3° | 95.0° |
| CA | N | C22 | H27 | 140.9° | 143.8° |
| N | CA | C8 | H30 | 78.4° | 75.1° |
| C25 | N1 | C2 | C3 | 153.3° | 165.3° |
| N1 | C25 | CA | HA | 45.5° | 81.0° |
| C25 | N1 | C5 | H34 | 70.7° | 91.5° |
| C25 | N1 | C2 | H37 | 37.7° | 75.1° |
| C2 | N1 | C25 | O7 | 4.7° | 16.7° |
| N1 | C2 | C3 | H37 | 116.0° | 119.6° |
| C2 | N1 | C5 | H34 | 106.2° | 85.0° |
| N1 | C2 | C3 | H36 | 71.7° | 116.2° |
| N1 | C2 | C3 | H1 | 164.6° | 121.6° |
| O7 | C25 | CA | HA | 139.9° | 99.0° |
| C2 | C3 | C4 | H42 | 170.9° | 139.2° |
| C2 | C3 | C4 | H35 | 66.0° | 98.0° |
| C2 | C3 | H36 | H1 | 125.3° | 122.2° |
| H | N | C22 | H26 | 21.1° | 145.0° |
| H | N | C22 | H27 | 99.8° | 23.9° |
| H | N | CA | HA | 133.6° | 166.8° |
| H26 | C22 | C23 | H28 | 42.1° | 0.8° |
| H26 | C22 | C23 | H29 | 166.3° | 121.8° |
| H27 | C22 | C23 | H28 | 78.7° | 122.1° |
| H27 | C22 | C23 | H29 | 45.5° | 0.5° |
| H28 | C23 | C8 | H30 | 50.6° | 150.6° |
| H29 | C23 | C8 | H30 | 174.8° | 28.0° |
| H30 | C8 | CA | HA | 163.5° | 172.5° |
| H30 | C8 | C7 | H32 | 83.7° | 100.2° |
| H30 | C8 | C7 | C6 | 96.3° | 79.9° |
| H32 | C7 | C6 | H33 | 2.3° | 2.2° |
| H33 | C6 | C5 | H34 | 83.0° | 55.4° |
| H34 | C5 | C4 | H42 | 40.8° | 33.9° |
| H34 | C5 | C4 | H35 | 163.8° | 156.7° |
| H34 | C5 | C6 | C7 | 97.0° | 124.6° |
| H42 | C4 | C3 | H36 | 52.7° | 20.3° |
| H42 | C4 | C3 | H1 | 71.0° | 101.8° |
| H35 | C4 | C3 | H36 | 175.8° | 143.1° |
| H35 | C4 | C3 | H1 | 52.1° | 21.0° |
| H36 | C3 | C2 | H37 | 44.3° | 3.4° |
| H37 | C2 | C3 | H1 | 79.5° | 118.7° |
