8BB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | H | sing | 0.97Å | 1.00Å | |
| CA | N | sing | 1.40Å | 1.41Å | |
| CA | N1 | sing | 1.40Å | 1.37Å | |
| CB | CA | doub | 1.33Å | 1.34Å | |
| CB | SG | sing | 1.76Å | 1.66Å | |
| C | N1 | sing | 1.35Å | 1.34Å | |
| C | C94 | sing | 1.51Å | 1.49Å | |
| O | C | doub | 1.21Å | 1.28Å | |
| C90 | C95 | sing | 1.53Å | 1.56Å | |
| C91 | C90 | sing | 1.53Å | 1.53Å | |
| C91 | C92 | sing | 1.53Å | 1.60Å | |
| C92 | C93 | sing | 1.53Å | 1.55Å | |
| C93 | C94 | sing | 1.53Å | 1.58Å | |
| C95 | C94 | sing | 1.53Å | 1.50Å | |
| C96 | C91 | sing | 1.51Å | 1.53Å | |
| C96 | O98 | sing | 1.34Å | 1.26Å | |
| O97 | C96 | doub | 1.21Å | 1.16Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| CB | HB | sing | 1.08Å | 1.08Å | |
| SG | HSG | sing | 1.35Å | 1.30Å | |
| C90 | H90 | sing | 1.09Å | 1.10Å | |
| C90 | H90A | sing | 1.09Å | 1.10Å | |
| C91 | H91 | sing | 1.09Å | 1.10Å | |
| C92 | H92 | sing | 1.09Å | 1.10Å | |
| C92 | H92A | sing | 1.09Å | 1.10Å | |
| C93 | H93 | sing | 1.09Å | 1.10Å | |
| C93 | H93A | sing | 1.09Å | 1.10Å | |
| C94 | H94 | sing | 1.09Å | 1.10Å | |
| C95 | H95 | sing | 1.09Å | 1.10Å | |
| C95 | H95A | sing | 1.09Å | 1.10Å | |
| O98 | HO98 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| H | N | CA | 109.5° | 120.0° |
| H | N | H2 | 109.5° | 120.1° |
| N | CA | N1 | 117.7° | 120.0° |
| N | CA | CB | 115.2° | 120.0° |
| CA | N | H2 | 109.4° | 119.9° |
| N1 | CA | CB | 127.1° | 120.0° |
| CA | N1 | C | 119.5° | 120.0° |
| CA | N1 | HN1 | 120.2° | 120.0° |
| CA | CB | SG | 111.0° | 120.0° |
| CA | CB | HB | 124.5° | 120.0° |
| SG | CB | HB | 124.5° | 120.0° |
| CB | SG | HSG | 102.0° | 103.0° |
| N1 | C | C94 | 110.9° | 120.0° |
| N1 | C | O | 126.9° | 120.0° |
| C | N1 | HN1 | 120.2° | 119.9° |
| C94 | C | O | 122.1° | 120.0° |
| C | C94 | C93 | 106.9° | 109.5° |
| C | C94 | C95 | 107.6° | 109.5° |
| C | C94 | H94 | 110.9° | 109.5° |
| C95 | C90 | C91 | 108.1° | 109.5° |
| C90 | C95 | C94 | 109.7° | 109.5° |
| C95 | C90 | H90 | 109.8° | 109.5° |
| C95 | C90 | H90A | 109.8° | 109.5° |
| C90 | C95 | H95 | 109.4° | 109.5° |
| C90 | C95 | H95A | 109.4° | 109.5° |
| C90 | C91 | C92 | 112.0° | 109.5° |
| C90 | C91 | C96 | 111.3° | 109.4° |
| C91 | C90 | H90 | 109.8° | 109.5° |
| C91 | C90 | H90A | 109.8° | 109.5° |
| C90 | C91 | H91 | 107.8° | 109.5° |
| C91 | C92 | C93 | 107.7° | 109.4° |
| C92 | C91 | C96 | 110.5° | 109.4° |
| C92 | C91 | H91 | 107.1° | 109.5° |
| C91 | C92 | H92 | 109.9° | 109.5° |
| C91 | C92 | H92A | 109.9° | 109.5° |
| C92 | C93 | C94 | 113.7° | 109.5° |
| C93 | C92 | H92 | 109.9° | 109.5° |
| C93 | C92 | H92A | 109.9° | 109.5° |
| C92 | C93 | H93 | 108.4° | 109.5° |
| C92 | C93 | H93A | 108.4° | 109.4° |
| C93 | C94 | C95 | 110.8° | 109.5° |
| C94 | C93 | H93 | 108.4° | 109.5° |
| C94 | C93 | H93A | 108.4° | 109.5° |
| C93 | C94 | H94 | 109.7° | 109.5° |
| C95 | C94 | H94 | 110.8° | 109.5° |
| C94 | C95 | H95 | 109.4° | 109.5° |
| C94 | C95 | H95A | 109.4° | 109.4° |
| C91 | C96 | O98 | 120.9° | 119.9° |
| C91 | C96 | O97 | 116.8° | 120.0° |
| C96 | C91 | H91 | 107.9° | 109.5° |
| O98 | C96 | O97 | 122.1° | 120.1° |
| C96 | O98 | HO98 | 109.5° | 117.0° |
| H90 | C90 | H90A | 109.5° | 109.5° |
| H92 | C92 | H92A | 109.5° | 109.5° |
| H93 | C93 | H93A | 109.5° | 109.4° |
| H95 | C95 | H95A | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| H | N | CA | H2 | 120.0° | 179.7° |
| H | N | CA | N1 | 180.0° | 4.7° |
| H | N | CA | CB | 1.9° | 175.3° |
| N | CA | N1 | CB | 177.8° | 180.0° |
| N | CA | CB | SG | 0.6° | 0.0° |
| N | CA | N1 | C | 178.7° | 6.4° |
| N | CA | N1 | HN1 | 1.3° | 173.6° |
| N | CA | CB | HB | 179.4° | 180.0° |
| N1 | CA | CB | SG | 177.3° | 180.0° |
| CA | N1 | C | HN1 | 180.0° | 180.0° |
| CA | N1 | C | C94 | 178.2° | 174.3° |
| CA | N1 | C | O | 1.5° | 5.7° |
| N1 | CA | N | H2 | 60.0° | 175.0° |
| N1 | CA | CB | HB | 2.7° | 0.0° |
| CA | CB | SG | HB | 180.0° | 180.0° |
| CB | CA | N1 | C | 3.5° | 173.6° |
| CB | CA | N | H2 | 118.1° | 5.0° |
| CB | CA | N1 | HN1 | 176.5° | 6.4° |
| CA | CB | SG | HSG | 180.0° | 180.0° |
| N1 | C | C94 | O | 176.9° | 180.0° |
| N1 | C | C94 | C93 | 64.0° | 180.0° |
| N1 | C | C94 | C95 | 176.9° | 60.0° |
| N1 | C | C94 | H94 | 55.6° | 60.0° |
| C | C94 | C95 | C90 | 175.7° | 180.0° |
| C | C94 | C93 | C92 | 171.9° | 180.0° |
| C | C94 | C93 | C95 | 117.0° | 120.0° |
| C | C94 | C93 | H94 | 120.3° | 120.0° |
| C | C94 | C95 | H94 | 121.4° | 120.0° |
| C94 | C | N1 | HN1 | 1.8° | 5.7° |
| C | C94 | C93 | H93 | 67.5° | 60.0° |
| C | C94 | C93 | H93A | 51.2° | 60.0° |
| C | C94 | C95 | H95 | 55.7° | 60.0° |
| C | C94 | C95 | H95A | 64.3° | 60.0° |
| O | C | C94 | C93 | 112.9° | 0.0° |
| O | C | C94 | C95 | 6.2° | 120.0° |
| O | C | N1 | HN1 | 178.4° | 174.3° |
| O | C | C94 | H94 | 127.6° | 120.0° |
| C95 | C90 | C91 | H90 | 119.8° | 120.0° |
| C95 | C90 | C91 | H90A | 119.8° | 120.0° |
| C95 | C90 | C91 | C92 | 62.0° | 60.1° |
| C90 | C95 | C94 | C93 | 59.1° | 60.0° |
| C90 | C95 | C94 | H95 | 120.0° | 120.0° |
| C90 | C95 | C94 | H95A | 120.0° | 120.0° |
| C95 | C90 | C91 | C96 | 173.7° | 180.0° |
| C95 | C90 | H90 | H90A | 120.6° | 120.0° |
| C95 | C90 | C91 | H91 | 55.6° | 60.0° |
| C90 | C95 | C94 | H94 | 62.9° | 60.0° |
| C90 | C95 | H95 | H95A | 119.9° | 120.1° |
| C90 | C91 | C92 | C96 | 124.7° | 119.9° |
| C90 | C91 | C92 | H91 | 118.0° | 120.0° |
| C90 | C91 | C92 | C93 | 55.6° | 60.0° |
| C91 | C90 | C95 | C94 | 63.4° | 60.0° |
| C90 | C91 | C96 | H91 | 118.1° | 120.0° |
| C90 | C91 | C96 | O98 | 118.8° | 180.0° |
| C90 | C91 | C96 | O97 | 57.2° | 0.0° |
| C91 | C90 | H90 | H90A | 120.6° | 120.0° |
| C90 | C91 | C92 | H92 | 64.1° | 59.9° |
| C90 | C91 | C92 | H92A | 175.3° | 180.0° |
| C91 | C90 | C95 | H95 | 56.6° | 60.0° |
| C91 | C90 | C95 | H95A | 176.5° | 180.0° |
| C91 | C92 | C93 | H92 | 119.7° | 120.0° |
| C91 | C92 | C93 | H92A | 119.7° | 120.0° |
| C91 | C92 | C93 | C94 | 50.6° | 60.0° |
| C92 | C91 | C96 | H91 | 116.8° | 120.1° |
| C92 | C91 | C96 | O98 | 6.3° | 60.0° |
| C92 | C91 | C96 | O97 | 177.8° | 120.0° |
| C92 | C91 | C90 | H90 | 57.8° | 180.0° |
| C92 | C91 | C90 | H90A | 178.2° | 59.9° |
| C91 | C92 | H92 | H92A | 120.9° | 120.0° |
| C91 | C92 | C93 | H93 | 171.2° | 180.0° |
| C91 | C92 | C93 | H93A | 70.1° | 60.0° |
| C92 | C93 | C94 | H93 | 120.6° | 120.0° |
| C92 | C93 | C94 | H93A | 120.6° | 120.0° |
| C92 | C93 | C94 | C95 | 54.8° | 60.0° |
| C93 | C92 | C91 | C96 | 179.7° | 179.9° |
| C93 | C92 | C91 | H91 | 62.4° | 60.0° |
| C93 | C92 | H92 | H92A | 120.8° | 120.0° |
| C92 | C93 | H93 | H93A | 118.1° | 119.9° |
| C92 | C93 | C94 | H94 | 67.8° | 60.0° |
| C93 | C94 | C95 | H94 | 122.0° | 120.0° |
| C94 | C93 | C92 | H92 | 69.2° | 60.0° |
| C94 | C93 | C92 | H92A | 170.3° | 180.0° |
| C94 | C93 | H93 | H93A | 118.1° | 120.0° |
| C93 | C94 | C95 | H95 | 60.9° | 60.0° |
| C93 | C94 | C95 | H95A | 179.1° | 180.0° |
| C94 | C95 | C90 | H90 | 56.4° | 180.0° |
| C94 | C95 | C90 | H90A | 176.8° | 60.0° |
| C95 | C94 | C93 | H93 | 175.4° | 180.0° |
| C95 | C94 | C93 | H93A | 65.8° | 60.0° |
| C94 | C95 | H95 | H95A | 119.9° | 119.9° |
| C91 | C96 | O98 | O97 | 175.7° | 180.0° |
| C96 | C91 | C90 | H90 | 66.4° | 60.0° |
| C96 | C91 | C90 | H90A | 54.0° | 60.0° |
| C96 | C91 | C92 | H92 | 60.6° | 60.0° |
| C96 | C91 | C92 | H92A | 60.0° | 60.1° |
| C91 | C96 | O98 | HO98 | 175.7° | 179.9° |
| O98 | C96 | C91 | H91 | 123.1° | 60.0° |
| O97 | C96 | C91 | H91 | 60.9° | 119.9° |
| O97 | C96 | O98 | HO98 | 0.0° | 0.0° |
| HB | CB | SG | HSG | 0.0° | 0.0° |
| H90 | C90 | C91 | H91 | 175.4° | 60.0° |
| H90 | C90 | C95 | H95 | 176.4° | 60.0° |
| H90 | C90 | C95 | H95A | 63.7° | 60.0° |
| H90A | C90 | C91 | H91 | 64.2° | 180.0° |
| H90A | C90 | C95 | H95 | 63.2° | 180.0° |
| H90A | C90 | C95 | H95A | 56.7° | 60.0° |
| H91 | C91 | C92 | H92 | 177.8° | 180.0° |
| H91 | C91 | C92 | H92A | 57.3° | 60.0° |
| H92 | C92 | C93 | H93 | 51.4° | 60.1° |
| H92 | C92 | C93 | H93A | 170.2° | 180.0° |
| H92A | C92 | C93 | H93 | 69.1° | 60.0° |
| H92A | C92 | C93 | H93A | 49.7° | 60.0° |
| H93 | C93 | C94 | H94 | 52.8° | 60.0° |
| H93A | C93 | C94 | H94 | 171.5° | 180.0° |
| H94 | C94 | C95 | H95 | 177.1° | 179.9° |
| H94 | C94 | C95 | H95A | 57.1° | 60.0° |
