TR1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.51Å | |
| N | CM2 | sing | 1.47Å | 1.49Å | |
| N | HN | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C | N2 | sing | 1.35Å | 1.34Å | |
| C41 | C42 | doub | 1.39Å | 1.40Å | Aromatic |
| C41 | C43 | sing | 1.39Å | 1.40Å | Aromatic |
| C41 | C52 | sing | 1.48Å | 1.40Å | Aromatic |
| C42 | C44 | sing | 1.38Å | 1.39Å | Aromatic |
| C42 | H42 | sing | 1.08Å | 1.10Å | |
| C43 | C45 | doub | 1.38Å | 1.40Å | Aromatic |
| C43 | H43 | sing | 1.08Å | 1.10Å | |
| C44 | C46 | doub | 1.38Å | 1.40Å | Aromatic |
| C44 | H44 | sing | 1.08Å | 1.10Å | |
| C45 | C46 | sing | 1.38Å | 1.39Å | Aromatic |
| C45 | H45 | sing | 1.08Å | 1.10Å | |
| C46 | H46 | sing | 1.08Å | 1.10Å | |
| C47 | C48 | doub | 1.38Å | 1.41Å | Aromatic |
| C47 | C49 | sing | 1.38Å | 1.39Å | Aromatic |
| C47 | CM2 | sing | 1.51Å | 1.53Å | |
| C48 | C50 | sing | 1.38Å | 1.39Å | Aromatic |
| C48 | H48 | sing | 1.08Å | 1.10Å | |
| C49 | C51 | doub | 1.38Å | 1.40Å | Aromatic |
| C49 | H49 | sing | 1.08Å | 1.10Å | |
| C50 | C52 | doub | 1.39Å | 1.40Å | Aromatic |
| C50 | H50 | sing | 1.08Å | 1.10Å | |
| C51 | C52 | sing | 1.39Å | 1.40Å | Aromatic |
| C51 | H51 | sing | 1.08Å | 1.10Å | |
| CM2 | HM21 | sing | 1.09Å | 1.12Å | |
| CM2 | HM22 | sing | 1.09Å | 1.12Å | |
| CB | SG | sing | 1.81Å | 1.84Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| SG | HSG | sing | 1.34Å | 0.95Å | |
| N2 | CA2 | sing | 1.46Å | 1.47Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| CA2 | C2 | sing | 1.51Å | 1.51Å | |
| CA2 | HA21 | sing | 1.09Å | 1.11Å | |
| CA2 | HA22 | sing | 1.09Å | 1.11Å | |
| C2 | O2 | doub | 1.21Å | 1.22Å | |
| C2 | N3 | sing | 1.35Å | 1.35Å | |
| N3 | CA3 | sing | 1.46Å | 1.46Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| CA3 | CB3 | sing | 1.53Å | 1.57Å | |
| CA3 | C3 | sing | 1.51Å | 1.51Å | |
| CA3 | HA3 | sing | 1.09Å | 1.11Å | |
| CB3 | CG1 | sing | 1.53Å | 1.56Å | |
| CB3 | CG2 | sing | 1.53Å | 1.56Å | |
| CB3 | HB3 | sing | 1.09Å | 1.11Å | |
| CG1 | HG11 | sing | 1.09Å | 1.11Å | |
| CG1 | HG12 | sing | 1.09Å | 1.11Å | |
| CG1 | HG13 | sing | 1.09Å | 1.11Å | |
| CG2 | HG21 | sing | 1.09Å | 1.12Å | |
| CG2 | HG22 | sing | 1.09Å | 1.11Å | |
| CG2 | HG23 | sing | 1.09Å | 1.11Å | |
| C3 | O3 | doub | 1.21Å | 1.22Å | |
| C3 | OE | sing | 1.34Å | 1.35Å | |
| OE | CM3 | sing | 1.45Å | 1.44Å | |
| CM3 | HM31 | sing | 1.09Å | 1.11Å | |
| CM3 | HM32 | sing | 1.09Å | 1.12Å | |
| CM3 | HM33 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | CM2 | 107.7° | 106.7° |
| CA | N | HN | 112.8° | 106.6° |
| N | CA | C | 110.0° | 109.5° |
| N | CA | CB | 109.0° | 109.5° |
| N | CA | HA | 109.3° | 109.4° |
| CM2 | N | HN | 112.9° | 106.7° |
| N | CM2 | C47 | 113.8° | 109.4° |
| N | CM2 | HM21 | 110.6° | 109.5° |
| N | CM2 | HM22 | 110.6° | 109.5° |
| C | CA | CB | 109.2° | 109.5° |
| C | CA | HA | 109.2° | 109.4° |
| CA | C | O | 120.6° | 120.0° |
| CA | C | N2 | 118.2° | 120.0° |
| CB | CA | HA | 110.2° | 109.5° |
| CA | CB | SG | 108.3° | 109.5° |
| CA | CB | HB1 | 112.6° | 109.5° |
| CA | CB | HB2 | 112.6° | 109.5° |
| O | C | N2 | 121.2° | 120.0° |
| C | N2 | CA2 | 120.8° | 120.1° |
| C | N2 | HN2 | 115.1° | 119.9° |
| C42 | C41 | C43 | 118.5° | 119.7° |
| C42 | C41 | C52 | 121.5° | 120.2° |
| C41 | C42 | C44 | 120.5° | 119.9° |
| C41 | C42 | H42 | 120.0° | 120.0° |
| C43 | C41 | C52 | 120.0° | 120.1° |
| C41 | C43 | C45 | 120.9° | 119.9° |
| C41 | C43 | H43 | 119.5° | 120.0° |
| C41 | C52 | C50 | 120.9° | 120.1° |
| C41 | C52 | C51 | 121.0° | 120.1° |
| C44 | C42 | H42 | 119.5° | 120.1° |
| C42 | C44 | C46 | 120.6° | 120.1° |
| C42 | C44 | H44 | 119.4° | 119.9° |
| C45 | C43 | H43 | 119.6° | 120.0° |
| C43 | C45 | C46 | 120.3° | 120.1° |
| C43 | C45 | H45 | 120.2° | 120.0° |
| C46 | C44 | H44 | 120.0° | 120.0° |
| C44 | C46 | C45 | 119.1° | 120.3° |
| C44 | C46 | H46 | 120.8° | 119.8° |
| C46 | C45 | H45 | 119.5° | 119.9° |
| C45 | C46 | H46 | 120.1° | 119.9° |
| C48 | C47 | C49 | 118.2° | 120.2° |
| C48 | C47 | CM2 | 119.9° | 120.0° |
| C47 | C48 | C50 | 120.3° | 120.2° |
| C47 | C48 | H48 | 120.5° | 119.9° |
| C49 | C47 | CM2 | 121.9° | 119.8° |
| C47 | C49 | C51 | 121.8° | 120.1° |
| C47 | C49 | H49 | 118.6° | 120.0° |
| C47 | CM2 | HM21 | 110.6° | 109.4° |
| C47 | CM2 | HM22 | 110.6° | 109.5° |
| C50 | C48 | H48 | 119.2° | 119.9° |
| C48 | C50 | C52 | 121.8° | 119.9° |
| C48 | C50 | H50 | 118.4° | 120.1° |
| C51 | C49 | H49 | 119.6° | 119.9° |
| C49 | C51 | C52 | 119.8° | 119.9° |
| C49 | C51 | H51 | 120.2° | 120.1° |
| C52 | C50 | H50 | 119.8° | 120.1° |
| C50 | C52 | C51 | 118.1° | 119.7° |
| C52 | C51 | H51 | 120.0° | 120.0° |
| HM21 | CM2 | HM22 | 99.7° | 109.5° |
| SG | CB | HB1 | 112.6° | 109.4° |
| SG | CB | HB2 | 112.6° | 109.4° |
| CB | SG | HSG | 108.4° | 100.1° |
| HB1 | CB | HB2 | 97.9° | 109.4° |
| CA2 | N2 | HN2 | 124.1° | 120.0° |
| N2 | CA2 | C2 | 109.2° | 109.6° |
| N2 | CA2 | HA21 | 112.3° | 109.5° |
| N2 | CA2 | HA22 | 112.3° | 109.4° |
| C2 | CA2 | HA21 | 112.3° | 109.5° |
| C2 | CA2 | HA22 | 112.3° | 109.4° |
| CA2 | C2 | O2 | 119.3° | 120.0° |
| CA2 | C2 | N3 | 119.0° | 120.1° |
| HA21 | CA2 | HA22 | 98.2° | 109.4° |
| O2 | C2 | N3 | 121.8° | 119.9° |
| C2 | N3 | CA3 | 121.1° | 120.0° |
| C2 | N3 | HN3 | 115.4° | 120.0° |
| CA3 | N3 | HN3 | 123.5° | 120.0° |
| N3 | CA3 | CB3 | 108.7° | 109.5° |
| N3 | CA3 | C3 | 111.2° | 109.5° |
| N3 | CA3 | HA3 | 110.8° | 109.5° |
| CB3 | CA3 | C3 | 114.7° | 109.4° |
| CB3 | CA3 | HA3 | 107.0° | 109.5° |
| CA3 | CB3 | CG1 | 111.1° | 109.5° |
| CA3 | CB3 | CG2 | 109.0° | 109.5° |
| CA3 | CB3 | HB3 | 109.5° | 109.5° |
| C3 | CA3 | HA3 | 104.4° | 109.4° |
| CA3 | C3 | O3 | 118.4° | 120.0° |
| CA3 | C3 | OE | 121.1° | 120.0° |
| CG1 | CB3 | CG2 | 111.9° | 109.5° |
| CG1 | CB3 | HB3 | 106.5° | 109.5° |
| CB3 | CG1 | HG11 | 111.1° | 109.5° |
| CB3 | CG1 | HG12 | 111.6° | 109.5° |
| CB3 | CG1 | HG13 | 111.6° | 109.5° |
| CG2 | CB3 | HB3 | 108.7° | 109.4° |
| CB3 | CG2 | HG21 | 109.0° | 109.5° |
| CB3 | CG2 | HG22 | 112.4° | 109.5° |
| CB3 | CG2 | HG23 | 112.4° | 109.5° |
| HG11 | CG1 | HG12 | 111.6° | 109.4° |
| HG11 | CG1 | HG13 | 111.6° | 109.4° |
| HG12 | CG1 | HG13 | 98.8° | 109.5° |
| HG21 | CG2 | HG22 | 112.4° | 109.5° |
| HG21 | CG2 | HG23 | 112.4° | 109.5° |
| HG22 | CG2 | HG23 | 98.0° | 109.4° |
| O3 | C3 | OE | 120.4° | 120.0° |
| C3 | OE | CM3 | 119.0° | 120.0° |
| OE | CM3 | HM31 | 119.0° | 109.5° |
| OE | CM3 | HM32 | 108.7° | 109.5° |
| OE | CM3 | HM33 | 108.8° | 109.5° |
| HM31 | CM3 | HM32 | 108.9° | 109.5° |
| HM31 | CM3 | HM33 | 108.8° | 109.5° |
| HM32 | CM3 | HM33 | 101.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | CM2 | HN | 125.2° | 113.7° |
| N | CA | C | CB | 119.5° | 120.1° |
| N | CA | C | HA | 120.0° | 119.9° |
| N | CA | CB | HA | 120.0° | 120.0° |
| N | CA | C | O | 150.4° | 0.1° |
| N | CA | C | N2 | 31.6° | 180.0° |
| CA | N | CM2 | C47 | 165.4° | 175.0° |
| CA | N | CM2 | HM21 | 69.3° | 55.0° |
| CA | N | CM2 | HM22 | 40.2° | 65.0° |
| N | CA | CB | SG | 63.2° | 65.1° |
| N | CA | CB | HB1 | 62.0° | 54.8° |
| N | CA | CB | HB2 | 171.6° | 174.8° |
| CM2 | N | CA | C | 96.1° | 84.9° |
| CM2 | N | CA | CB | 144.3° | 155.0° |
| CM2 | N | CA | HA | 23.8° | 35.0° |
| N | CM2 | C47 | C48 | 161.4° | 90.0° |
| N | CM2 | C47 | C49 | 19.0° | 90.4° |
| N | CM2 | C47 | HM21 | 125.2° | 120.0° |
| N | CM2 | C47 | HM22 | 125.3° | 120.0° |
| N | CM2 | HM21 | HM22 | 116.5° | 120.0° |
| HN | N | CA | C | 138.7° | 28.8° |
| HN | N | CA | CB | 19.1° | 91.2° |
| HN | N | CA | HA | 101.4° | 148.8° |
| HN | N | CM2 | C47 | 69.4° | 71.3° |
| HN | N | CM2 | HM21 | 55.9° | 168.7° |
| HN | N | CM2 | HM22 | 165.4° | 48.7° |
| C | CA | CB | HA | 119.9° | 120.0° |
| CA | C | O | N2 | 178.0° | 179.9° |
| C | CA | CB | SG | 176.7° | 174.8° |
| C | CA | CB | HB1 | 58.1° | 65.2° |
| C | CA | CB | HB2 | 51.5° | 54.8° |
| CA | C | N2 | CA2 | 177.8° | 180.0° |
| CA | C | N2 | HN2 | 2.2° | 0.0° |
| CB | CA | C | O | 90.1° | 120.0° |
| CB | CA | C | N2 | 87.9° | 59.9° |
| CA | CB | SG | HB1 | 125.2° | 120.0° |
| CA | CB | SG | HB2 | 125.2° | 120.0° |
| CA | CB | HB1 | HB2 | 118.6° | 120.0° |
| CA | CB | SG | HSG | 180.0° | 180.0° |
| HA | CA | C | O | 30.5° | 120.0° |
| HA | CA | C | N2 | 151.5° | 60.1° |
| HA | CA | CB | SG | 56.7° | 54.8° |
| HA | CA | CB | HB1 | 178.0° | 174.8° |
| HA | CA | CB | HB2 | 68.5° | 65.2° |
| O | C | N2 | CA2 | 0.2° | 0.1° |
| O | C | N2 | HN2 | 179.8° | 179.9° |
| C | N2 | CA2 | HN2 | 180.0° | 180.0° |
| C | N2 | CA2 | C2 | 108.5° | 180.0° |
| C | N2 | CA2 | HA21 | 16.8° | 59.9° |
| C | N2 | CA2 | HA22 | 126.3° | 60.0° |
| C42 | C41 | C43 | C52 | 178.0° | 179.7° |
| C41 | C42 | C44 | H42 | 180.0° | 180.0° |
| C42 | C41 | C43 | C45 | 0.8° | 0.6° |
| C42 | C41 | C43 | H43 | 179.2° | 180.0° |
| C41 | C42 | C44 | C46 | 2.0° | 0.0° |
| C41 | C42 | C44 | H44 | 178.0° | 180.0° |
| C42 | C41 | C52 | C50 | 39.8° | 140.2° |
| C42 | C41 | C52 | C51 | 140.0° | 39.7° |
| C43 | C41 | C42 | C44 | 2.4° | 0.3° |
| C43 | C41 | C42 | H42 | 177.6° | 179.7° |
| C41 | C43 | C45 | H43 | 180.0° | 179.4° |
| C41 | C43 | C45 | C46 | 1.3° | 0.6° |
| C41 | C43 | C45 | H45 | 178.8° | 179.7° |
| C43 | C41 | C52 | C50 | 142.2° | 40.1° |
| C43 | C41 | C52 | C51 | 37.9° | 140.0° |
| C52 | C41 | C42 | C44 | 179.6° | 180.0° |
| C52 | C41 | C42 | H42 | 0.4° | 0.0° |
| C52 | C41 | C43 | C45 | 178.8° | 179.7° |
| C52 | C41 | C43 | H43 | 1.2° | 0.3° |
| C41 | C52 | C50 | C48 | 179.8° | 180.0° |
| C41 | C52 | C51 | C49 | 179.7° | 179.7° |
| C41 | C52 | C50 | C51 | 179.8° | 179.9° |
| C41 | C52 | C50 | H50 | 0.2° | 0.1° |
| C41 | C52 | C51 | H51 | 0.3° | 0.1° |
| C42 | C44 | C46 | H44 | 179.9° | 179.9° |
| C42 | C44 | C46 | C45 | 0.1° | 0.1° |
| C42 | C44 | C46 | H46 | 179.8° | 180.0° |
| H42 | C42 | C44 | C46 | 178.1° | 179.9° |
| H42 | C42 | C44 | H44 | 2.0° | 0.0° |
| C43 | C45 | C46 | C44 | 1.7° | 0.4° |
| C43 | C45 | C46 | H45 | 180.0° | 179.7° |
| C43 | C45 | C46 | H46 | 178.2° | 179.7° |
| H43 | C43 | C45 | C46 | 178.7° | 180.0° |
| H43 | C43 | C45 | H45 | 1.3° | 0.2° |
| C44 | C46 | C45 | H46 | 180.0° | 179.9° |
| C44 | C46 | C45 | H45 | 178.3° | 179.9° |
| H44 | C44 | C46 | C45 | 179.9° | 180.0° |
| H44 | C44 | C46 | H46 | 0.1° | 0.1° |
| H45 | C45 | C46 | H46 | 1.7° | 0.0° |
| C48 | C47 | C49 | CM2 | 179.6° | 179.6° |
| C47 | C48 | C50 | H48 | 180.0° | 179.9° |
| C48 | C47 | C49 | C51 | 0.5° | 0.6° |
| C48 | C47 | C49 | H49 | 179.5° | 180.0° |
| C47 | C48 | C50 | C52 | 0.3° | 0.0° |
| C47 | C48 | C50 | H50 | 179.7° | 179.9° |
| C48 | C47 | CM2 | HM21 | 36.2° | 30.0° |
| C48 | C47 | CM2 | HM22 | 73.3° | 150.0° |
| C49 | C47 | C48 | C50 | 0.5° | 0.3° |
| C49 | C47 | C48 | H48 | 179.4° | 179.7° |
| C47 | C49 | C51 | H49 | 180.0° | 179.4° |
| C47 | C49 | C51 | C52 | 0.2° | 0.5° |
| C47 | C49 | C51 | H51 | 179.9° | 179.6° |
| C49 | C47 | CM2 | HM21 | 144.3° | 149.7° |
| C49 | C47 | CM2 | HM22 | 106.3° | 29.7° |
| CM2 | C47 | C48 | C50 | 179.1° | 180.0° |
| CM2 | C47 | C48 | H48 | 1.0° | 0.1° |
| CM2 | C47 | C49 | C51 | 179.1° | 179.8° |
| CM2 | C47 | C49 | H49 | 0.9° | 0.4° |
| C47 | CM2 | HM21 | HM22 | 116.5° | 120.0° |
| C48 | C50 | C52 | H50 | 180.0° | 179.9° |
| C48 | C50 | C52 | C51 | 0.0° | 0.1° |
| H48 | C48 | C50 | C52 | 179.7° | 179.9° |
| H48 | C48 | C50 | H50 | 0.3° | 0.0° |
| C49 | C51 | C52 | C50 | 0.1° | 0.2° |
| C49 | C51 | C52 | H51 | 180.0° | 179.8° |
| H49 | C49 | C51 | C52 | 179.8° | 179.9° |
| H49 | C49 | C51 | H51 | 0.2° | 0.2° |
| C50 | C52 | C51 | H51 | 179.9° | 180.0° |
| H50 | C50 | C52 | C51 | 180.0° | 180.0° |
| SG | CB | HB1 | HB2 | 118.5° | 119.9° |
| HB1 | CB | SG | HSG | 54.8° | 60.0° |
| HB2 | CB | SG | HSG | 54.7° | 59.9° |
| N2 | CA2 | C2 | HA21 | 125.2° | 120.1° |
| N2 | CA2 | C2 | HA22 | 125.2° | 120.0° |
| N2 | CA2 | HA21 | HA22 | 118.2° | 119.9° |
| N2 | CA2 | C2 | O2 | 38.4° | 0.1° |
| N2 | CA2 | C2 | N3 | 142.0° | 180.0° |
| HN2 | N2 | CA2 | C2 | 71.5° | 0.0° |
| HN2 | N2 | CA2 | HA21 | 163.2° | 120.1° |
| HN2 | N2 | CA2 | HA22 | 53.7° | 120.0° |
| C2 | CA2 | HA21 | HA22 | 118.3° | 119.9° |
| CA2 | C2 | O2 | N3 | 179.5° | 179.9° |
| CA2 | C2 | N3 | CA3 | 178.6° | 180.0° |
| CA2 | C2 | N3 | HN3 | 1.3° | 0.1° |
| HA21 | CA2 | C2 | O2 | 163.7° | 120.0° |
| HA21 | CA2 | C2 | N3 | 16.8° | 59.9° |
| HA22 | CA2 | C2 | O2 | 86.8° | 120.0° |
| HA22 | CA2 | C2 | N3 | 92.7° | 60.1° |
| O2 | C2 | N3 | CA3 | 1.8° | 0.1° |
| O2 | C2 | N3 | HN3 | 178.2° | 180.0° |
| C2 | N3 | CA3 | HN3 | 180.0° | 180.0° |
| C2 | N3 | CA3 | CB3 | 165.1° | 90.0° |
| C2 | N3 | CA3 | C3 | 67.8° | 150.0° |
| C2 | N3 | CA3 | HA3 | 47.8° | 30.1° |
| N3 | CA3 | CB3 | C3 | 125.1° | 120.0° |
| N3 | CA3 | CB3 | HA3 | 119.7° | 120.1° |
| N3 | CA3 | C3 | HA3 | 119.5° | 120.0° |
| N3 | CA3 | CB3 | CG1 | 78.0° | 60.0° |
| N3 | CA3 | CB3 | CG2 | 158.2° | 180.0° |
| N3 | CA3 | CB3 | HB3 | 39.4° | 60.0° |
| N3 | CA3 | C3 | O3 | 25.9° | 0.0° |
| N3 | CA3 | C3 | OE | 154.5° | 180.0° |
| HN3 | N3 | CA3 | CB3 | 14.9° | 90.0° |
| HN3 | N3 | CA3 | C3 | 112.2° | 30.0° |
| HN3 | N3 | CA3 | HA3 | 132.2° | 149.9° |
| CB3 | CA3 | C3 | HA3 | 116.7° | 120.0° |
| CA3 | CB3 | CG1 | CG2 | 122.1° | 120.0° |
| CA3 | CB3 | CG1 | HB3 | 119.2° | 120.0° |
| CA3 | CB3 | CG2 | HB3 | 119.3° | 120.0° |
| CA3 | CB3 | CG1 | HG11 | 180.0° | 180.0° |
| CA3 | CB3 | CG1 | HG12 | 54.7° | 60.0° |
| CA3 | CB3 | CG1 | HG13 | 54.7° | 60.0° |
| CA3 | CB3 | CG2 | HG21 | 180.0° | 60.0° |
| CA3 | CB3 | CG2 | HG22 | 54.7° | 60.1° |
| CA3 | CB3 | CG2 | HG23 | 54.7° | 180.0° |
| CB3 | CA3 | C3 | O3 | 98.0° | 120.0° |
| CB3 | CA3 | C3 | OE | 81.7° | 60.0° |
| C3 | CA3 | CB3 | CG1 | 47.1° | 60.0° |
| C3 | CA3 | CB3 | CG2 | 76.7° | 60.0° |
| C3 | CA3 | CB3 | HB3 | 164.5° | 179.9° |
| CA3 | C3 | O3 | OE | 179.7° | 180.0° |
| CA3 | C3 | OE | CM3 | 151.8° | 180.0° |
| HA3 | CA3 | CB3 | CG1 | 162.3° | 179.9° |
| HA3 | CA3 | CB3 | CG2 | 38.5° | 59.9° |
| HA3 | CA3 | CB3 | HB3 | 80.3° | 60.0° |
| HA3 | CA3 | C3 | O3 | 145.3° | 120.0° |
| HA3 | CA3 | C3 | OE | 35.0° | 60.0° |
| CG1 | CB3 | CG2 | HB3 | 117.4° | 120.0° |
| CB3 | CG1 | HG11 | HG12 | 125.2° | 120.0° |
| CB3 | CG1 | HG11 | HG13 | 125.3° | 120.0° |
| CB3 | CG1 | HG12 | HG13 | 117.5° | 120.0° |
| CG1 | CB3 | CG2 | HG21 | 56.7° | 60.0° |
| CG1 | CB3 | CG2 | HG22 | 68.6° | 179.9° |
| CG1 | CB3 | CG2 | HG23 | 178.1° | 60.0° |
| CG2 | CB3 | CG1 | HG11 | 57.9° | 60.0° |
| CG2 | CB3 | CG1 | HG12 | 176.8° | 180.0° |
| CG2 | CB3 | CG1 | HG13 | 67.4° | 60.0° |
| CB3 | CG2 | HG21 | HG22 | 125.3° | 120.0° |
| CB3 | CG2 | HG21 | HG23 | 125.2° | 120.0° |
| CB3 | CG2 | HG22 | HG23 | 118.3° | 119.9° |
| HB3 | CB3 | CG1 | HG11 | 60.8° | 60.0° |
| HB3 | CB3 | CG1 | HG12 | 64.5° | 60.0° |
| HB3 | CB3 | CG1 | HG13 | 173.9° | 180.0° |
| HB3 | CB3 | CG2 | HG21 | 60.7° | 180.0° |
| HB3 | CB3 | CG2 | HG22 | 174.0° | 59.9° |
| HB3 | CB3 | CG2 | HG23 | 64.6° | 60.0° |
| HG11 | CG1 | HG12 | HG13 | 117.5° | 119.9° |
| HG21 | CG2 | HG22 | HG23 | 118.3° | 120.0° |
| O3 | C3 | OE | CM3 | 27.9° | 0.0° |
| C3 | OE | CM3 | HM31 | 180.0° | 180.0° |
| C3 | OE | CM3 | HM32 | 54.7° | 60.1° |
| C3 | OE | CM3 | HM33 | 54.7° | 60.0° |
| OE | CM3 | HM31 | HM32 | 125.2° | 120.0° |
| OE | CM3 | HM31 | HM33 | 125.3° | 120.0° |
| OE | CM3 | HM32 | HM33 | 114.4° | 120.1° |
| HM31 | CM3 | HM32 | HM33 | 114.5° | 120.0° |
