TFR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N | sing | 1.35Å | 1.34Å | |
| CA | N | sing | 1.47Å | 1.34Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| O | CZ1 | doub | 1.21Å | 1.25Å | |
| O1 | C1 | doub | 1.21Å | 1.22Å | |
| C1 | CA1 | sing | 1.51Å | 1.51Å | |
| CC | CA | sing | 1.53Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.50Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CB | HBB | sing | 1.09Å | 1.10Å | |
| CD | CC | sing | 1.53Å | 1.53Å | |
| CC | OB1 | sing | 1.43Å | 1.44Å | |
| CC | HC | sing | 1.09Å | 1.10Å | |
| FF | CD | sing | 1.40Å | 1.33Å | |
| FE | CD | sing | 1.40Å | 1.33Å | |
| CD | FG | sing | 1.40Å | 1.32Å | |
| CA1 | CB1 | sing | 1.53Å | 1.52Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| CA1 | HA1A | sing | 1.09Å | 1.10Å | |
| CB1 | CG1 | sing | 1.53Å | 1.53Å | |
| CB1 | HB1 | sing | 1.09Å | 1.10Å | |
| CB1 | HB1A | sing | 1.09Å | 1.10Å | |
| OB1 | HOB1 | sing | 0.97Å | 0.95Å | |
| CG1 | CD1 | sing | 1.53Å | 1.53Å | |
| CD1 | CE1 | sing | 1.53Å | 1.53Å | |
| CD1 | HD1 | sing | 1.09Å | 1.10Å | |
| CD1 | HD1A | sing | 1.09Å | 1.10Å | |
| CE1 | CZ1 | sing | 1.51Å | 1.50Å | |
| CE1 | NZ1 | sing | 1.47Å | 1.46Å | |
| CE1 | HE1 | sing | 1.09Å | 1.10Å | |
| CG1 | HG1 | sing | 1.09Å | 1.10Å | |
| CG1 | HG1A | sing | 1.09Å | 1.10Å | |
| CZ1 | OH1 | sing | 1.34Å | 1.25Å | |
| OH1 | HOH1 | sing | 0.97Å | 0.95Å | |
| NZ1 | HNZ1 | sing | 1.01Å | 1.00Å | |
| NZ1 | HNZA | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N | CA | 122.0° | 119.9° |
| C1 | N | HN | 119.0° | 120.0° |
| N | C1 | O1 | 123.3° | 120.0° |
| N | C1 | CA1 | 116.8° | 120.0° |
| CA | N | HN | 119.0° | 120.0° |
| N | CA | CC | 112.7° | 109.4° |
| N | CA | CB | 108.6° | 109.5° |
| N | CA | HA | 109.2° | 109.5° |
| O | CZ1 | CE1 | 117.8° | 120.0° |
| O | CZ1 | OH1 | 123.0° | 120.0° |
| O1 | C1 | CA1 | 119.9° | 120.0° |
| C1 | CA1 | CB1 | 108.0° | 109.5° |
| C1 | CA1 | HA1 | 109.8° | 109.4° |
| C1 | CA1 | HA1A | 109.9° | 109.5° |
| CC | CA | CB | 112.3° | 109.4° |
| CC | CA | HA | 106.9° | 109.5° |
| CA | CC | CD | 110.7° | 109.5° |
| CA | CC | OB1 | 110.2° | 109.5° |
| CA | CC | HC | 108.6° | 109.4° |
| CB | CA | HA | 107.0° | 109.5° |
| CA | CB | HB | 109.5° | 109.5° |
| CA | CB | HBA | 109.5° | 109.5° |
| CA | CB | HBB | 109.5° | 109.5° |
| HB | CB | HBA | 109.5° | 109.4° |
| HB | CB | HBB | 109.5° | 109.5° |
| HBA | CB | HBB | 109.5° | 109.4° |
| CD | CC | OB1 | 109.0° | 109.5° |
| CD | CC | HC | 108.5° | 109.5° |
| CC | CD | FF | 108.4° | 109.5° |
| CC | CD | FE | 110.9° | 109.4° |
| CC | CD | FG | 109.0° | 109.5° |
| OB1 | CC | HC | 109.7° | 109.5° |
| CC | OB1 | HOB1 | 109.5° | 114.0° |
| FF | CD | FE | 109.8° | 109.5° |
| FF | CD | FG | 110.7° | 109.4° |
| FE | CD | FG | 108.1° | 109.5° |
| CB1 | CA1 | HA1 | 109.8° | 109.5° |
| CB1 | CA1 | HA1A | 109.8° | 109.5° |
| CA1 | CB1 | CG1 | 113.7° | 109.4° |
| CA1 | CB1 | HB1 | 108.4° | 109.4° |
| CA1 | CB1 | HB1A | 108.4° | 109.5° |
| HA1 | CA1 | HA1A | 109.5° | 109.5° |
| CG1 | CB1 | HB1 | 108.4° | 109.4° |
| CG1 | CB1 | HB1A | 108.4° | 109.5° |
| CB1 | CG1 | CD1 | 110.0° | 109.4° |
| CB1 | CG1 | HG1 | 109.4° | 109.4° |
| CB1 | CG1 | HG1A | 109.4° | 109.5° |
| HB1 | CB1 | HB1A | 109.5° | 109.5° |
| CG1 | CD1 | CE1 | 112.4° | 109.5° |
| CG1 | CD1 | HD1 | 108.7° | 109.5° |
| CG1 | CD1 | HD1A | 108.7° | 109.4° |
| CD1 | CG1 | HG1 | 109.3° | 109.5° |
| CD1 | CG1 | HG1A | 109.3° | 109.5° |
| CE1 | CD1 | HD1 | 108.8° | 109.5° |
| CE1 | CD1 | HD1A | 108.7° | 109.5° |
| CD1 | CE1 | CZ1 | 109.9° | 109.5° |
| CD1 | CE1 | NZ1 | 109.6° | 109.5° |
| CD1 | CE1 | HE1 | 108.8° | 109.5° |
| HD1 | CD1 | HD1A | 109.5° | 109.5° |
| CZ1 | CE1 | NZ1 | 109.6° | 109.5° |
| CZ1 | CE1 | HE1 | 109.1° | 109.5° |
| CE1 | CZ1 | OH1 | 119.2° | 120.0° |
| NZ1 | CE1 | HE1 | 109.8° | 109.4° |
| CE1 | NZ1 | HNZ1 | 109.5° | 111.0° |
| CE1 | NZ1 | HNZA | 109.5° | 110.9° |
| HG1 | CG1 | HG1A | 109.5° | 109.5° |
| CZ1 | OH1 | HOH1 | 109.5° | 117.0° |
| HNZ1 | NZ1 | HNZA | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N | CA | HN | 180.0° | 179.7° |
| N | C1 | O1 | CA1 | 179.9° | 179.9° |
| C1 | N | CA | CC | 122.2° | 154.8° |
| C1 | N | CA | CB | 112.7° | 85.3° |
| C1 | N | CA | HA | 3.6° | 34.8° |
| N | C1 | CA1 | CB1 | 67.1° | 180.0° |
| N | C1 | CA1 | HA1 | 52.7° | 60.1° |
| N | C1 | CA1 | HA1A | 173.1° | 59.9° |
| CA | N | C1 | O1 | 0.1° | 0.2° |
| CA | N | C1 | CA1 | 179.8° | 179.7° |
| N | CA | CC | CB | 123.0° | 120.0° |
| N | CA | CC | HA | 119.9° | 120.0° |
| N | CA | CB | HA | 117.7° | 120.1° |
| N | CA | CB | HB | 180.0° | 59.9° |
| N | CA | CB | HBA | 60.0° | 60.1° |
| N | CA | CB | HBB | 60.0° | 180.0° |
| N | CA | CC | CD | 65.8° | 55.0° |
| N | CA | CC | OB1 | 54.9° | 65.0° |
| N | CA | CC | HC | 175.2° | 175.0° |
| HN | N | C1 | O1 | 179.9° | 179.9° |
| HN | N | C1 | CA1 | 0.2° | 0.1° |
| HN | N | CA | CC | 57.8° | 25.0° |
| HN | N | CA | CB | 67.3° | 95.0° |
| HN | N | CA | HA | 176.4° | 144.9° |
| O | CZ1 | CE1 | CD1 | 99.2° | 100.0° |
| O | CZ1 | CE1 | OH1 | 179.4° | 180.0° |
| O | CZ1 | CE1 | NZ1 | 140.4° | 20.0° |
| O | CZ1 | CE1 | HE1 | 20.1° | 140.0° |
| O | CZ1 | OH1 | HOH1 | 0.0° | 0.0° |
| O1 | C1 | CA1 | CB1 | 112.9° | 0.1° |
| O1 | C1 | CA1 | HA1 | 127.4° | 120.0° |
| O1 | C1 | CA1 | HA1A | 6.9° | 119.9° |
| C1 | CA1 | CB1 | HA1 | 119.7° | 119.9° |
| C1 | CA1 | CB1 | HA1A | 119.8° | 120.0° |
| C1 | CA1 | HA1 | HA1A | 120.7° | 120.0° |
| C1 | CA1 | CB1 | CG1 | 171.2° | 180.0° |
| C1 | CA1 | CB1 | HB1 | 50.6° | 60.1° |
| C1 | CA1 | CB1 | HB1A | 68.1° | 59.9° |
| CC | CA | CB | HA | 117.0° | 120.0° |
| CC | CA | CB | HB | 54.7° | 60.0° |
| CC | CA | CB | HBA | 65.4° | 180.0° |
| CC | CA | CB | HBB | 174.7° | 60.0° |
| CA | CC | CD | OB1 | 121.4° | 120.0° |
| CA | CC | CD | HC | 119.1° | 120.0° |
| CA | CC | OB1 | HC | 119.6° | 120.0° |
| CA | CC | CD | FF | 54.2° | 60.0° |
| CA | CC | CD | FE | 174.9° | 180.0° |
| CA | CC | CD | FG | 66.2° | 60.0° |
| CA | CC | OB1 | HOB1 | 180.0° | 60.1° |
| CA | CB | HB | HBA | 120.0° | 120.0° |
| CA | CB | HB | HBB | 120.0° | 120.1° |
| CA | CB | HBA | HBB | 120.0° | 120.0° |
| CB | CA | CC | CD | 171.2° | 175.0° |
| CB | CA | CC | OB1 | 68.1° | 55.0° |
| CB | CA | CC | HC | 52.1° | 65.0° |
| HA | CA | CB | HB | 62.3° | 180.0° |
| HA | CA | CB | HBA | 177.7° | 60.0° |
| HA | CA | CB | HBB | 57.7° | 60.0° |
| HA | CA | CC | CD | 54.1° | 65.0° |
| HA | CA | CC | OB1 | 174.8° | 175.0° |
| HA | CA | CC | HC | 64.9° | 55.0° |
| HB | CB | HBA | HBB | 120.0° | 120.0° |
| CD | CC | OB1 | HC | 118.7° | 120.0° |
| CC | CD | FF | FE | 121.3° | 120.0° |
| CC | CD | FF | FG | 119.4° | 120.0° |
| CC | CD | FE | FG | 119.4° | 120.0° |
| CD | CC | OB1 | HOB1 | 58.3° | 59.9° |
| OB1 | CC | CD | FF | 175.7° | 179.9° |
| OB1 | CC | CD | FE | 63.7° | 60.0° |
| OB1 | CC | CD | FG | 55.2° | 60.0° |
| HC | CC | CD | FF | 64.9° | 60.0° |
| HC | CC | CD | FE | 55.7° | 60.0° |
| HC | CC | CD | FG | 174.6° | 180.0° |
| HC | CC | OB1 | HOB1 | 60.4° | 180.0° |
| FF | CD | FE | FG | 120.8° | 120.0° |
| CB1 | CA1 | HA1 | HA1A | 120.7° | 120.1° |
| CA1 | CB1 | CG1 | HB1 | 120.6° | 119.9° |
| CA1 | CB1 | CG1 | HB1A | 120.6° | 120.0° |
| CA1 | CB1 | HB1 | HB1A | 118.1° | 120.0° |
| CA1 | CB1 | CG1 | CD1 | 172.9° | 180.0° |
| CA1 | CB1 | CG1 | HG1 | 67.0° | 60.1° |
| CA1 | CB1 | CG1 | HG1A | 52.8° | 60.0° |
| HA1 | CA1 | CB1 | CG1 | 69.0° | 60.1° |
| HA1 | CA1 | CB1 | HB1 | 170.3° | 180.0° |
| HA1 | CA1 | CB1 | HB1A | 51.6° | 60.0° |
| HA1A | CA1 | CB1 | CG1 | 51.4° | 60.0° |
| HA1A | CA1 | CB1 | HB1 | 69.2° | 60.0° |
| HA1A | CA1 | CB1 | HB1A | 172.1° | 180.0° |
| CG1 | CB1 | HB1 | HB1A | 118.1° | 120.1° |
| CB1 | CG1 | CD1 | HG1 | 120.1° | 119.9° |
| CB1 | CG1 | CD1 | HG1A | 120.1° | 120.0° |
| CB1 | CG1 | CD1 | CE1 | 170.5° | 180.0° |
| CB1 | CG1 | CD1 | HD1 | 69.1° | 59.9° |
| CB1 | CG1 | CD1 | HD1A | 50.1° | 60.1° |
| CB1 | CG1 | HG1 | HG1A | 119.8° | 120.0° |
| HB1 | CB1 | CG1 | CD1 | 52.3° | 60.1° |
| HB1 | CB1 | CG1 | HG1 | 172.4° | 180.0° |
| HB1 | CB1 | CG1 | HG1A | 67.8° | 59.9° |
| HB1A | CB1 | CG1 | CD1 | 66.4° | 60.0° |
| HB1A | CB1 | CG1 | HG1 | 53.6° | 60.0° |
| HB1A | CB1 | CG1 | HG1A | 173.5° | 180.0° |
| CG1 | CD1 | CE1 | HD1 | 120.5° | 120.0° |
| CG1 | CD1 | CE1 | HD1A | 120.4° | 119.9° |
| CG1 | CD1 | HD1 | HD1A | 118.7° | 120.0° |
| CG1 | CD1 | CE1 | CZ1 | 91.9° | 175.0° |
| CG1 | CD1 | CE1 | NZ1 | 147.6° | 65.0° |
| CG1 | CD1 | CE1 | HE1 | 27.6° | 55.0° |
| CD1 | CG1 | HG1 | HG1A | 119.7° | 120.1° |
| CE1 | CD1 | HD1 | HD1A | 118.6° | 120.0° |
| CD1 | CE1 | CZ1 | NZ1 | 120.5° | 120.0° |
| CD1 | CE1 | CZ1 | HE1 | 119.2° | 120.0° |
| CD1 | CE1 | NZ1 | HE1 | 119.5° | 120.0° |
| CE1 | CD1 | CG1 | HG1 | 50.4° | 60.1° |
| CE1 | CD1 | CG1 | HG1A | 69.4° | 60.0° |
| CD1 | CE1 | CZ1 | OH1 | 81.4° | 80.0° |
| CD1 | CE1 | NZ1 | HNZ1 | 180.0° | 60.0° |
| CD1 | CE1 | NZ1 | HNZA | 60.0° | 176.0° |
| HD1 | CD1 | CE1 | CZ1 | 147.7° | 55.0° |
| HD1 | CD1 | CE1 | NZ1 | 27.2° | 175.0° |
| HD1 | CD1 | CE1 | HE1 | 92.9° | 65.0° |
| HD1 | CD1 | CG1 | HG1 | 170.8° | 60.0° |
| HD1 | CD1 | CG1 | HG1A | 51.0° | 180.0° |
| HD1A | CD1 | CE1 | CZ1 | 28.6° | 65.0° |
| HD1A | CD1 | CE1 | NZ1 | 91.9° | 55.0° |
| HD1A | CD1 | CE1 | HE1 | 148.0° | 174.9° |
| HD1A | CD1 | CG1 | HG1 | 70.0° | 180.0° |
| HD1A | CD1 | CG1 | HG1A | 170.2° | 60.0° |
| CZ1 | CE1 | NZ1 | HE1 | 119.9° | 120.1° |
| CE1 | CZ1 | OH1 | HOH1 | 179.4° | 180.0° |
| CZ1 | CE1 | NZ1 | HNZ1 | 59.3° | 60.0° |
| CZ1 | CE1 | NZ1 | HNZA | 179.3° | 64.0° |
| NZ1 | CE1 | CZ1 | OH1 | 39.1° | 160.0° |
| CE1 | NZ1 | HNZ1 | HNZA | 120.0° | 123.9° |
| HE1 | CE1 | CZ1 | OH1 | 159.4° | 40.0° |
| HE1 | CE1 | NZ1 | HNZ1 | 60.5° | 180.0° |
| HE1 | CE1 | NZ1 | HNZA | 59.5° | 56.1° |
