CRF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | CA1 | sing | 1.47Å | 1.45Å | |
| N1 | H | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| CA1 | CB1 | sing | 1.53Å | 1.53Å | |
| CA1 | C1 | sing | 1.51Å | 1.49Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| CB1 | CG1 | sing | 1.53Å | 1.51Å | |
| CB1 | OG1 | sing | 1.43Å | 1.40Å | |
| CB1 | HB1 | sing | 1.09Å | 1.10Å | |
| CG1 | HG11 | sing | 1.09Å | 1.10Å | |
| CG1 | HG12 | sing | 1.09Å | 1.10Å | |
| CG1 | HG13 | sing | 1.09Å | 1.10Å | |
| OG1 | HOG | sing | 0.97Å | 0.95Å | |
| C1 | N2 | doub | 1.30Å | 1.34Å | |
| C1 | N3 | sing | 1.37Å | 1.41Å | |
| N2 | CA2 | sing | 1.37Å | 1.41Å | |
| N3 | C2 | sing | 1.35Å | 1.41Å | |
| N3 | CA3 | sing | 1.47Å | 1.41Å | |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| C2 | CA2 | sing | 1.47Å | 1.48Å | |
| CA2 | CB2 | doub | 1.38Å | 1.36Å | |
| CA3 | C3 | sing | 1.51Å | 1.51Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| C3 | O3 | doub | 1.21Å | 1.23Å | |
| C3 | OXT | sing | 1.34Å | 1.43Å | |
| CB2 | CG2 | sing | 1.41Å | 1.37Å | |
| CB2 | HB2 | sing | 1.08Å | 1.08Å | |
| CG2 | CD1 | doub | 1.38Å | 1.36Å | Aromatic |
| CG2 | CD2 | sing | 1.48Å | 1.43Å | Aromatic |
| CD1 | NE1 | sing | 1.35Å | 1.37Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE2 | doub | 1.40Å | 1.39Å | Aromatic |
| CD2 | CE3 | sing | 1.39Å | 1.41Å | Aromatic |
| CE2 | NE1 | sing | 1.38Å | 1.38Å | Aromatic |
| CE2 | CZ2 | sing | 1.39Å | 1.38Å | Aromatic |
| NE1 | HE1 | sing | 0.97Å | 1.00Å | |
| CE3 | CZ3 | doub | 1.38Å | 1.38Å | Aromatic |
| CE3 | HE3 | sing | 1.08Å | 1.08Å | |
| CZ2 | CH2 | doub | 1.38Å | 1.39Å | Aromatic |
| CZ2 | HZ2 | sing | 1.08Å | 1.08Å | |
| CZ3 | CH2 | sing | 1.39Å | 1.37Å | Aromatic |
| CZ3 | HZ3 | sing | 1.08Å | 1.08Å | |
| CH2 | HH2 | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA1 | N1 | H | 109.5° | 111.0° |
| CA1 | N1 | H2 | 109.5° | 111.0° |
| N1 | CA1 | CB1 | 109.7° | 109.5° |
| N1 | CA1 | C1 | 106.1° | 109.5° |
| N1 | CA1 | HA1 | 110.1° | 109.5° |
| H | N1 | H2 | 109.5° | 111.0° |
| CB1 | CA1 | C1 | 104.8° | 109.5° |
| CB1 | CA1 | HA1 | 111.3° | 109.5° |
| CA1 | CB1 | CG1 | 110.9° | 109.5° |
| CA1 | CB1 | OG1 | 106.8° | 109.5° |
| CA1 | CB1 | HB1 | 110.3° | 109.5° |
| C1 | CA1 | HA1 | 114.6° | 109.4° |
| CA1 | C1 | N2 | 125.0° | 124.4° |
| CA1 | C1 | N3 | 120.6° | 124.4° |
| CG1 | CB1 | OG1 | 109.7° | 109.5° |
| CG1 | CB1 | HB1 | 107.5° | 109.5° |
| CB1 | CG1 | HG11 | 109.5° | 109.4° |
| CB1 | CG1 | HG12 | 109.4° | 109.5° |
| CB1 | CG1 | HG13 | 109.5° | 109.5° |
| OG1 | CB1 | HB1 | 111.6° | 109.4° |
| CB1 | OG1 | HOG | 109.5° | 114.0° |
| HG11 | CG1 | HG12 | 109.5° | 109.4° |
| HG11 | CG1 | HG13 | 109.5° | 109.5° |
| HG12 | CG1 | HG13 | 109.5° | 109.5° |
| N2 | C1 | N3 | 114.3° | 111.2° |
| C1 | N2 | CA2 | 106.6° | 109.3° |
| C1 | N3 | C2 | 104.8° | 108.3° |
| C1 | N3 | CA3 | 126.1° | 125.8° |
| N2 | CA2 | C2 | 107.4° | 105.8° |
| N2 | CA2 | CB2 | 128.9° | 127.1° |
| C2 | N3 | CA3 | 125.7° | 125.9° |
| N3 | C2 | O2 | 123.2° | 127.4° |
| N3 | C2 | CA2 | 107.0° | 105.4° |
| N3 | CA3 | C3 | 109.3° | 109.5° |
| N3 | CA3 | HA31 | 109.5° | 109.4° |
| N3 | CA3 | HA32 | 109.5° | 109.4° |
| O2 | C2 | CA2 | 125.8° | 127.3° |
| C2 | CA2 | CB2 | 122.3° | 127.1° |
| CA2 | CB2 | CG2 | 121.5° | 120.0° |
| CA2 | CB2 | HB2 | 119.3° | 120.0° |
| C3 | CA3 | HA31 | 109.5° | 109.5° |
| C3 | CA3 | HA32 | 109.5° | 109.5° |
| CA3 | C3 | O3 | 121.2° | 120.0° |
| CA3 | C3 | OXT | 119.4° | 120.0° |
| HA31 | CA3 | HA32 | 109.4° | 109.5° |
| O3 | C3 | OXT | 119.4° | 120.0° |
| C3 | OXT | HXT | 109.5° | 117.1° |
| CG2 | CB2 | HB2 | 119.2° | 120.0° |
| CB2 | CG2 | CD1 | 127.3° | 126.9° |
| CB2 | CG2 | CD2 | 122.8° | 126.9° |
| CD1 | CG2 | CD2 | 106.6° | 106.2° |
| CG2 | CD1 | NE1 | 110.0° | 109.5° |
| CG2 | CD1 | HD1 | 125.0° | 125.3° |
| CG2 | CD2 | CE2 | 107.0° | 106.0° |
| CG2 | CD2 | CE3 | 133.4° | 133.8° |
| NE1 | CD1 | HD1 | 125.0° | 125.2° |
| CD1 | NE1 | CE2 | 108.3° | 110.6° |
| CD1 | NE1 | HE1 | 125.9° | 124.7° |
| CE2 | CD2 | CE3 | 119.5° | 120.2° |
| CD2 | CE2 | NE1 | 108.1° | 107.8° |
| CD2 | CE2 | CZ2 | 118.7° | 119.3° |
| CD2 | CE3 | CZ3 | 121.6° | 119.7° |
| CD2 | CE3 | HE3 | 119.2° | 120.2° |
| NE1 | CE2 | CZ2 | 133.2° | 132.9° |
| CE2 | NE1 | HE1 | 125.9° | 124.7° |
| CE2 | CZ2 | CH2 | 120.5° | 119.9° |
| CE2 | CZ2 | HZ2 | 119.8° | 120.0° |
| CZ3 | CE3 | HE3 | 119.2° | 120.2° |
| CE3 | CZ3 | CH2 | 117.5° | 120.3° |
| CE3 | CZ3 | HZ3 | 121.2° | 119.9° |
| CH2 | CZ2 | HZ2 | 119.8° | 120.0° |
| CZ2 | CH2 | CZ3 | 122.2° | 120.6° |
| CZ2 | CH2 | HH2 | 118.9° | 119.7° |
| CH2 | CZ3 | HZ3 | 121.3° | 119.8° |
| CZ3 | CH2 | HH2 | 118.9° | 119.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA1 | N1 | H | H2 | 120.0° | 124.0° |
| N1 | CA1 | CB1 | C1 | 113.6° | 120.0° |
| N1 | CA1 | CB1 | HA1 | 122.0° | 120.1° |
| N1 | CA1 | C1 | HA1 | 121.7° | 120.0° |
| N1 | CA1 | CB1 | CG1 | 73.1° | 55.0° |
| N1 | CA1 | CB1 | OG1 | 46.4° | 65.0° |
| N1 | CA1 | CB1 | HB1 | 167.8° | 175.0° |
| N1 | CA1 | C1 | N2 | 91.8° | 35.0° |
| N1 | CA1 | C1 | N3 | 93.3° | 144.7° |
| H | N1 | CA1 | CB1 | 180.0° | 176.1° |
| H | N1 | CA1 | C1 | 67.3° | 63.9° |
| H | N1 | CA1 | HA1 | 57.2° | 56.0° |
| H2 | N1 | CA1 | CB1 | 60.0° | 60.0° |
| H2 | N1 | CA1 | C1 | 52.8° | 60.0° |
| H2 | N1 | CA1 | HA1 | 177.3° | 180.0° |
| CB1 | CA1 | C1 | HA1 | 122.2° | 120.0° |
| CA1 | CB1 | CG1 | OG1 | 117.8° | 120.0° |
| CA1 | CB1 | CG1 | HB1 | 120.7° | 120.0° |
| CA1 | CB1 | OG1 | HB1 | 120.7° | 120.0° |
| CA1 | CB1 | CG1 | HG11 | 180.0° | 60.0° |
| CA1 | CB1 | CG1 | HG12 | 60.0° | 180.0° |
| CA1 | CB1 | CG1 | HG13 | 60.0° | 60.0° |
| CA1 | CB1 | OG1 | HOG | 180.0° | 59.9° |
| CB1 | CA1 | C1 | N2 | 24.3° | 85.0° |
| CB1 | CA1 | C1 | N3 | 150.6° | 95.3° |
| C1 | CA1 | CB1 | CG1 | 173.3° | 175.0° |
| C1 | CA1 | CB1 | OG1 | 67.2° | 55.0° |
| C1 | CA1 | CB1 | HB1 | 54.2° | 65.0° |
| CA1 | C1 | N2 | N3 | 175.2° | 179.7° |
| CA1 | C1 | N2 | CA2 | 174.6° | 180.0° |
| CA1 | C1 | N3 | C2 | 175.1° | 180.0° |
| CA1 | C1 | N3 | CA3 | 25.0° | 0.0° |
| HA1 | CA1 | CB1 | CG1 | 48.9° | 65.0° |
| HA1 | CA1 | CB1 | OG1 | 168.4° | 175.0° |
| HA1 | CA1 | CB1 | HB1 | 70.1° | 55.0° |
| HA1 | CA1 | C1 | N2 | 146.5° | 155.0° |
| HA1 | CA1 | C1 | N3 | 28.4° | 24.7° |
| CG1 | CB1 | OG1 | HB1 | 119.0° | 120.0° |
| CB1 | CG1 | HG11 | HG12 | 120.0° | 120.0° |
| CB1 | CG1 | HG11 | HG13 | 120.0° | 120.0° |
| CB1 | CG1 | HG12 | HG13 | 120.0° | 120.0° |
| CG1 | CB1 | OG1 | HOG | 59.7° | 60.1° |
| OG1 | CB1 | CG1 | HG11 | 62.2° | 60.0° |
| OG1 | CB1 | CG1 | HG12 | 177.8° | 59.9° |
| OG1 | CB1 | CG1 | HG13 | 57.8° | 180.0° |
| HB1 | CB1 | CG1 | HG11 | 59.3° | 180.0° |
| HB1 | CB1 | CG1 | HG12 | 60.7° | 60.0° |
| HB1 | CB1 | CG1 | HG13 | 179.3° | 60.0° |
| HB1 | CB1 | OG1 | HOG | 59.3° | 180.0° |
| HG11 | CG1 | HG12 | HG13 | 120.0° | 120.0° |
| N2 | C1 | N3 | C2 | 0.3° | 0.3° |
| N2 | C1 | N3 | CA3 | 159.6° | 179.7° |
| C1 | N2 | CA2 | C2 | 0.6° | 0.1° |
| C1 | N2 | CA2 | CB2 | 167.0° | 180.0° |
| N3 | C1 | N2 | CA2 | 0.6° | 0.3° |
| C1 | N3 | C2 | CA3 | 160.0° | 180.0° |
| C1 | N3 | C2 | O2 | 158.5° | 180.0° |
| C1 | N3 | C2 | CA2 | 0.1° | 0.2° |
| C1 | N3 | CA3 | C3 | 113.4° | 90.0° |
| C1 | N3 | CA3 | HA31 | 126.6° | 150.0° |
| C1 | N3 | CA3 | HA32 | 6.6° | 30.0° |
| N2 | CA2 | C2 | N3 | 0.4° | 0.0° |
| N2 | CA2 | C2 | O2 | 157.5° | 179.8° |
| N2 | CA2 | C2 | CB2 | 167.5° | 179.9° |
| N2 | CA2 | CB2 | CG2 | 34.6° | 0.0° |
| N2 | CA2 | CB2 | HB2 | 145.3° | 179.9° |
| N3 | C2 | O2 | CA2 | 154.5° | 179.7° |
| N3 | C2 | CA2 | CB2 | 168.0° | 179.8° |
| C2 | N3 | CA3 | C3 | 90.8° | 90.0° |
| C2 | N3 | CA3 | HA31 | 29.2° | 30.0° |
| C2 | N3 | CA3 | HA32 | 149.3° | 150.0° |
| CA3 | N3 | C2 | O2 | 1.5° | 0.0° |
| CA3 | N3 | C2 | CA2 | 160.1° | 179.8° |
| N3 | CA3 | C3 | HA31 | 120.0° | 120.0° |
| N3 | CA3 | C3 | HA32 | 120.0° | 120.0° |
| N3 | CA3 | HA31 | HA32 | 120.1° | 119.9° |
| N3 | CA3 | C3 | O3 | 146.9° | 0.1° |
| N3 | CA3 | C3 | OXT | 33.1° | 180.0° |
| O2 | C2 | CA2 | CB2 | 10.1° | 0.1° |
| C2 | CA2 | CB2 | CG2 | 160.7° | 179.8° |
| C2 | CA2 | CB2 | HB2 | 19.3° | 0.2° |
| CA2 | CB2 | CG2 | HB2 | 180.0° | 180.0° |
| CA2 | CB2 | CG2 | CD1 | 36.3° | 0.1° |
| CA2 | CB2 | CG2 | CD2 | 167.1° | 179.7° |
| C3 | CA3 | HA31 | HA32 | 120.1° | 120.1° |
| CA3 | C3 | O3 | OXT | 180.0° | 179.9° |
| CA3 | C3 | OXT | HXT | 180.0° | 180.0° |
| HA31 | CA3 | C3 | O3 | 26.9° | 120.0° |
| HA31 | CA3 | C3 | OXT | 153.1° | 60.1° |
| HA32 | CA3 | C3 | O3 | 93.1° | 119.9° |
| HA32 | CA3 | C3 | OXT | 86.9° | 60.0° |
| O3 | C3 | OXT | HXT | 0.0° | 0.1° |
| CB2 | CG2 | CD1 | CD2 | 159.6° | 179.7° |
| CB2 | CG2 | CD1 | NE1 | 159.2° | 179.9° |
| CB2 | CG2 | CD1 | HD1 | 20.9° | 0.2° |
| CB2 | CG2 | CD2 | CE2 | 159.3° | 179.9° |
| CB2 | CG2 | CD2 | CE3 | 18.2° | 0.0° |
| HB2 | CB2 | CG2 | CD1 | 143.7° | 180.0° |
| HB2 | CB2 | CG2 | CD2 | 12.9° | 0.3° |
| CG2 | CD1 | NE1 | HD1 | 180.0° | 179.9° |
| CD1 | CG2 | CD2 | CE2 | 1.4° | 0.2° |
| CD1 | CG2 | CD2 | CE3 | 178.9° | 179.6° |
| CG2 | CD1 | NE1 | CE2 | 0.7° | 0.1° |
| CG2 | CD1 | NE1 | HE1 | 179.3° | 179.9° |
| CD2 | CG2 | CD1 | NE1 | 0.4° | 0.2° |
| CD2 | CG2 | CD1 | HD1 | 179.6° | 179.8° |
| CG2 | CD2 | CE2 | CE3 | 177.9° | 179.9° |
| CG2 | CD2 | CE2 | NE1 | 1.9° | 0.2° |
| CG2 | CD2 | CE2 | CZ2 | 178.8° | 180.0° |
| CG2 | CD2 | CE3 | CZ3 | 178.3° | 180.0° |
| CG2 | CD2 | CE3 | HE3 | 1.7° | 0.1° |
| CD1 | NE1 | CE2 | CD2 | 1.6° | 0.0° |
| CD1 | NE1 | CE2 | HE1 | 180.0° | 179.9° |
| CD1 | NE1 | CE2 | CZ2 | 179.1° | 179.8° |
| HD1 | CD1 | NE1 | CE2 | 179.3° | 179.9° |
| HD1 | CD1 | NE1 | HE1 | 0.7° | 0.0° |
| CD2 | CE2 | NE1 | CZ2 | 179.2° | 179.8° |
| CD2 | CE2 | NE1 | HE1 | 178.4° | 179.9° |
| CE2 | CD2 | CE3 | CZ3 | 1.0° | 0.1° |
| CE2 | CD2 | CE3 | HE3 | 179.0° | 180.0° |
| CD2 | CE2 | CZ2 | CH2 | 0.2° | 0.0° |
| CD2 | CE2 | CZ2 | HZ2 | 179.9° | 180.0° |
| CE3 | CD2 | CE2 | NE1 | 179.8° | 179.7° |
| CE3 | CD2 | CE2 | CZ2 | 0.8° | 0.1° |
| CD2 | CE3 | CZ3 | HE3 | 180.0° | 179.9° |
| CD2 | CE3 | CZ3 | CH2 | 0.5° | 0.0° |
| CD2 | CE3 | CZ3 | HZ3 | 179.5° | 180.0° |
| NE1 | CE2 | CZ2 | CH2 | 179.3° | 179.8° |
| NE1 | CE2 | CZ2 | HZ2 | 0.7° | 0.3° |
| CZ2 | CE2 | NE1 | HE1 | 0.9° | 0.1° |
| CE2 | CZ2 | CH2 | HZ2 | 180.0° | 180.0° |
| CE2 | CZ2 | CH2 | CZ3 | 0.3° | 0.1° |
| CE2 | CZ2 | CH2 | HH2 | 179.7° | 179.9° |
| CE3 | CZ3 | CH2 | CZ2 | 0.2° | 0.0° |
| CE3 | CZ3 | CH2 | HZ3 | 180.0° | 180.0° |
| CE3 | CZ3 | CH2 | HH2 | 179.9° | 180.0° |
| HE3 | CE3 | CZ3 | CH2 | 179.5° | 179.9° |
| HE3 | CE3 | CZ3 | HZ3 | 0.5° | 0.1° |
| CZ2 | CH2 | CZ3 | HH2 | 180.0° | 180.0° |
| CZ2 | CH2 | CZ3 | HZ3 | 179.9° | 179.9° |
| HZ2 | CZ2 | CH2 | CZ3 | 179.6° | 180.0° |
| HZ2 | CZ2 | CH2 | HH2 | 0.3° | 0.0° |
| HZ3 | CZ3 | CH2 | HH2 | 0.1° | 0.0° |
