51S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CN | CG | sing | 1.51Å | 1.51Å | |
| CD1 | CG | doub | 1.38Å | 1.38Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.38Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
| CE1 | CZ | doub | 1.39Å | 1.38Å | Aromatic |
| CD2 | CE2 | doub | 1.38Å | 1.39Å | Aromatic |
| CZ | CE2 | sing | 1.39Å | 1.39Å | Aromatic |
| CZ | NH2 | sing | 1.40Å | 1.42Å | |
| CE2 | CM | sing | 1.51Å | 1.51Å | |
| CD1 | H1 | sing | 1.08Å | 1.08Å | |
| CE1 | H2 | sing | 1.08Å | 1.08Å | |
| CD2 | H3 | sing | 1.08Å | 1.08Å | |
| CM | H4 | sing | 1.09Å | 1.10Å | |
| CM | H5 | sing | 1.09Å | 1.10Å | |
| CM | H6 | sing | 1.09Å | 1.10Å | |
| CN | H7 | sing | 1.09Å | 1.10Å | |
| CN | H8 | sing | 1.09Å | 1.10Å | |
| CN | H9 | sing | 1.09Å | 1.10Å | |
| NH2 | H10 | sing | 0.97Å | 1.00Å | |
| NH2 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CN | CG | CD1 | 119.2° | 119.9° |
| CN | CG | CD2 | 120.9° | 119.9° |
| CG | CN | H7 | 109.5° | 109.4° |
| CG | CN | H8 | 109.5° | 109.5° |
| CG | CN | H9 | 109.4° | 109.5° |
| CG | CD1 | CE1 | 120.5° | 120.1° |
| CD1 | CG | CD2 | 119.9° | 120.2° |
| CG | CD1 | H1 | 119.7° | 120.0° |
| CD1 | CE1 | CZ | 119.7° | 119.9° |
| CE1 | CD1 | H1 | 119.7° | 120.0° |
| CD1 | CE1 | H2 | 120.2° | 120.0° |
| CG | CD2 | CE2 | 119.6° | 120.0° |
| CG | CD2 | H3 | 120.2° | 120.0° |
| CE1 | CZ | CE2 | 120.0° | 119.8° |
| CE1 | CZ | NH2 | 119.8° | 120.0° |
| CZ | CE1 | H2 | 120.2° | 120.1° |
| CD2 | CE2 | CZ | 120.3° | 120.0° |
| CD2 | CE2 | CM | 119.9° | 120.0° |
| CE2 | CD2 | H3 | 120.2° | 120.0° |
| CE2 | CZ | NH2 | 120.2° | 120.1° |
| CZ | CE2 | CM | 119.8° | 120.0° |
| CZ | NH2 | H10 | 109.5° | 120.0° |
| CZ | NH2 | H11 | 109.4° | 120.0° |
| CE2 | CM | H4 | 109.5° | 109.5° |
| CE2 | CM | H5 | 109.5° | 109.5° |
| CE2 | CM | H6 | 109.4° | 109.5° |
| H4 | CM | H5 | 109.4° | 109.4° |
| H4 | CM | H6 | 109.5° | 109.5° |
| H5 | CM | H6 | 109.5° | 109.5° |
| H7 | CN | H8 | 109.4° | 109.5° |
| H7 | CN | H9 | 109.5° | 109.4° |
| H8 | CN | H9 | 109.5° | 109.5° |
| H10 | NH2 | H11 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CN | CG | CD1 | CD2 | 179.7° | 179.8° |
| CN | CG | CD1 | CE1 | 179.9° | 179.8° |
| CN | CG | CD2 | CE2 | 179.7° | 179.7° |
| CN | CG | CD1 | H1 | 0.1° | 0.2° |
| CN | CG | CD2 | H3 | 0.3° | 0.2° |
| CG | CN | H7 | H8 | 120.0° | 120.0° |
| CG | CN | H7 | H9 | 120.0° | 120.0° |
| CG | CN | H8 | H9 | 120.0° | 120.1° |
| CG | CD1 | CE1 | H1 | 180.0° | 180.0° |
| CG | CD1 | CE1 | CZ | 0.2° | 0.0° |
| CD1 | CG | CD2 | CE2 | 0.1° | 0.0° |
| CG | CD1 | CE1 | H2 | 179.8° | 180.0° |
| CD1 | CG | CD2 | H3 | 180.0° | 180.0° |
| CD1 | CG | CN | H7 | 90.2° | 89.8° |
| CD1 | CG | CN | H8 | 149.8° | 30.2° |
| CD1 | CG | CN | H9 | 29.9° | 150.3° |
| CE1 | CD1 | CG | CD2 | 0.2° | 0.0° |
| CD1 | CE1 | CZ | H2 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.1° | 0.0° |
| CD1 | CE1 | CZ | NH2 | 179.9° | 180.0° |
| CG | CD2 | CE2 | H3 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CZ | 0.1° | 0.1° |
| CG | CD2 | CE2 | CM | 179.9° | 180.0° |
| CD2 | CG | CD1 | H1 | 179.8° | 180.0° |
| CD2 | CG | CN | H7 | 90.2° | 90.0° |
| CD2 | CG | CN | H8 | 29.8° | 150.0° |
| CD2 | CG | CN | H9 | 149.8° | 29.9° |
| CE1 | CZ | CE2 | CD2 | 0.0° | 0.1° |
| CE1 | CZ | CE2 | NH2 | 180.0° | 180.0° |
| CE1 | CZ | CE2 | CM | 179.9° | 180.0° |
| CZ | CE1 | CD1 | H1 | 179.8° | 180.0° |
| CE1 | CZ | NH2 | H10 | 180.0° | 0.0° |
| CE1 | CZ | NH2 | H11 | 60.0° | 180.0° |
| CD2 | CE2 | CZ | CM | 179.9° | 179.9° |
| CD2 | CE2 | CZ | NH2 | 180.0° | 180.0° |
| CD2 | CE2 | CM | H4 | 90.0° | 90.0° |
| CD2 | CE2 | CM | H5 | 150.0° | 150.0° |
| CD2 | CE2 | CM | H6 | 30.0° | 30.0° |
| CE2 | CZ | CE1 | H2 | 179.9° | 180.0° |
| CZ | CE2 | CD2 | H3 | 179.9° | 179.9° |
| CZ | CE2 | CM | H4 | 90.0° | 89.9° |
| CZ | CE2 | CM | H5 | 30.0° | 30.0° |
| CZ | CE2 | CM | H6 | 150.0° | 150.1° |
| CE2 | CZ | NH2 | H10 | 0.0° | 180.0° |
| CE2 | CZ | NH2 | H11 | 120.0° | 0.0° |
| NH2 | CZ | CE2 | CM | 0.1° | 0.0° |
| NH2 | CZ | CE1 | H2 | 0.1° | 0.0° |
| CZ | NH2 | H10 | H11 | 120.0° | 180.0° |
| CM | CE2 | CD2 | H3 | 0.1° | 0.0° |
| CE2 | CM | H4 | H5 | 120.0° | 120.0° |
| CE2 | CM | H4 | H6 | 120.0° | 120.0° |
| CE2 | CM | H5 | H6 | 120.0° | 120.1° |
| H1 | CD1 | CE1 | H2 | 0.2° | 0.0° |
| H4 | CM | H5 | H6 | 120.0° | 120.0° |
| H7 | CN | H8 | H9 | 120.0° | 119.9° |
