KBE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.27Å | |
| C | CA | sing | 1.51Å | 1.51Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| N | CB | sing | 1.47Å | 1.48Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HB | sing | 1.09Å | 1.10Å | |
| CA | HAA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | HA | sing | 1.09Å | 1.10Å | |
| CD | CE | sing | 1.53Å | 1.53Å | |
| CD | CG | sing | 1.53Å | 1.53Å | |
| CD | HD | sing | 1.09Å | 1.10Å | |
| CD | HDA | sing | 1.09Å | 1.10Å | |
| CE | NZ | sing | 1.47Å | 1.47Å | |
| CE | HE | sing | 1.09Å | 1.10Å | |
| CE | HEA | sing | 1.09Å | 1.10Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CG | HGA | sing | 1.09Å | 1.10Å | |
| NZ | HNZ | sing | 1.01Å | 1.00Å | |
| NZ | HNZA | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 122.0° | 120.0° |
| O | C | OXT | 119.0° | 120.0° |
| CA | C | OXT | 119.0° | 120.0° |
| C | CA | CB | 116.3° | 109.5° |
| C | CA | HB | 107.2° | 109.4° |
| C | CA | HAA | 107.2° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| CB | N | H | 109.5° | 111.0° |
| CB | N | H2 | 109.5° | 111.0° |
| N | CB | CA | 108.8° | 109.5° |
| N | CB | CG | 109.2° | 109.5° |
| N | CB | HA | 110.5° | 109.5° |
| H | N | H2 | 109.4° | 111.0° |
| CB | CA | HB | 107.3° | 109.5° |
| CB | CA | HAA | 107.2° | 109.5° |
| CA | CB | CG | 110.7° | 109.5° |
| CA | CB | HA | 109.1° | 109.4° |
| HB | CA | HAA | 111.6° | 109.4° |
| CG | CB | HA | 108.6° | 109.5° |
| CB | CG | CD | 109.4° | 109.5° |
| CB | CG | HG | 109.5° | 109.4° |
| CB | CG | HGA | 109.5° | 109.4° |
| CE | CD | CG | 110.8° | 109.5° |
| CE | CD | HD | 109.0° | 109.5° |
| CE | CD | HDA | 109.0° | 109.4° |
| CD | CE | NZ | 110.2° | 109.5° |
| CD | CE | HE | 109.2° | 109.5° |
| CD | CE | HEA | 109.2° | 109.5° |
| CG | CD | HD | 109.0° | 109.5° |
| CG | CD | HDA | 109.0° | 109.5° |
| CD | CG | HG | 109.5° | 109.5° |
| CD | CG | HGA | 109.5° | 109.5° |
| HD | CD | HDA | 109.9° | 109.4° |
| NZ | CE | HE | 109.2° | 109.5° |
| NZ | CE | HEA | 109.3° | 109.4° |
| CE | NZ | HNZ | 109.5° | 111.0° |
| CE | NZ | HNZA | 109.5° | 111.0° |
| HE | CE | HEA | 109.7° | 109.4° |
| HG | CG | HGA | 109.4° | 109.5° |
| HNZ | NZ | HNZA | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 180.0° | 179.7° |
| O | C | CA | CB | 13.8° | 0.0° |
| O | C | CA | HB | 133.8° | 120.0° |
| O | C | CA | HAA | 106.2° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | CA | CB | N | 47.8° | 65.0° |
| C | CA | CB | HB | 120.0° | 120.0° |
| C | CA | CB | HAA | 120.0° | 120.1° |
| C | CA | HB | HAA | 117.2° | 120.0° |
| C | CA | CB | CG | 72.2° | 175.0° |
| C | CA | CB | HA | 168.4° | 55.0° |
| CA | C | OXT | HXT | 180.0° | 179.8° |
| OXT | C | CA | CB | 166.2° | 179.7° |
| OXT | C | CA | HB | 46.2° | 59.7° |
| OXT | C | CA | HAA | 73.8° | 60.2° |
| CB | N | H | H2 | 120.0° | 123.9° |
| N | CB | CA | CG | 120.0° | 120.0° |
| N | CB | CA | HA | 120.6° | 120.0° |
| N | CB | CA | HB | 167.8° | 55.0° |
| N | CB | CA | HAA | 72.2° | 175.0° |
| N | CB | CG | HA | 120.6° | 120.0° |
| N | CB | CG | CD | 71.0° | 65.0° |
| N | CB | CG | HG | 49.0° | 55.0° |
| N | CB | CG | HGA | 169.0° | 175.0° |
| H | N | CB | CA | 180.0° | 63.9° |
| H | N | CB | CG | 59.1° | 176.0° |
| H | N | CB | HA | 60.3° | 56.1° |
| H2 | N | CB | CA | 60.0° | 60.0° |
| H2 | N | CB | CG | 179.1° | 60.0° |
| H2 | N | CB | HA | 59.7° | 180.0° |
| CB | CA | HB | HAA | 117.2° | 120.0° |
| CA | CB | CG | HA | 119.7° | 120.0° |
| CA | CB | CG | CD | 169.3° | 175.0° |
| CA | CB | CG | HG | 70.7° | 65.0° |
| CA | CB | CG | HGA | 49.3° | 55.0° |
| HB | CA | CB | CG | 47.8° | 65.0° |
| HB | CA | CB | HA | 71.6° | 175.0° |
| HAA | CA | CB | CG | 167.8° | 54.9° |
| HAA | CA | CB | HA | 48.4° | 65.0° |
| CB | CG | CD | CE | 173.9° | 180.0° |
| CB | CG | CD | HG | 120.0° | 120.0° |
| CB | CG | CD | HGA | 120.0° | 120.0° |
| CB | CG | CD | HD | 66.1° | 60.0° |
| CB | CG | CD | HDA | 53.9° | 60.0° |
| CB | CG | HG | HGA | 120.0° | 119.9° |
| HA | CB | CG | CD | 49.6° | 55.0° |
| HA | CB | CG | HG | 169.6° | 175.1° |
| HA | CB | CG | HGA | 70.4° | 65.0° |
| CE | CD | CG | HD | 120.0° | 120.0° |
| CE | CD | CG | HDA | 120.0° | 120.0° |
| CE | CD | HD | HDA | 119.4° | 119.9° |
| CD | CE | NZ | HE | 120.0° | 120.0° |
| CD | CE | NZ | HEA | 120.0° | 120.0° |
| CD | CE | HE | HEA | 119.7° | 120.0° |
| CE | CD | CG | HG | 66.1° | 60.0° |
| CE | CD | CG | HGA | 53.9° | 60.0° |
| CD | CE | NZ | HNZ | 180.0° | 56.1° |
| CD | CE | NZ | HNZA | 60.0° | 180.0° |
| CG | CD | HD | HDA | 119.5° | 120.0° |
| CG | CD | CE | NZ | 173.5° | 180.0° |
| CG | CD | CE | HE | 66.5° | 60.0° |
| CG | CD | CE | HEA | 53.5° | 60.0° |
| CD | CG | HG | HGA | 120.0° | 120.0° |
| HD | CD | CE | NZ | 66.5° | 60.0° |
| HD | CD | CE | HE | 53.5° | 60.1° |
| HD | CD | CE | HEA | 173.5° | 179.9° |
| HD | CD | CG | HG | 53.9° | 60.0° |
| HD | CD | CG | HGA | 173.9° | 180.0° |
| HDA | CD | CE | NZ | 53.5° | 59.9° |
| HDA | CD | CE | HE | 173.5° | 180.0° |
| HDA | CD | CE | HEA | 66.5° | 60.0° |
| HDA | CD | CG | HG | 173.9° | 180.0° |
| HDA | CD | CG | HGA | 66.1° | 60.0° |
| NZ | CE | HE | HEA | 119.7° | 120.0° |
| CE | NZ | HNZ | HNZA | 120.0° | 123.9° |
| HE | CE | NZ | HNZ | 60.0° | 64.0° |
| HE | CE | NZ | HNZA | 180.0° | 60.0° |
| HEA | CE | NZ | HNZ | 60.0° | 176.1° |
| HEA | CE | NZ | HNZA | 60.0° | 60.0° |
