NMK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NZ | CE | sing | 1.47Å | 1.48Å | |
| CE | CD | sing | 1.53Å | 1.54Å | |
| CD | CG | sing | 1.53Å | 1.55Å | |
| CG | CB | sing | 1.53Å | 1.56Å | |
| CA | N | sing | 1.47Å | 1.51Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | C | sing | 1.51Å | 1.57Å | |
| N | CN | sing | 1.47Å | 1.49Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.36Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| CE | HE2 | sing | 1.09Å | 1.10Å | |
| CE | HE3 | sing | 1.09Å | 1.10Å | |
| NZ | HZ1 | sing | 1.01Å | 1.00Å | |
| NZ | HZ3 | sing | 1.01Å | 1.00Å | |
| CN | HM1 | sing | 1.09Å | 1.10Å | |
| CN | HM2 | sing | 1.09Å | 1.10Å | |
| CN | HM3 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| NZ | HZ2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NZ | CE | CD | 112.3° | 109.4° |
| NZ | CE | HE2 | 108.7° | 109.5° |
| NZ | CE | HE3 | 108.8° | 109.5° |
| CE | NZ | HZ1 | 109.5° | 109.4° |
| CE | NZ | HZ3 | 109.4° | 109.5° |
| CE | NZ | HZ2 | 109.5° | 109.4° |
| CE | CD | CG | 119.4° | 109.5° |
| CE | CD | HD2 | 107.0° | 109.5° |
| CE | CD | HD3 | 106.9° | 109.5° |
| CD | CE | HE2 | 108.8° | 109.4° |
| CD | CE | HE3 | 108.8° | 109.4° |
| CD | CG | CB | 117.0° | 109.5° |
| CD | CG | HG2 | 107.6° | 109.5° |
| CD | CG | HG3 | 107.5° | 109.5° |
| CG | CD | HD2 | 106.9° | 109.5° |
| CG | CD | HD3 | 106.9° | 109.4° |
| CG | CB | CA | 117.7° | 109.5° |
| CG | CB | HB2 | 107.4° | 109.5° |
| CG | CB | HB3 | 107.4° | 109.5° |
| CB | CG | HG2 | 107.5° | 109.4° |
| CB | CG | HG3 | 107.6° | 109.4° |
| N | CA | CB | 110.7° | 109.5° |
| N | CA | C | 113.4° | 109.5° |
| CA | N | CN | 119.8° | 111.0° |
| CA | N | H | 106.8° | 111.0° |
| N | CA | HA | 105.9° | 109.5° |
| CB | CA | C | 115.5° | 109.5° |
| CB | CA | HA | 105.3° | 109.4° |
| CA | CB | HB2 | 107.4° | 109.4° |
| CA | CB | HB3 | 107.4° | 109.5° |
| CA | C | O | 120.3° | 120.0° |
| CA | C | OXT | 118.6° | 120.0° |
| C | CA | HA | 105.2° | 109.5° |
| CN | N | H | 106.8° | 111.0° |
| N | CN | HM1 | 109.5° | 109.5° |
| N | CN | HM2 | 109.4° | 109.4° |
| N | CN | HM3 | 109.5° | 109.5° |
| O | C | OXT | 121.1° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| HG2 | CG | HG3 | 109.4° | 109.5° |
| HD2 | CD | HD3 | 109.5° | 109.4° |
| HE2 | CE | HE3 | 109.5° | 109.5° |
| HZ1 | NZ | HZ3 | 109.5° | 109.5° |
| HZ1 | NZ | HZ2 | 109.5° | 109.5° |
| HZ3 | NZ | HZ2 | 109.5° | 109.5° |
| HM1 | CN | HM2 | 109.5° | 109.5° |
| HM1 | CN | HM3 | 109.5° | 109.5° |
| HM2 | CN | HM3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NZ | CE | CD | HE2 | 120.4° | 120.0° |
| NZ | CE | CD | HE3 | 120.4° | 120.0° |
| NZ | CE | CD | CG | 61.5° | 180.0° |
| NZ | CE | CD | HD2 | 177.0° | 60.0° |
| NZ | CE | CD | HD3 | 59.8° | 60.0° |
| NZ | CE | HE2 | HE3 | 118.7° | 120.1° |
| CE | NZ | HZ1 | HZ3 | 120.0° | 120.0° |
| CE | NZ | HZ1 | HZ2 | 120.0° | 119.9° |
| CE | NZ | HZ3 | HZ2 | 120.0° | 120.0° |
| CE | CD | CG | HD2 | 121.4° | 120.1° |
| CE | CD | CG | HD3 | 121.4° | 120.0° |
| CE | CD | CG | CB | 63.0° | NaN° |
| CE | CD | CG | HG2 | 175.9° | 60.0° |
| CE | CD | CG | HG3 | 58.1° | 60.0° |
| CE | CD | HD2 | HD3 | 115.5° | 120.0° |
| CD | CE | HE2 | HE3 | 118.7° | 120.0° |
| CD | CE | NZ | HZ1 | 180.0° | 60.0° |
| CD | CE | NZ | HZ3 | 60.0° | 60.0° |
| CD | CE | NZ | HZ2 | 60.0° | 180.0° |
| CD | CG | CB | HG2 | 121.1° | 120.0° |
| CD | CG | CB | HG3 | 121.1° | 120.0° |
| CD | CG | CB | CA | 90.5° | 180.0° |
| CD | CG | CB | HB2 | 30.7° | 60.0° |
| CD | CG | CB | HB3 | 148.3° | 60.0° |
| CD | CG | HG2 | HG3 | 116.5° | 120.0° |
| CG | CD | HD2 | HD3 | 115.5° | 119.9° |
| CG | CD | CE | HE2 | 58.9° | 60.0° |
| CG | CD | CE | HE3 | 178.0° | 60.0° |
| CG | CB | CA | N | 59.9° | 65.0° |
| CG | CB | CA | HB2 | 121.2° | 120.0° |
| CG | CB | CA | HB3 | 121.2° | 120.1° |
| CG | CB | CA | C | 169.6° | 175.0° |
| CG | CB | CA | HA | 54.1° | 55.0° |
| CG | CB | HB2 | HB3 | 116.3° | 120.1° |
| CB | CG | HG2 | HG3 | 116.6° | 120.0° |
| CB | CG | CD | HD2 | 58.4° | 59.9° |
| CB | CG | CD | HD3 | 175.6° | 60.0° |
| N | CA | CB | C | 130.5° | 120.0° |
| N | CA | CB | HA | 114.0° | 120.0° |
| N | CA | C | HA | 115.2° | 120.0° |
| CA | N | CN | H | 121.4° | 124.0° |
| N | CA | C | O | 137.1° | 26.6° |
| N | CA | C | OXT | 43.4° | 153.4° |
| N | CA | CB | HB2 | 178.9° | 55.0° |
| N | CA | CB | HB3 | 61.3° | 175.0° |
| CA | N | CN | HM1 | 180.0° | 64.6° |
| CA | N | CN | HM2 | 60.0° | 55.4° |
| CA | N | CN | HM3 | 60.0° | 175.4° |
| CB | CA | C | HA | 115.6° | 120.0° |
| CB | CA | N | CN | 68.1° | 154.3° |
| CB | CA | C | O | 8.0° | 93.4° |
| CB | CA | C | OXT | 172.6° | 86.6° |
| CB | CA | N | H | 53.4° | 81.7° |
| CA | CB | HB2 | HB3 | 116.2° | 119.9° |
| CA | CB | CG | HG2 | 148.4° | 60.0° |
| CA | CB | CG | HG3 | 30.6° | 60.0° |
| C | CA | N | CN | 63.5° | 85.7° |
| CA | C | O | OXT | 179.5° | 180.0° |
| C | CA | N | H | 175.0° | 38.3° |
| C | CA | CB | HB2 | 48.4° | 65.0° |
| C | CA | CB | HB3 | 69.2° | 55.0° |
| CA | C | OXT | HXT | 179.5° | 180.0° |
| CN | N | CA | HA | 178.3° | 34.4° |
| N | CN | HM1 | HM2 | 120.0° | 120.0° |
| N | CN | HM1 | HM3 | 120.0° | 120.1° |
| N | CN | HM2 | HM3 | 120.0° | 120.0° |
| O | C | CA | HA | 107.7° | 146.6° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA | 71.8° | 33.4° |
| H | N | CA | HA | 60.3° | 158.4° |
| H | N | CN | HM1 | 58.6° | 171.5° |
| H | N | CN | HM2 | 178.6° | 68.5° |
| H | N | CN | HM3 | 61.4° | 51.4° |
| HA | CA | CB | HB2 | 67.1° | 175.0° |
| HA | CA | CB | HB3 | 175.3° | 65.1° |
| HB2 | CB | CG | HG2 | 90.4° | 180.0° |
| HB2 | CB | CG | HG3 | 151.8° | 60.0° |
| HB3 | CB | CG | HG2 | 27.2° | 60.0° |
| HB3 | CB | CG | HG3 | 90.6° | 180.0° |
| HG2 | CG | CD | HD2 | 62.7° | 179.9° |
| HG2 | CG | CD | HD3 | 54.5° | 60.0° |
| HG3 | CG | CD | HD2 | 179.5° | 60.0° |
| HG3 | CG | CD | HD3 | 63.3° | 180.0° |
| HD2 | CD | CE | HE2 | 62.5° | 180.0° |
| HD2 | CD | CE | HE3 | 56.6° | 60.0° |
| HD3 | CD | CE | HE2 | 179.7° | 60.0° |
| HD3 | CD | CE | HE3 | 60.6° | 180.0° |
| HE2 | CE | NZ | HZ1 | 59.6° | 180.0° |
| HE2 | CE | NZ | HZ3 | 60.5° | 60.0° |
| HE2 | CE | NZ | HZ2 | 179.6° | 60.1° |
| HE3 | CE | NZ | HZ1 | 59.6° | 60.0° |
| HE3 | CE | NZ | HZ3 | 179.6° | 180.0° |
| HE3 | CE | NZ | HZ2 | 60.4° | 60.0° |
| HZ1 | NZ | HZ3 | HZ2 | 120.0° | 120.1° |
| HM1 | CN | HM2 | HM3 | 120.0° | 120.0° |
