NRG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.48Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.54Å | |
| CB | HCB1 | sing | 1.09Å | 1.10Å | |
| CB | HCB2 | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.53Å | 1.54Å | |
| CG | HCG1 | sing | 1.09Å | 1.10Å | |
| CG | HCG2 | sing | 1.09Å | 1.10Å | |
| CD | NE | sing | 1.47Å | 1.48Å | |
| CD | HCD1 | sing | 1.09Å | 1.10Å | |
| CD | HCD2 | sing | 1.09Å | 1.10Å | |
| NE | CZ | sing | 1.37Å | 1.32Å | |
| NE | HNE | sing | 0.97Å | 1.00Å | |
| CZ | NH1 | sing | 1.37Å | 1.35Å | |
| CZ | NH2 | doub | 1.30Å | 1.33Å | |
| NH1 | N1 | sing | 1.40Å | 1.45Å | |
| NH1 | HNH1 | sing | 0.97Å | 1.00Å | |
| NH2 | HNH2 | sing | 0.97Å | 1.00Å | |
| C | O | doub | 1.34Å | 1.24Å | |
| C | OXT | sing | 1.21Å | 1.25Å | |
| OXT | HXT | sing | 5.61Å | 0.95Å | |
| N1 | O2 | sing | 1.22Å | 1.21Å | |
| N1 | O3 | doub | 1.22Å | 1.23Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 106.7° |
| CA | N | H2 | 109.5° | 106.7° |
| N | CA | CB | 109.1° | 109.5° |
| N | CA | C | 111.5° | 109.5° |
| N | CA | HA | 108.5° | 109.5° |
| H | N | H2 | 109.5° | 106.7° |
| CB | CA | C | 110.0° | 109.4° |
| CB | CA | HA | 110.0° | 109.4° |
| CA | CB | CG | 112.7° | 109.4° |
| CA | CB | HCB1 | 108.4° | 109.5° |
| CA | CB | HCB2 | 107.7° | 109.5° |
| C | CA | HA | 107.7° | 109.5° |
| CA | C | O | 117.5° | 120.0° |
| CA | C | OXT | 118.0° | 120.0° |
| CG | CB | HCB1 | 108.4° | 109.4° |
| CG | CB | HCB2 | 107.7° | 109.5° |
| CB | CG | CD | 110.0° | 109.5° |
| CB | CG | HCG1 | 109.3° | 109.5° |
| CB | CG | HCG2 | 109.2° | 109.5° |
| HCB1 | CB | HCB2 | 112.0° | 109.5° |
| CD | CG | HCG1 | 109.3° | 109.5° |
| CD | CG | HCG2 | 109.2° | 109.4° |
| CG | CD | NE | 113.5° | 109.5° |
| CG | CD | HCD1 | 108.2° | 109.5° |
| CG | CD | HCD2 | 107.2° | 109.5° |
| HCG1 | CG | HCG2 | 109.9° | 109.5° |
| NE | CD | HCD1 | 108.2° | 109.4° |
| NE | CD | HCD2 | 107.3° | 109.4° |
| CD | NE | CZ | 125.1° | 120.1° |
| CD | NE | HNE | 117.5° | 120.0° |
| HCD1 | CD | HCD2 | 112.6° | 109.4° |
| CZ | NE | HNE | 117.5° | 120.0° |
| NE | CZ | NH1 | 119.8° | 120.0° |
| NE | CZ | NH2 | 118.5° | 120.0° |
| NH1 | CZ | NH2 | 121.7° | 120.0° |
| CZ | NH1 | N1 | 126.8° | 120.0° |
| CZ | NH1 | HNH1 | 116.6° | 120.0° |
| CZ | NH2 | HNH2 | 110.5° | 120.0° |
| N1 | NH1 | HNH1 | 116.6° | 120.0° |
| NH1 | N1 | O2 | 119.0° | 120.0° |
| NH1 | N1 | O3 | 121.0° | 120.0° |
| O | C | OXT | 124.5° | 120.0° |
| C | OXT | HXT | 109.5° | 47.6° |
| O2 | N1 | O3 | 119.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 113.8° |
| N | CA | CB | C | 122.6° | 120.0° |
| N | CA | CB | HA | 119.0° | 120.1° |
| N | CA | C | HA | 118.9° | 120.1° |
| N | CA | CB | CG | 55.3° | 65.0° |
| N | CA | CB | HCB1 | 64.7° | 54.9° |
| N | CA | CB | HCB2 | 173.9° | 175.0° |
| N | CA | C | O | 179.8° | 160.0° |
| N | CA | C | OXT | 0.5° | 19.9° |
| H | N | CA | CB | 9.7° | 173.8° |
| H | N | CA | C | 131.4° | 53.8° |
| H | N | CA | HA | 110.2° | 66.2° |
| H2 | N | CA | CB | 129.7° | 60.0° |
| H2 | N | CA | C | 108.6° | 59.9° |
| H2 | N | CA | HA | 9.8° | 180.0° |
| CB | CA | C | HA | 119.9° | 119.9° |
| CA | CB | CG | HCB1 | 120.0° | 120.0° |
| CA | CB | CG | HCB2 | 118.6° | 120.0° |
| CA | CB | HCB1 | HCB2 | 118.6° | 120.1° |
| CA | CB | CG | CD | 160.4° | 180.0° |
| CA | CB | CG | HCG1 | 79.6° | 60.0° |
| CA | CB | CG | HCG2 | 40.7° | 60.0° |
| CB | CA | C | O | 59.0° | 80.0° |
| CB | CA | C | OXT | 120.8° | 100.0° |
| C | CA | CB | CG | 177.9° | 175.0° |
| C | CA | CB | HCB1 | 57.9° | 65.1° |
| C | CA | CB | HCB2 | 63.5° | 55.0° |
| CA | C | O | OXT | 179.7° | 179.9° |
| CA | C | OXT | HXT | 179.7° | 37.2° |
| HA | CA | CB | CG | 63.7° | 55.0° |
| HA | CA | CB | HCB1 | 176.3° | 175.0° |
| HA | CA | CB | HCB2 | 54.9° | 64.9° |
| HA | CA | C | O | 60.9° | 39.9° |
| HA | CA | C | OXT | 119.4° | 140.0° |
| CG | CB | HCB1 | HCB2 | 118.7° | 120.0° |
| CB | CG | CD | HCG1 | 120.0° | 120.0° |
| CB | CG | CD | HCG2 | 119.8° | 120.0° |
| CB | CG | HCG1 | HCG2 | 119.8° | 120.0° |
| CB | CG | CD | NE | 45.7° | 180.0° |
| CB | CG | CD | HCD1 | 74.3° | 60.0° |
| CB | CG | CD | HCD2 | 164.0° | 60.0° |
| HCB1 | CB | CG | CD | 40.5° | 60.0° |
| HCB1 | CB | CG | HCG1 | 160.5° | 180.0° |
| HCB1 | CB | CG | HCG2 | 79.3° | 60.0° |
| HCB2 | CB | CG | CD | 81.0° | 60.0° |
| HCB2 | CB | CG | HCG1 | 39.0° | 60.0° |
| HCB2 | CB | CG | HCG2 | 159.3° | 180.0° |
| CD | CG | HCG1 | HCG2 | 119.8° | 119.9° |
| CG | CD | NE | HCD1 | 120.0° | 120.1° |
| CG | CD | NE | HCD2 | 118.2° | 120.0° |
| CG | CD | HCD1 | HCD2 | 118.3° | 120.0° |
| CG | CD | NE | CZ | 156.6° | 180.0° |
| CG | CD | NE | HNE | 23.4° | 0.0° |
| HCG1 | CG | CD | NE | 165.7° | 60.0° |
| HCG1 | CG | CD | HCD1 | 45.7° | 180.0° |
| HCG1 | CG | CD | HCD2 | 76.0° | 60.0° |
| HCG2 | CG | CD | NE | 74.0° | 60.0° |
| HCG2 | CG | CD | HCD1 | 165.9° | 60.0° |
| HCG2 | CG | CD | HCD2 | 44.2° | 180.0° |
| NE | CD | HCD1 | HCD2 | 118.4° | 119.9° |
| CD | NE | CZ | HNE | 180.0° | 180.0° |
| CD | NE | CZ | NH1 | 2.9° | 180.0° |
| CD | NE | CZ | NH2 | 176.2° | 0.0° |
| HCD1 | CD | NE | CZ | 36.6° | 59.9° |
| HCD1 | CD | NE | HNE | 143.4° | 120.0° |
| HCD2 | CD | NE | CZ | 85.1° | 60.0° |
| HCD2 | CD | NE | HNE | 94.9° | 120.0° |
| NE | CZ | NH1 | NH2 | 179.0° | 180.0° |
| NE | CZ | NH1 | N1 | 171.5° | 173.9° |
| NE | CZ | NH1 | HNH1 | 8.5° | 6.1° |
| NE | CZ | NH2 | HNH2 | 0.4° | 173.4° |
| HNE | NE | CZ | NH1 | 177.1° | 0.0° |
| HNE | NE | CZ | NH2 | 3.8° | 180.0° |
| CZ | NH1 | N1 | HNH1 | 180.0° | 179.9° |
| NH1 | CZ | NH2 | HNH2 | 179.5° | 6.6° |
| CZ | NH1 | N1 | O2 | 170.1° | 32.6° |
| CZ | NH1 | N1 | O3 | 5.0° | 147.4° |
| NH2 | CZ | NH1 | N1 | 9.5° | 6.0° |
| NH2 | CZ | NH1 | HNH1 | 170.5° | 173.9° |
| NH1 | N1 | O2 | O3 | 175.2° | 180.0° |
| HNH1 | NH1 | N1 | O2 | 9.9° | 147.5° |
| HNH1 | NH1 | N1 | O3 | 175.0° | 32.5° |
| O | C | OXT | HXT | 0.0° | 142.9° |
