NLQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | sing | 1.34Å | 1.26Å | |
| OXT | HO | sing | 0.97Å | 0.95Å | |
| C | O | doub | 1.21Å | 1.26Å | |
| C | CA | sing | 1.51Å | 1.50Å | |
| CA | N | sing | 1.46Å | 1.47Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| N | C6 | sing | 1.35Å | 1.45Å | |
| N | H | sing | 0.97Å | 1.02Å | |
| C6 | O4 | doub | 1.21Å | 1.41Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C7 | H73 | sing | 1.09Å | 1.12Å | |
| CB | CG | sing | 1.53Å | 1.52Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CB | HB3 | sing | 1.09Å | 1.11Å | |
| CG | CD | sing | 1.51Å | 1.52Å | |
| CG | HG2 | sing | 1.09Å | 1.12Å | |
| CG | HG3 | sing | 1.09Å | 1.12Å | |
| CD | NE2 | sing | 1.35Å | 1.45Å | |
| CD | OE1 | doub | 1.21Å | 1.42Å | |
| NE2 | HE21 | sing | 0.97Å | 1.02Å | |
| NE2 | HE22 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | OXT | HO | 124.1° | 120.0° |
| OXT | C | O | 124.1° | 120.0° |
| OXT | C | CA | 118.3° | 120.0° |
| O | C | CA | 117.5° | 120.0° |
| C | CA | N | 115.7° | 109.4° |
| C | CA | CB | 104.3° | 109.5° |
| C | CA | HA | 109.1° | 109.5° |
| N | CA | CB | 109.8° | 109.5° |
| N | CA | HA | 103.4° | 109.5° |
| CA | N | C6 | 123.2° | 120.1° |
| CA | N | H | 119.2° | 120.0° |
| CB | CA | HA | 115.0° | 109.5° |
| CA | CB | CG | 115.3° | 109.5° |
| CA | CB | HB2 | 110.1° | 109.4° |
| CA | CB | HB3 | 110.1° | 109.5° |
| C6 | N | H | 117.6° | 119.9° |
| N | C6 | O4 | 107.8° | 119.9° |
| N | C6 | C7 | 110.9° | 120.1° |
| O4 | C6 | C7 | 110.3° | 120.0° |
| C6 | C7 | H71 | 111.7° | 109.5° |
| C6 | C7 | H72 | 110.8° | 109.4° |
| C6 | C7 | H73 | 111.7° | 109.4° |
| H71 | C7 | H72 | 111.7° | 109.5° |
| H71 | C7 | H73 | 98.7° | 109.5° |
| H72 | C7 | H73 | 111.7° | 109.5° |
| CG | CB | HB2 | 110.1° | 109.5° |
| CG | CB | HB3 | 110.1° | 109.5° |
| CB | CG | CD | 106.3° | 109.5° |
| CB | CG | HG2 | 113.4° | 109.5° |
| CB | CG | HG3 | 113.4° | 109.4° |
| HB2 | CB | HB3 | 100.1° | 109.4° |
| CD | CG | HG2 | 113.4° | 109.6° |
| CD | CG | HG3 | 113.4° | 109.5° |
| CG | CD | NE2 | 101.6° | 120.0° |
| CG | CD | OE1 | 112.8° | 120.0° |
| HG2 | CG | HG3 | 97.0° | 109.4° |
| NE2 | CD | OE1 | 110.1° | 120.0° |
| CD | NE2 | HE21 | 101.6° | 120.0° |
| CD | NE2 | HE22 | 110.1° | 119.9° |
| HE21 | NE2 | HE22 | 112.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | O | CA | 177.7° | 180.0° |
| OXT | C | CA | N | 139.4° | 30.0° |
| OXT | C | CA | CB | 99.9° | 90.0° |
| OXT | C | CA | HA | 23.4° | 150.0° |
| HO | OXT | C | O | 180.0° | 0.0° |
| HO | OXT | C | CA | 2.3° | 180.0° |
| O | C | CA | N | 42.7° | 150.0° |
| O | C | CA | CB | 77.9° | 90.0° |
| O | C | CA | HA | 158.8° | 30.0° |
| C | CA | N | CB | 117.6° | 120.0° |
| C | CA | N | HA | 119.2° | 120.0° |
| C | CA | CB | HA | 119.4° | 120.0° |
| C | CA | N | C6 | 26.1° | 90.0° |
| C | CA | N | H | 153.9° | 90.1° |
| C | CA | CB | CG | 95.1° | 180.0° |
| C | CA | CB | HB2 | 30.1° | 60.0° |
| C | CA | CB | HB3 | 139.6° | 59.9° |
| N | CA | CB | HA | 116.1° | 120.0° |
| CA | N | C6 | H | 180.0° | 179.9° |
| CA | N | C6 | O4 | 60.3° | 0.0° |
| CA | N | C6 | C7 | 178.9° | 180.0° |
| N | CA | CB | CG | 140.4° | 60.0° |
| N | CA | CB | HB2 | 94.4° | 180.0° |
| N | CA | CB | HB3 | 15.1° | 60.1° |
| CB | CA | N | C6 | 143.7° | 150.0° |
| CB | CA | N | H | 36.2° | 29.9° |
| CA | CB | CG | HB2 | 125.2° | 120.0° |
| CA | CB | CG | HB3 | 125.3° | 120.1° |
| CA | CB | HB2 | HB3 | 115.9° | 120.0° |
| CA | CB | CG | CD | 109.9° | 179.9° |
| CA | CB | CG | HG2 | 15.4° | 59.9° |
| CA | CB | CG | HG3 | 124.8° | 59.9° |
| HA | CA | N | C6 | 93.1° | 30.0° |
| HA | CA | N | H | 87.0° | 149.9° |
| HA | CA | CB | CG | 24.2° | 60.0° |
| HA | CA | CB | HB2 | 149.5° | 60.0° |
| HA | CA | CB | HB3 | 101.1° | 179.9° |
| N | C6 | O4 | C7 | 121.1° | 180.0° |
| N | C6 | C7 | H71 | 54.8° | 180.0° |
| N | C6 | C7 | H72 | 180.0° | 60.0° |
| N | C6 | C7 | H73 | 54.7° | 60.0° |
| H | N | C6 | O4 | 119.7° | 180.0° |
| H | N | C6 | C7 | 1.0° | 0.1° |
| O4 | C6 | C7 | H71 | 64.5° | 0.0° |
| O4 | C6 | C7 | H72 | 60.7° | 120.0° |
| O4 | C6 | C7 | H73 | 174.0° | 120.0° |
| C6 | C7 | H71 | H72 | 124.8° | 120.0° |
| C6 | C7 | H71 | H73 | 117.6° | 120.0° |
| C6 | C7 | H72 | H73 | 125.3° | 119.9° |
| H71 | C7 | H72 | H73 | 109.5° | 120.1° |
| CG | CB | HB2 | HB3 | 115.9° | 120.0° |
| CB | CG | CD | HG2 | 125.3° | 120.1° |
| CB | CG | CD | HG3 | 125.3° | 120.0° |
| CB | CG | HG2 | HG3 | 119.3° | 119.9° |
| CB | CG | CD | NE2 | 40.3° | 179.9° |
| CB | CG | CD | OE1 | 77.5° | 0.1° |
| HB2 | CB | CG | CD | 124.8° | 60.0° |
| HB2 | CB | CG | HG2 | 109.9° | 179.9° |
| HB2 | CB | CG | HG3 | 0.5° | 60.0° |
| HB3 | CB | CG | CD | 15.4° | 60.0° |
| HB3 | CB | CG | HG2 | 140.7° | 60.1° |
| HB3 | CB | CG | HG3 | 109.9° | 180.0° |
| CD | CG | HG2 | HG3 | 119.3° | 120.0° |
| CG | CD | NE2 | OE1 | 119.8° | 179.8° |
| CG | CD | NE2 | HE21 | 180.0° | 180.0° |
| CG | CD | NE2 | HE22 | 60.2° | 0.1° |
| HG2 | CG | CD | NE2 | 85.0° | 59.8° |
| HG2 | CG | CD | OE1 | 157.1° | 120.0° |
| HG3 | CG | CD | NE2 | 165.6° | 60.1° |
| HG3 | CG | CD | OE1 | 47.7° | 120.0° |
| CD | NE2 | HE21 | HE22 | 117.8° | 179.9° |
| OE1 | CD | NE2 | HE21 | 60.3° | 0.2° |
| OE1 | CD | NE2 | HE22 | 180.0° | 180.0° |
