DLS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C2 | H23 | sing | 1.09Å | 1.11Å | |
| O1 | C1 | doub | 1.21Å | 1.22Å | |
| C1 | N | sing | 1.35Å | 1.33Å | |
| N | CA | sing | 1.46Å | 1.50Å | |
| N | H | sing | 0.97Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.56Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | HCA | sing | 1.09Å | 1.11Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| CB | CG | sing | 1.53Å | 1.56Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CB | HB3 | sing | 1.09Å | 1.12Å | |
| CG | CD | sing | 1.53Å | 1.55Å | |
| CG | HG2 | sing | 1.09Å | 1.11Å | |
| CG | HG3 | sing | 1.09Å | 1.11Å | |
| CD | CE | sing | 1.53Å | 1.54Å | |
| CD | HD2 | sing | 1.09Å | 1.11Å | |
| CD | HD3 | sing | 1.09Å | 1.12Å | |
| CE | NZ | sing | 1.46Å | 1.50Å | |
| CE | HE2 | sing | 1.09Å | 1.12Å | |
| CE | HE3 | sing | 1.09Å | 1.11Å | |
| NZ | CH | sing | 1.35Å | 1.35Å | |
| NZ | HZ | sing | 0.97Å | 1.02Å | |
| CH3 | CH | sing | 1.51Å | 1.51Å | |
| CH3 | HH31 | sing | 1.09Å | 1.12Å | |
| CH3 | HH32 | sing | 1.09Å | 1.12Å | |
| CH3 | HH33 | sing | 1.09Å | 1.12Å | |
| OH | CH | doub | 1.21Å | 1.24Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | H21 | 120.5° | 109.5° |
| C1 | C2 | H22 | 108.2° | 109.5° |
| C1 | C2 | H23 | 108.2° | 109.5° |
| C2 | C1 | O1 | 120.5° | 120.0° |
| C2 | C1 | N | 114.7° | 120.1° |
| H21 | C2 | H22 | 108.3° | 109.5° |
| H21 | C2 | H23 | 108.3° | 109.5° |
| H22 | C2 | H23 | 101.7° | 109.4° |
| O1 | C1 | N | 124.8° | 119.9° |
| C1 | N | CA | 124.3° | 120.1° |
| C1 | N | H | 111.4° | 119.9° |
| CA | N | H | 124.2° | 120.0° |
| N | CA | C | 108.6° | 109.4° |
| N | CA | CB | 109.9° | 109.5° |
| N | CA | HCA | 110.0° | 109.5° |
| C | CA | CB | 110.2° | 109.5° |
| C | CA | HCA | 109.7° | 109.5° |
| CA | C | O | 121.1° | 119.9° |
| CA | C | OXT | 118.2° | 120.0° |
| CB | CA | HCA | 108.4° | 109.5° |
| CA | CB | CG | 116.1° | 109.5° |
| CA | CB | HB2 | 109.8° | 109.5° |
| CA | CB | HB3 | 109.8° | 109.5° |
| O | C | OXT | 120.7° | 120.0° |
| C | OXT | HXT | 118.2° | 120.0° |
| CG | CB | HB2 | 109.8° | 109.5° |
| CG | CB | HB3 | 109.8° | 109.4° |
| CB | CG | CD | 112.5° | 109.5° |
| CB | CG | HG2 | 111.1° | 109.5° |
| CB | CG | HG3 | 111.1° | 109.4° |
| HB2 | CB | HB3 | 100.4° | 109.4° |
| CD | CG | HG2 | 111.1° | 109.5° |
| CD | CG | HG3 | 111.1° | 109.4° |
| CG | CD | CE | 112.8° | 109.5° |
| CG | CD | HD2 | 111.0° | 109.5° |
| CG | CD | HD3 | 111.0° | 109.5° |
| HG2 | CG | HG3 | 99.2° | 109.5° |
| CE | CD | HD2 | 111.0° | 109.5° |
| CE | CD | HD3 | 111.0° | 109.4° |
| CD | CE | NZ | 110.7° | 109.5° |
| CD | CE | HE2 | 111.8° | 109.4° |
| CD | CE | HE3 | 111.8° | 109.4° |
| HD2 | CD | HD3 | 99.4° | 109.4° |
| NZ | CE | HE2 | 111.8° | 109.5° |
| NZ | CE | HE3 | 111.8° | 109.5° |
| CE | NZ | CH | 123.3° | 120.1° |
| CE | NZ | HZ | 124.0° | 120.0° |
| HE2 | CE | HE3 | 98.6° | 109.4° |
| CH | NZ | HZ | 112.7° | 119.9° |
| NZ | CH | CH3 | 115.4° | 120.1° |
| NZ | CH | OH | 124.4° | 119.9° |
| CH | CH3 | HH31 | 115.4° | 109.5° |
| CH | CH3 | HH32 | 110.0° | 109.5° |
| CH | CH3 | HH33 | 110.0° | 109.4° |
| CH3 | CH | OH | 120.2° | 120.0° |
| HH31 | CH3 | HH32 | 110.0° | 109.5° |
| HH31 | CH3 | HH33 | 110.1° | 109.5° |
| HH32 | CH3 | HH33 | 100.2° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | H21 | H22 | 125.2° | 120.0° |
| C1 | C2 | H21 | H23 | 125.2° | 120.0° |
| C1 | C2 | H22 | H23 | 113.8° | 119.9° |
| C2 | C1 | O1 | N | 180.0° | 180.0° |
| C2 | C1 | N | CA | 178.6° | 180.0° |
| C2 | C1 | N | H | 1.4° | 0.0° |
| H21 | C2 | H22 | H23 | 114.0° | 120.0° |
| H21 | C2 | C1 | O1 | 180.0° | 0.0° |
| H21 | C2 | C1 | N | 0.0° | 180.0° |
| H22 | C2 | C1 | O1 | 54.7° | 120.1° |
| H22 | C2 | C1 | N | 125.3° | 60.0° |
| H23 | C2 | C1 | O1 | 54.7° | 120.0° |
| H23 | C2 | C1 | N | 125.2° | 59.9° |
| O1 | C1 | N | CA | 1.4° | 0.0° |
| O1 | C1 | N | H | 178.6° | 180.0° |
| C1 | N | CA | H | 180.0° | 180.0° |
| C1 | N | CA | C | 84.0° | 90.0° |
| C1 | N | CA | CB | 155.4° | 150.0° |
| C1 | N | CA | HCA | 36.0° | 30.0° |
| N | CA | C | CB | 120.5° | 120.0° |
| N | CA | C | HCA | 120.3° | 120.0° |
| N | CA | CB | HCA | 120.3° | 120.0° |
| N | CA | C | O | 46.8° | 150.0° |
| N | CA | C | OXT | 133.9° | 30.0° |
| N | CA | CB | CG | 78.1° | 60.0° |
| N | CA | CB | HB2 | 47.2° | 179.9° |
| N | CA | CB | HB3 | 156.7° | 60.0° |
| H | N | CA | C | 96.0° | 90.0° |
| H | N | CA | CB | 24.6° | 30.0° |
| H | N | CA | HCA | 143.9° | 150.0° |
| C | CA | CB | HCA | 120.0° | 120.0° |
| CA | C | O | OXT | 179.2° | 180.0° |
| C | CA | CB | CG | 162.3° | 180.0° |
| C | CA | CB | HB2 | 72.4° | 60.0° |
| C | CA | CB | HB3 | 37.0° | 60.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| CB | CA | C | O | 73.6° | 90.0° |
| CB | CA | C | OXT | 105.6° | 90.0° |
| CA | CB | CG | HB2 | 125.3° | 120.1° |
| CA | CB | CG | HB3 | 125.3° | 120.0° |
| CA | CB | HB2 | HB3 | 115.6° | 120.0° |
| CA | CB | CG | CD | 153.0° | 180.0° |
| CA | CB | CG | HG2 | 81.7° | 59.9° |
| CA | CB | CG | HG3 | 27.7° | 60.1° |
| HCA | CA | C | O | 167.1° | 30.0° |
| HCA | CA | C | OXT | 13.7° | 150.0° |
| HCA | CA | CB | CG | 42.2° | 60.0° |
| HCA | CA | CB | HB2 | 167.5° | 60.0° |
| HCA | CA | CB | HB3 | 83.0° | 180.0° |
| O | C | OXT | HXT | 0.7° | 0.0° |
| CG | CB | HB2 | HB3 | 115.6° | 120.0° |
| CB | CG | CD | HG2 | 125.2° | 120.1° |
| CB | CG | CD | HG3 | 125.3° | 119.9° |
| CB | CG | HG2 | HG3 | 116.9° | 120.0° |
| CB | CG | CD | CE | 108.7° | 180.0° |
| CB | CG | CD | HD2 | 126.0° | 59.9° |
| CB | CG | CD | HD3 | 16.5° | 60.0° |
| HB2 | CB | CG | CD | 27.8° | 60.0° |
| HB2 | CB | CG | HG2 | 153.0° | NaN° |
| HB2 | CB | CG | HG3 | 97.5° | 60.0° |
| HB3 | CB | CG | CD | 81.7° | 60.0° |
| HB3 | CB | CG | HG2 | 43.5° | 60.0° |
| HB3 | CB | CG | HG3 | 153.0° | 180.0° |
| CD | CG | HG2 | HG3 | 117.0° | 120.0° |
| CG | CD | CE | HD2 | 125.3° | 120.1° |
| CG | CD | CE | HD3 | 125.2° | 120.0° |
| CG | CD | HD2 | HD3 | 116.8° | 120.0° |
| CG | CD | CE | NZ | 170.7° | 180.0° |
| CG | CD | CE | HE2 | 45.4° | 59.9° |
| CG | CD | CE | HE3 | 64.0° | 60.0° |
| HG2 | CG | CD | CE | 16.5° | 59.9° |
| HG2 | CG | CD | HD2 | 108.7° | 180.0° |
| HG2 | CG | CD | HD3 | 141.8° | 60.1° |
| HG3 | CG | CD | CE | 126.1° | 60.0° |
| HG3 | CG | CD | HD2 | 0.8° | 60.0° |
| HG3 | CG | CD | HD3 | 108.7° | 179.9° |
| CE | CD | HD2 | HD3 | 116.9° | 119.9° |
| CD | CE | NZ | HE2 | 125.2° | 120.0° |
| CD | CE | NZ | HE3 | 125.3° | 120.0° |
| CD | CE | HE2 | HE3 | 117.7° | 119.9° |
| CD | CE | NZ | CH | 145.9° | 180.0° |
| CD | CE | NZ | HZ | 34.1° | 0.0° |
| HD2 | CD | CE | NZ | 64.0° | 59.9° |
| HD2 | CD | CE | HE2 | 170.7° | 180.0° |
| HD2 | CD | CE | HE3 | 61.3° | 60.1° |
| HD3 | CD | CE | NZ | 45.5° | 60.0° |
| HD3 | CD | CE | HE2 | 79.8° | 60.1° |
| HD3 | CD | CE | HE3 | 170.8° | 180.0° |
| NZ | CE | HE2 | HE3 | 117.7° | 120.0° |
| CE | NZ | CH | HZ | 180.0° | 180.0° |
| CE | NZ | CH | CH3 | 14.1° | 180.0° |
| CE | NZ | CH | OH | 165.7° | 0.0° |
| HE2 | CE | NZ | CH | 88.8° | 60.0° |
| HE2 | CE | NZ | HZ | 91.1° | 120.0° |
| HE3 | CE | NZ | CH | 20.6° | 60.0° |
| HE3 | CE | NZ | HZ | 159.4° | 120.0° |
| NZ | CH | CH3 | OH | 179.8° | 179.9° |
| NZ | CH | CH3 | HH31 | 180.0° | 180.0° |
| NZ | CH | CH3 | HH32 | 54.7° | 60.0° |
| NZ | CH | CH3 | HH33 | 54.7° | 60.0° |
| HZ | NZ | CH | CH3 | 165.8° | 0.0° |
| HZ | NZ | CH | OH | 14.3° | 180.0° |
| CH | CH3 | HH31 | HH32 | 125.2° | 120.1° |
| CH | CH3 | HH31 | HH33 | 125.3° | 120.0° |
| CH | CH3 | HH32 | HH33 | 115.8° | 119.9° |
| HH31 | CH3 | HH32 | HH33 | 115.9° | 120.0° |
| HH31 | CH3 | CH | OH | 0.2° | 0.1° |
| HH32 | CH3 | CH | OH | 125.4° | 119.9° |
| HH33 | CH3 | CH | OH | 125.1° | 120.1° |
