LFU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CH3 | C | sing | 1.51Å | 1.53Å | |
| ND | C | sing | 1.35Å | 1.46Å | |
| ND | CA | sing | 1.46Å | 1.46Å | |
| C | O | doub | 1.21Å | 1.18Å | |
| CB | CA | sing | 1.53Å | 1.52Å | |
| CB | CC | sing | 1.53Å | 1.53Å | |
| CC | NAA | sing | 1.47Å | 1.45Å | |
| CA | H1 | sing | 1.09Å | 1.10Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| CB | H3 | sing | 1.09Å | 1.10Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| ND | H5 | sing | 0.97Å | 1.00Å | |
| CH3 | H6 | sing | 1.09Å | 1.10Å | |
| CH3 | H7 | sing | 1.09Å | 1.10Å | |
| CH3 | H8 | sing | 1.09Å | 1.10Å | |
| CC | H9 | sing | 1.09Å | 1.10Å | |
| CC | H10 | sing | 1.09Å | 1.10Å | |
| NAA | H11 | sing | 1.01Å | 1.00Å | |
| NAA | H12 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CH3 | C | ND | 124.6° | 120.0° |
| CH3 | C | O | 117.0° | 120.0° |
| C | CH3 | H6 | 109.5° | 109.4° |
| C | CH3 | H7 | 109.5° | 109.4° |
| C | CH3 | H8 | 109.5° | 109.4° |
| C | ND | CA | 119.7° | 120.0° |
| ND | C | O | 118.3° | 119.9° |
| C | ND | H5 | 120.1° | 120.0° |
| ND | CA | CB | 115.6° | 109.5° |
| ND | CA | H1 | 107.9° | 109.5° |
| ND | CA | H2 | 107.9° | 109.5° |
| CA | ND | H5 | 120.2° | 120.0° |
| CA | CB | CC | 111.3° | 109.5° |
| CB | CA | H1 | 107.9° | 109.4° |
| CB | CA | H2 | 107.9° | 109.5° |
| CA | CB | H3 | 109.0° | 109.5° |
| CA | CB | H4 | 109.0° | 109.4° |
| CB | CC | NAA | 111.2° | 109.5° |
| CC | CB | H3 | 109.0° | 109.5° |
| CC | CB | H4 | 109.0° | 109.5° |
| CB | CC | H9 | 109.0° | 109.5° |
| CB | CC | H10 | 109.0° | 109.5° |
| NAA | CC | H9 | 109.1° | 109.5° |
| NAA | CC | H10 | 109.0° | 109.4° |
| CC | NAA | H11 | 109.5° | 111.0° |
| CC | NAA | H12 | 109.5° | 111.0° |
| H1 | CA | H2 | 109.4° | 109.4° |
| H3 | CB | H4 | 109.5° | 109.5° |
| H6 | CH3 | H7 | 109.5° | 109.5° |
| H6 | CH3 | H8 | 109.5° | 109.5° |
| H7 | CH3 | H8 | 109.5° | 109.5° |
| H9 | CC | H10 | 109.5° | 109.5° |
| H11 | NAA | H12 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CH3 | C | ND | O | 179.8° | 180.0° |
| CH3 | C | ND | CA | 178.1° | 180.0° |
| CH3 | C | ND | H5 | 2.0° | 0.0° |
| C | CH3 | H6 | H7 | 120.0° | 119.9° |
| C | CH3 | H6 | H8 | 120.0° | 120.0° |
| C | CH3 | H7 | H8 | 120.0° | 120.0° |
| C | ND | CA | H5 | 180.0° | 180.0° |
| C | ND | CA | CB | 96.0° | 180.0° |
| C | ND | CA | H1 | 143.1° | 60.0° |
| C | ND | CA | H2 | 24.9° | 60.0° |
| ND | C | CH3 | H6 | 179.8° | 180.0° |
| ND | C | CH3 | H7 | 60.2° | 60.0° |
| ND | C | CH3 | H8 | 59.7° | 60.0° |
| CA | ND | C | O | 2.2° | 0.0° |
| ND | CA | CB | H1 | 120.9° | 120.0° |
| ND | CA | CB | H2 | 120.9° | 120.1° |
| ND | CA | CB | CC | 143.1° | 180.0° |
| ND | CA | H1 | H2 | 117.2° | 120.0° |
| ND | CA | CB | H3 | 96.6° | 60.0° |
| ND | CA | CB | H4 | 22.8° | 60.0° |
| O | C | ND | H5 | 177.8° | 180.0° |
| O | C | CH3 | H6 | 0.0° | 0.0° |
| O | C | CH3 | H7 | 120.0° | 120.0° |
| O | C | CH3 | H8 | 120.0° | 120.0° |
| CA | CB | CC | H3 | 120.3° | 120.0° |
| CA | CB | CC | H4 | 120.3° | 120.0° |
| CA | CB | CC | NAA | 58.3° | 180.0° |
| CB | CA | H1 | H2 | 117.2° | 120.0° |
| CA | CB | H3 | H4 | 119.1° | 120.0° |
| CB | CA | ND | H5 | 84.0° | 0.1° |
| CA | CB | CC | H9 | 178.5° | 60.0° |
| CA | CB | CC | H10 | 62.0° | 60.1° |
| CB | CC | NAA | H9 | 120.2° | 120.0° |
| CB | CC | NAA | H10 | 120.2° | 120.0° |
| CC | CB | CA | H1 | 22.2° | 60.0° |
| CC | CB | CA | H2 | 96.0° | 59.9° |
| CC | CB | H3 | H4 | 119.2° | 120.0° |
| CB | CC | H9 | H10 | 119.2° | 120.0° |
| CB | CC | NAA | H11 | 180.0° | 56.0° |
| CB | CC | NAA | H12 | 60.0° | 180.0° |
| NAA | CC | CB | H3 | 62.0° | 60.0° |
| NAA | CC | CB | H4 | 178.5° | 60.0° |
| NAA | CC | H9 | H10 | 119.2° | 120.0° |
| CC | NAA | H11 | H12 | 120.0° | 124.0° |
| H1 | CA | CB | H3 | 142.5° | 60.0° |
| H1 | CA | CB | H4 | 98.1° | 180.0° |
| H1 | CA | ND | H5 | 36.9° | 120.0° |
| H2 | CA | CB | H3 | 24.3° | 180.0° |
| H2 | CA | CB | H4 | 143.7° | 60.1° |
| H2 | CA | ND | H5 | 155.1° | 120.0° |
| H3 | CB | CC | H9 | 58.2° | 180.0° |
| H3 | CB | CC | H10 | 177.7° | 59.9° |
| H4 | CB | CC | H9 | 61.2° | 60.0° |
| H4 | CB | CC | H10 | 58.3° | 180.0° |
| H6 | CH3 | H7 | H8 | 120.0° | 120.1° |
| H9 | CC | NAA | H11 | 59.8° | 64.0° |
| H9 | CC | NAA | H12 | 179.8° | 60.0° |
| H10 | CC | NAA | H11 | 59.7° | 176.0° |
| H10 | CC | NAA | H12 | 60.2° | 60.0° |
