LAY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CN | O | doub | 1.21Å | 1.22Å | |
| CN | CH3 | sing | 1.51Å | 1.51Å | |
| CN | N | sing | 1.35Å | 1.33Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| C | ON | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.36Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CG | CD1 | sing | 1.53Å | 1.52Å | |
| CG | CD2 | sing | 1.53Å | 1.52Å | |
| CH3 | HH31 | sing | 1.09Å | 1.10Å | |
| CH3 | HH32 | sing | 1.09Å | 1.10Å | |
| CH3 | HH33 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB1C | sing | 1.09Å | 1.10Å | |
| CB | HB2C | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CD1 | HD11 | sing | 1.09Å | 1.10Å | |
| CD1 | HD12 | sing | 1.09Å | 1.10Å | |
| CD1 | HD13 | sing | 1.09Å | 1.10Å | |
| CD2 | HD21 | sing | 1.09Å | 1.10Å | |
| CD2 | HD22 | sing | 1.09Å | 1.10Å | |
| CD2 | HD23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | CN | CH3 | 120.5° | 120.1° |
| O | CN | N | 123.0° | 120.0° |
| CH3 | CN | N | 116.2° | 120.0° |
| CN | CH3 | HH31 | 109.5° | 109.5° |
| CN | CH3 | HH32 | 109.5° | 109.5° |
| CN | CH3 | HH33 | 109.4° | 109.5° |
| CN | N | CA | 121.7° | 120.0° |
| CN | N | H | 119.1° | 120.0° |
| N | CA | C | 111.2° | 109.4° |
| N | CA | CB | 110.5° | 109.5° |
| CA | N | H | 119.1° | 120.0° |
| N | CA | HA | 108.9° | 109.5° |
| C | CA | CB | 110.1° | 109.5° |
| CA | C | ON | 120.8° | 120.0° |
| CA | C | OXT | 122.0° | 120.0° |
| C | CA | HA | 108.0° | 109.5° |
| CA | CB | CG | 116.3° | 109.5° |
| CB | CA | HA | 108.0° | 109.5° |
| CA | CB | HB1C | 107.7° | 109.5° |
| CA | CB | HB2C | 107.7° | 109.5° |
| ON | C | OXT | 115.4° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| CB | CG | CD1 | 110.7° | 109.5° |
| CB | CG | CD2 | 110.7° | 109.5° |
| CG | CB | HB1C | 107.7° | 109.5° |
| CG | CB | HB2C | 107.7° | 109.4° |
| CB | CG | HG | 108.1° | 109.4° |
| CD1 | CG | CD2 | 110.8° | 109.5° |
| CD1 | CG | HG | 108.2° | 109.5° |
| CG | CD1 | HD11 | 109.5° | 109.5° |
| CG | CD1 | HD12 | 109.5° | 109.5° |
| CG | CD1 | HD13 | 109.5° | 109.5° |
| CD2 | CG | HG | 108.2° | 109.5° |
| CG | CD2 | HD21 | 109.5° | 109.4° |
| CG | CD2 | HD22 | 109.5° | 109.4° |
| CG | CD2 | HD23 | 109.5° | 109.5° |
| HH31 | CH3 | HH32 | 109.5° | 109.5° |
| HH31 | CH3 | HH33 | 109.5° | 109.4° |
| HH32 | CH3 | HH33 | 109.5° | 109.5° |
| HB1C | CB | HB2C | 109.5° | 109.5° |
| HD11 | CD1 | HD12 | 109.5° | 109.5° |
| HD11 | CD1 | HD13 | 109.5° | 109.4° |
| HD12 | CD1 | HD13 | 109.5° | 109.5° |
| HD21 | CD2 | HD22 | 109.4° | 109.5° |
| HD21 | CD2 | HD23 | 109.4° | 109.5° |
| HD22 | CD2 | HD23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | CN | CH3 | N | 173.4° | 179.7° |
| O | CN | N | CA | 10.4° | 0.1° |
| O | CN | CH3 | HH31 | 0.0° | 0.0° |
| O | CN | CH3 | HH32 | 120.0° | 120.0° |
| O | CN | CH3 | HH33 | 120.0° | 120.0° |
| O | CN | N | H | 169.7° | 180.0° |
| CH3 | CN | N | CA | 162.8° | 179.8° |
| CN | CH3 | HH31 | HH32 | 120.0° | 120.0° |
| CN | CH3 | HH31 | HH33 | 120.0° | 120.0° |
| CN | CH3 | HH32 | HH33 | 120.0° | 120.0° |
| CH3 | CN | N | H | 17.2° | 0.3° |
| CN | N | CA | H | 180.0° | 179.9° |
| CN | N | CA | C | 94.6° | 85.1° |
| CN | N | CA | CB | 142.8° | 155.0° |
| N | CN | CH3 | HH31 | 173.3° | 179.7° |
| N | CN | CH3 | HH32 | 66.6° | 59.7° |
| N | CN | CH3 | HH33 | 53.4° | 60.3° |
| CN | N | CA | HA | 24.3° | 34.9° |
| N | CA | C | CB | 122.8° | 119.9° |
| N | CA | C | HA | 119.4° | 120.0° |
| N | CA | CB | HA | 119.0° | 120.1° |
| N | CA | C | ON | 16.7° | 0.0° |
| N | CA | C | OXT | 178.9° | 180.0° |
| N | CA | CB | CG | 92.5° | 63.4° |
| N | CA | CB | HB1C | 28.5° | 56.6° |
| N | CA | CB | HB2C | 146.5° | 176.6° |
| C | CA | CB | HA | 117.8° | 120.0° |
| CA | C | ON | OXT | 165.3° | 180.0° |
| C | CA | CB | CG | 144.3° | 176.7° |
| C | CA | N | H | 85.4° | 95.1° |
| C | CA | CB | HB1C | 94.7° | 63.3° |
| C | CA | CB | HB2C | 23.3° | 56.7° |
| CA | C | OXT | HXT | 165.1° | 180.0° |
| CB | CA | C | ON | 106.1° | 119.9° |
| CB | CA | C | OXT | 58.2° | 60.1° |
| CA | CB | CG | HB1C | 121.0° | 120.1° |
| CA | CB | CG | HB2C | 121.0° | 120.0° |
| CA | CB | CG | CD1 | 39.1° | 174.2° |
| CA | CB | CG | CD2 | 162.3° | 65.8° |
| CB | CA | N | H | 37.2° | 24.9° |
| CA | CB | HB1C | HB2C | 116.9° | 120.0° |
| CA | CB | CG | HG | 79.3° | 54.2° |
| ON | C | CA | HA | 136.2° | 120.0° |
| ON | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA | 59.5° | 60.0° |
| CB | CG | CD1 | CD2 | 123.2° | 120.0° |
| CB | CG | CD1 | HG | 118.3° | 119.9° |
| CB | CG | CD2 | HG | 118.3° | 120.0° |
| CG | CB | CA | HA | 26.5° | 56.6° |
| CG | CB | HB1C | HB2C | 116.9° | 120.0° |
| CB | CG | CD1 | HD11 | 180.0° | 62.8° |
| CB | CG | CD1 | HD12 | 60.0° | 57.2° |
| CB | CG | CD1 | HD13 | 60.0° | 177.2° |
| CB | CG | CD2 | HD21 | 180.0° | 60.0° |
| CB | CG | CD2 | HD22 | 60.0° | 180.0° |
| CB | CG | CD2 | HD23 | 60.0° | 60.0° |
| CD1 | CG | CD2 | HG | 118.5° | 120.0° |
| CD1 | CG | CB | HB1C | 81.9° | 54.1° |
| CD1 | CG | CB | HB2C | 160.0° | 65.9° |
| CG | CD1 | HD11 | HD12 | 120.0° | 120.0° |
| CG | CD1 | HD11 | HD13 | 120.0° | 120.0° |
| CG | CD1 | HD12 | HD13 | 120.0° | 120.0° |
| CD1 | CG | CD2 | HD21 | 56.8° | 180.0° |
| CD1 | CG | CD2 | HD22 | 63.2° | 60.0° |
| CD1 | CG | CD2 | HD23 | 176.7° | 60.0° |
| CD2 | CG | CB | HB1C | 41.4° | 174.1° |
| CD2 | CG | CB | HB2C | 76.7° | 54.1° |
| CD2 | CG | CD1 | HD11 | 56.8° | 177.2° |
| CD2 | CG | CD1 | HD12 | 176.8° | 62.8° |
| CD2 | CG | CD1 | HD13 | 63.2° | 57.2° |
| CG | CD2 | HD21 | HD22 | 120.0° | 119.9° |
| CG | CD2 | HD21 | HD23 | 120.0° | 120.0° |
| CG | CD2 | HD22 | HD23 | 120.0° | 120.0° |
| HH31 | CH3 | HH32 | HH33 | 120.0° | 120.0° |
| H | N | CA | HA | 155.7° | 145.0° |
| HA | CA | CB | HB1C | 147.5° | 176.7° |
| HA | CA | CB | HB2C | 94.4° | 63.3° |
| HB1C | CB | CG | HG | 159.7° | 65.8° |
| HB2C | CB | CG | HG | 41.7° | 174.2° |
| HG | CG | CD1 | HD11 | 61.7° | 57.2° |
| HG | CG | CD1 | HD12 | 58.3° | 177.2° |
| HG | CG | CD1 | HD13 | 178.3° | 62.8° |
| HG | CG | CD2 | HD21 | 61.7° | 60.0° |
| HG | CG | CD2 | HD22 | 178.3° | 60.0° |
| HG | CG | CD2 | HD23 | 58.3° | 180.0° |
| HD11 | CD1 | HD12 | HD13 | 120.0° | 119.9° |
| HD21 | CD2 | HD22 | HD23 | 120.0° | 120.1° |
