66D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CE | CD | sing | 1.53Å | 1.42Å | |
| CD | CC | sing | 1.53Å | 1.40Å | |
| O | C | doub | 1.21Å | 1.24Å | |
| CC | CD2 | sing | 1.53Å | 1.63Å | |
| CC | CB | sing | 1.53Å | 1.50Å | |
| CB2 | CA | sing | 1.53Å | 1.55Å | |
| C | CA | sing | 1.51Å | 1.37Å | |
| CA | CB | sing | 1.53Å | 1.58Å | |
| CA | N | sing | 1.47Å | 1.41Å | |
| C | OXT | sing | 1.34Å | 1.35Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CC | H6 | sing | 1.09Å | 1.10Å | |
| CD2 | H7 | sing | 1.09Å | 1.10Å | |
| CD2 | H8 | sing | 1.09Å | 1.10Å | |
| CD2 | H9 | sing | 1.09Å | 1.10Å | |
| CD | H10 | sing | 1.09Å | 1.10Å | |
| CD | H11 | sing | 1.09Å | 1.10Å | |
| CE | H12 | sing | 1.09Å | 1.10Å | |
| CE | H13 | sing | 1.09Å | 1.10Å | |
| CE | H14 | sing | 1.09Å | 1.10Å | |
| CB2 | H15 | sing | 1.09Å | 1.10Å | |
| CB2 | H16 | sing | 1.09Å | 1.10Å | |
| CB2 | H17 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CE | CD | CC | 104.8° | 109.5° |
| CE | CD | H10 | 110.6° | 109.5° |
| CE | CD | H11 | 110.6° | 109.5° |
| CD | CE | H12 | 109.5° | 109.5° |
| CD | CE | H13 | 109.5° | 109.5° |
| CD | CE | H14 | 109.5° | 109.5° |
| CD | CC | CD2 | 97.8° | 109.5° |
| CD | CC | CB | 134.9° | 109.5° |
| CD | CC | H6 | 110.0° | 109.4° |
| CC | CD | H10 | 110.6° | 109.5° |
| CC | CD | H11 | 110.6° | 109.5° |
| O | C | CA | 121.1° | 120.0° |
| O | C | OXT | 122.8° | 120.0° |
| CD2 | CC | CB | 92.3° | 109.5° |
| CD2 | CC | H6 | 107.2° | 109.5° |
| CC | CD2 | H7 | 109.5° | 109.5° |
| CC | CD2 | H8 | 109.5° | 109.5° |
| CC | CD2 | H9 | 109.5° | 109.5° |
| CC | CB | CA | 102.4° | 109.5° |
| CC | CB | H4 | 111.2° | 109.5° |
| CC | CB | H5 | 111.2° | 109.5° |
| CB | CC | H6 | 108.6° | 109.5° |
| CB2 | CA | C | 110.9° | 109.5° |
| CB2 | CA | CB | 111.7° | 109.5° |
| CB2 | CA | N | 102.5° | 109.5° |
| CA | CB2 | H15 | 109.5° | 109.5° |
| CA | CB2 | H16 | 109.5° | 109.4° |
| CA | CB2 | H17 | 109.5° | 109.4° |
| C | CA | CB | 112.4° | 109.5° |
| C | CA | N | 121.0° | 109.5° |
| CA | C | OXT | 114.3° | 120.0° |
| CB | CA | N | 97.4° | 109.5° |
| CA | CB | H4 | 111.2° | 109.5° |
| CA | CB | H5 | 111.2° | 109.4° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.5° | 111.0° |
| H4 | CB | H5 | 109.4° | 109.5° |
| H7 | CD2 | H8 | 109.5° | 109.4° |
| H7 | CD2 | H9 | 109.4° | 109.5° |
| H8 | CD2 | H9 | 109.5° | 109.5° |
| H10 | CD | H11 | 109.5° | 109.5° |
| H12 | CE | H13 | 109.5° | 109.4° |
| H12 | CE | H14 | 109.4° | 109.5° |
| H13 | CE | H14 | 109.4° | 109.4° |
| H15 | CB2 | H16 | 109.5° | 109.5° |
| H15 | CB2 | H17 | 109.4° | 109.5° |
| H16 | CB2 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CE | CD | CC | H10 | 119.3° | 120.0° |
| CE | CD | CC | H11 | 119.3° | 120.0° |
| CE | CD | CC | CD2 | 79.2° | 61.2° |
| CE | CD | CC | CB | 179.6° | 178.8° |
| CE | CD | CC | H6 | 32.3° | 58.8° |
| CE | CD | H10 | H11 | 122.1° | 120.0° |
| CD | CE | H12 | H13 | 120.0° | 120.0° |
| CD | CE | H12 | H14 | 120.0° | 120.0° |
| CD | CE | H13 | H14 | 120.0° | 120.0° |
| CD | CC | CD2 | CB | 135.9° | 120.0° |
| CD | CC | CD2 | H6 | 113.8° | 120.0° |
| CD | CC | CB | H6 | 147.6° | 120.0° |
| CD | CC | CB | CA | 59.7° | 67.2° |
| CD | CC | CB | H4 | 178.6° | 52.8° |
| CD | CC | CB | H5 | 59.2° | 172.8° |
| CD | CC | CD2 | H7 | 180.0° | 174.8° |
| CD | CC | CD2 | H8 | 60.0° | 65.3° |
| CD | CC | CD2 | H9 | 60.0° | 54.8° |
| CC | CD | H10 | H11 | 122.2° | 120.0° |
| CC | CD | CE | H12 | 180.0° | 60.0° |
| CC | CD | CE | H13 | 60.0° | 60.0° |
| CC | CD | CE | H14 | 60.0° | 180.0° |
| O | C | CA | CB2 | 7.7° | 95.0° |
| O | C | CA | OXT | 165.5° | 180.0° |
| O | C | CA | CB | 118.1° | 25.0° |
| O | C | CA | N | 127.7° | 145.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| CD2 | CC | CB | H6 | 109.0° | 120.0° |
| CD2 | CC | CB | CA | 163.1° | 172.8° |
| CD2 | CC | CB | H4 | 78.0° | 67.2° |
| CD2 | CC | CB | H5 | 44.2° | 52.9° |
| CC | CD2 | H7 | H8 | 120.0° | 120.0° |
| CC | CD2 | H7 | H9 | 120.0° | 120.0° |
| CC | CD2 | H8 | H9 | 120.0° | 120.0° |
| CD2 | CC | CD | H10 | 40.1° | 178.7° |
| CD2 | CC | CD | H11 | 161.5° | 58.7° |
| CC | CB | CA | CB2 | 80.8° | 54.2° |
| CC | CB | CA | C | 44.6° | 174.2° |
| CC | CB | CA | H4 | 118.8° | 120.0° |
| CC | CB | CA | H5 | 118.9° | 120.0° |
| CC | CB | CA | N | 172.5° | 65.8° |
| CC | CB | H4 | H5 | 123.3° | 120.0° |
| CB | CC | CD2 | H7 | 44.1° | 54.8° |
| CB | CC | CD2 | H8 | 164.1° | 174.8° |
| CB | CC | CD2 | H9 | 75.9° | 65.2° |
| CB | CC | CD | H10 | 61.1° | 58.7° |
| CB | CC | CD | H11 | 60.4° | 61.3° |
| CB2 | CA | C | CB | 125.8° | 120.0° |
| CB2 | CA | C | N | 120.0° | 120.0° |
| CB2 | CA | CB | N | 106.7° | 120.0° |
| CB2 | CA | C | OXT | 157.8° | 85.0° |
| CB2 | CA | N | H | 180.0° | 56.0° |
| CB2 | CA | N | H2 | 60.0° | 180.0° |
| CB2 | CA | CB | H4 | 160.3° | 174.2° |
| CB2 | CA | CB | H5 | 38.1° | 65.8° |
| CA | CB2 | H15 | H16 | 120.0° | 120.0° |
| CA | CB2 | H15 | H17 | 120.0° | 120.0° |
| CA | CB2 | H16 | H17 | 120.0° | 119.9° |
| C | CA | CB | N | 127.9° | 120.0° |
| C | CA | N | H | 56.0° | 64.0° |
| C | CA | N | H2 | 176.0° | 60.0° |
| C | CA | CB | H4 | 74.3° | 65.8° |
| C | CA | CB | H5 | 163.4° | 54.2° |
| C | CA | CB2 | H15 | 180.0° | 56.6° |
| C | CA | CB2 | H16 | 60.0° | 63.5° |
| C | CA | CB2 | H17 | 60.0° | 176.6° |
| CA | C | OXT | HXT | 165.2° | 180.0° |
| CB | CA | C | OXT | 76.4° | 155.0° |
| CB | CA | N | H | 65.7° | 176.1° |
| CB | CA | N | H2 | 54.3° | 60.0° |
| CA | CB | H4 | H5 | 123.3° | 120.0° |
| CA | CB | CC | H6 | 87.9° | 52.8° |
| CB | CA | CB2 | H15 | 53.8° | 63.4° |
| CB | CA | CB2 | H16 | 66.2° | 176.6° |
| CB | CA | CB2 | H17 | 173.8° | 56.6° |
| N | CA | C | OXT | 37.7° | 35.1° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | H4 | 53.6° | 54.2° |
| N | CA | CB | H5 | 68.6° | 174.2° |
| N | CA | CB2 | H15 | 49.5° | 176.6° |
| N | CA | CB2 | H16 | 169.5° | 56.6° |
| N | CA | CB2 | H17 | 70.5° | 63.4° |
| H4 | CB | CC | H6 | 31.0° | 172.8° |
| H5 | CB | CC | H6 | 153.2° | 67.2° |
| H6 | CC | CD2 | H7 | 66.2° | 65.3° |
| H6 | CC | CD2 | H8 | 53.8° | 54.7° |
| H6 | CC | CD2 | H9 | 173.8° | 174.8° |
| H6 | CC | CD | H10 | 151.6° | 61.2° |
| H6 | CC | CD | H11 | 86.9° | 178.8° |
| H7 | CD2 | H8 | H9 | 119.9° | 120.0° |
| H10 | CD | CE | H12 | 60.8° | NaN° |
| H10 | CD | CE | H13 | 59.3° | 60.0° |
| H10 | CD | CE | H14 | 179.3° | 60.0° |
| H11 | CD | CE | H12 | 60.7° | 60.0° |
| H11 | CD | CE | H13 | 179.2° | 180.0° |
| H11 | CD | CE | H14 | 59.3° | 60.0° |
| H12 | CE | H13 | H14 | 119.9° | 120.0° |
| H15 | CB2 | H16 | H17 | 120.0° | 120.1° |
