C68
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.25Å | |
| OE2 | CD | doub | 1.21Å | 1.25Å | |
| OXT | C | sing | 1.34Å | 1.26Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| CD | OE1 | sing | 1.34Å | 1.23Å | |
| CD | CG | sing | 1.51Å | 1.54Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| CB | CA | sing | 1.53Å | 1.56Å | |
| CA | N | sing | 1.46Å | 1.47Å | |
| OAF | CAR | doub | 1.22Å | 1.23Å | |
| N | CAR | sing | 1.35Å | 1.34Å | |
| CAB | CAS | sing | 1.53Å | 1.53Å | |
| CAR | OAN | sing | 1.35Å | 1.35Å | |
| CAL | CAS | sing | 1.53Å | 1.54Å | |
| CAL | CAU | sing | 1.53Å | 1.53Å | |
| CAS | CAA | sing | 1.53Å | 1.54Å | |
| OAN | CAU | sing | 1.45Å | 1.43Å | |
| CAU | CAQ | sing | 1.51Å | 1.54Å | |
| CAQ | OAI | doub | 1.21Å | 1.26Å | |
| CAQ | OAE | sing | 1.34Å | 1.25Å | |
| OE1 | H1 | sing | 0.97Å | 0.95Å | |
| CG | H2 | sing | 1.09Å | 1.10Å | |
| CG | H3 | sing | 1.09Å | 1.10Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CA | H6 | sing | 1.09Å | 1.10Å | |
| OXT | H7 | sing | 0.97Å | 0.95Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| CAU | H9 | sing | 1.09Å | 1.10Å | |
| OAE | H10 | sing | 0.97Å | 0.95Å | |
| CAL | H11 | sing | 1.09Å | 1.10Å | |
| CAL | H12 | sing | 1.09Å | 1.10Å | |
| CAS | H13 | sing | 1.09Å | 1.10Å | |
| CAB | H14 | sing | 1.09Å | 1.10Å | |
| CAB | H15 | sing | 1.09Å | 1.10Å | |
| CAB | H16 | sing | 1.09Å | 1.10Å | |
| CAA | H17 | sing | 1.09Å | 1.10Å | |
| CAA | H18 | sing | 1.09Å | 1.10Å | |
| CAA | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 125.9° | 120.0° |
| O | C | CA | 114.9° | 120.0° |
| OE2 | CD | OE1 | 124.6° | 120.1° |
| OE2 | CD | CG | 119.1° | 120.0° |
| OXT | C | CA | 119.0° | 120.0° |
| C | OXT | H7 | 109.5° | 117.0° |
| C | CA | CB | 109.3° | 109.5° |
| C | CA | N | 108.9° | 109.5° |
| C | CA | H6 | 108.9° | 109.5° |
| OE1 | CD | CG | 116.0° | 120.0° |
| CD | OE1 | H1 | 109.5° | 117.0° |
| CD | CG | CB | 112.6° | 109.5° |
| CD | CG | H2 | 108.7° | 109.5° |
| CD | CG | H3 | 108.7° | 109.5° |
| CG | CB | CA | 110.0° | 109.5° |
| CB | CG | H2 | 108.7° | 109.5° |
| CB | CG | H3 | 108.7° | 109.4° |
| CG | CB | H4 | 109.3° | 109.5° |
| CG | CB | H5 | 109.3° | 109.4° |
| CB | CA | N | 111.0° | 109.5° |
| CA | CB | H4 | 109.4° | 109.5° |
| CA | CB | H5 | 109.3° | 109.5° |
| CB | CA | H6 | 108.7° | 109.4° |
| CA | N | CAR | 121.5° | 120.0° |
| N | CA | H6 | 109.9° | 109.4° |
| CA | N | H8 | 119.3° | 120.0° |
| OAF | CAR | N | 120.0° | 120.0° |
| OAF | CAR | OAN | 123.3° | 120.0° |
| N | CAR | OAN | 116.6° | 120.0° |
| CAR | N | H8 | 119.2° | 120.0° |
| CAB | CAS | CAL | 108.6° | 109.5° |
| CAB | CAS | CAA | 109.4° | 109.5° |
| CAB | CAS | H13 | 109.5° | 109.5° |
| CAS | CAB | H14 | 109.5° | 109.5° |
| CAS | CAB | H15 | 109.4° | 109.5° |
| CAS | CAB | H16 | 109.5° | 109.5° |
| CAR | OAN | CAU | 122.7° | 117.0° |
| CAS | CAL | CAU | 112.8° | 109.5° |
| CAL | CAS | CAA | 110.9° | 109.5° |
| CAS | CAL | H11 | 108.6° | 109.4° |
| CAS | CAL | H12 | 108.6° | 109.4° |
| CAL | CAS | H13 | 109.3° | 109.5° |
| CAL | CAU | OAN | 107.9° | 109.5° |
| CAL | CAU | CAQ | 111.7° | 109.4° |
| CAL | CAU | H9 | 110.2° | 109.5° |
| CAU | CAL | H11 | 108.7° | 109.5° |
| CAU | CAL | H12 | 108.6° | 109.5° |
| CAA | CAS | H13 | 109.3° | 109.5° |
| CAS | CAA | H17 | 109.5° | 109.5° |
| CAS | CAA | H18 | 109.5° | 109.5° |
| CAS | CAA | H19 | 109.5° | 109.5° |
| OAN | CAU | CAQ | 105.1° | 109.5° |
| OAN | CAU | H9 | 111.7° | 109.4° |
| CAU | CAQ | OAI | 116.8° | 120.0° |
| CAU | CAQ | OAE | 116.4° | 120.0° |
| CAQ | CAU | H9 | 110.2° | 109.5° |
| OAI | CAQ | OAE | 126.7° | 120.0° |
| CAQ | OAE | H10 | 109.5° | 117.0° |
| H2 | CG | H3 | 109.5° | 109.4° |
| H4 | CB | H5 | 109.4° | 109.4° |
| H11 | CAL | H12 | 109.5° | 109.5° |
| H14 | CAB | H15 | 109.5° | 109.5° |
| H14 | CAB | H16 | 109.5° | 109.4° |
| H15 | CAB | H16 | 109.4° | 109.5° |
| H17 | CAA | H18 | 109.4° | 109.5° |
| H17 | CAA | H19 | 109.5° | 109.5° |
| H18 | CAA | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CA | 175.7° | 180.0° |
| O | C | CA | CB | 81.1° | 120.0° |
| O | C | CA | N | 157.4° | 0.0° |
| O | C | CA | H6 | 37.6° | 120.0° |
| O | C | OXT | H7 | 0.0° | 0.0° |
| OE2 | CD | OE1 | CG | 173.1° | 180.0° |
| OE2 | CD | CG | CB | 41.3° | 0.0° |
| OE2 | CD | OE1 | H1 | 0.0° | 0.0° |
| OE2 | CD | CG | H2 | 79.1° | 120.0° |
| OE2 | CD | CG | H3 | 161.8° | 120.0° |
| OXT | C | CA | CB | 102.7° | 60.0° |
| OXT | C | CA | N | 18.7° | 180.0° |
| OXT | C | CA | H6 | 138.6° | 60.0° |
| C | CA | CB | CG | 59.2° | 175.0° |
| C | CA | CB | N | 120.1° | 120.1° |
| C | CA | CB | H6 | 118.8° | 120.0° |
| C | CA | N | H6 | 119.3° | 120.0° |
| C | CA | N | CAR | 60.2° | 84.9° |
| C | CA | CB | H4 | 179.3° | 54.9° |
| C | CA | CB | H5 | 60.9° | 65.0° |
| CA | C | OXT | H7 | 175.7° | 180.0° |
| C | CA | N | H8 | 119.8° | 94.9° |
| OE1 | CD | CG | CB | 145.1° | 180.0° |
| OE1 | CD | CG | H2 | 94.4° | 60.0° |
| OE1 | CD | CG | H3 | 24.6° | 60.0° |
| CD | CG | CB | H2 | 120.5° | 120.0° |
| CD | CG | CB | H3 | 120.5° | 120.0° |
| CD | CG | CB | CA | 172.8° | 180.0° |
| CG | CD | OE1 | H1 | 173.1° | 180.0° |
| CD | CG | H2 | H3 | 118.6° | 120.0° |
| CD | CG | CB | H4 | 67.1° | 60.0° |
| CD | CG | CB | H5 | 52.7° | 60.0° |
| CG | CB | CA | H4 | 120.1° | 120.1° |
| CG | CB | CA | H5 | 120.1° | 120.0° |
| CG | CB | CA | N | 60.9° | 64.9° |
| CB | CG | H2 | H3 | 118.6° | 119.9° |
| CG | CB | H4 | H5 | 119.7° | 119.9° |
| CG | CB | CA | H6 | 178.0° | 55.0° |
| CB | CA | N | H6 | 120.3° | 119.9° |
| CB | CA | N | CAR | 179.4° | 155.0° |
| CA | CB | CG | H2 | 52.3° | 59.9° |
| CA | CB | CG | H3 | 66.7° | 60.0° |
| CA | CB | H4 | H5 | 119.7° | 120.0° |
| CB | CA | N | H8 | 0.6° | 25.1° |
| CA | N | CAR | OAF | 3.2° | 0.1° |
| CA | N | CAR | H8 | 180.0° | 179.9° |
| CA | N | CAR | OAN | 178.7° | 180.0° |
| N | CA | CB | H4 | 59.2° | 175.0° |
| N | CA | CB | H5 | 179.0° | 55.1° |
| OAF | CAR | N | OAN | 178.2° | 179.9° |
| OAF | CAR | OAN | CAU | 17.8° | 0.0° |
| OAF | CAR | N | H8 | 176.9° | 180.0° |
| N | CAR | OAN | CAU | 164.2° | 179.9° |
| CAR | N | CA | H6 | 59.1° | 35.1° |
| CAB | CAS | CAL | CAA | 120.2° | 120.0° |
| CAB | CAS | CAL | H13 | 119.3° | 120.0° |
| CAB | CAS | CAL | CAU | 179.1° | 174.1° |
| CAB | CAS | CAA | H13 | 119.8° | 120.0° |
| CAB | CAS | CAL | H11 | 60.4° | 54.1° |
| CAB | CAS | CAL | H12 | 58.6° | 65.9° |
| CAS | CAB | H14 | H15 | 120.0° | 120.0° |
| CAS | CAB | H14 | H16 | 120.0° | 120.0° |
| CAS | CAB | H15 | H16 | 120.0° | 120.0° |
| CAB | CAS | CAA | H17 | 180.0° | 180.0° |
| CAB | CAS | CAA | H18 | 60.0° | 60.0° |
| CAB | CAS | CAA | H19 | 60.0° | 60.0° |
| CAR | OAN | CAU | CAL | 80.3° | 150.0° |
| CAR | OAN | CAU | CAQ | 160.4° | 90.0° |
| OAN | CAR | N | H8 | 1.3° | 0.1° |
| CAR | OAN | CAU | H9 | 41.0° | 30.0° |
| CAS | CAL | CAU | H11 | 120.5° | 120.0° |
| CAS | CAL | CAU | H12 | 120.5° | 120.0° |
| CAL | CAS | CAA | H13 | 120.5° | 120.0° |
| CAS | CAL | CAU | OAN | 170.7° | 63.4° |
| CAS | CAL | CAU | CAQ | 55.8° | 176.6° |
| CAS | CAL | CAU | H9 | 67.1° | 56.6° |
| CAS | CAL | H11 | H12 | 118.5° | 119.9° |
| CAL | CAS | CAB | H14 | 180.0° | 176.6° |
| CAL | CAS | CAB | H15 | 60.0° | 63.4° |
| CAL | CAS | CAB | H16 | 60.0° | 56.6° |
| CAL | CAS | CAA | H17 | 60.3° | 60.0° |
| CAL | CAS | CAA | H18 | 59.7° | 180.0° |
| CAL | CAS | CAA | H19 | 179.7° | 60.0° |
| CAU | CAL | CAS | CAA | 58.9° | 65.8° |
| CAL | CAU | OAN | CAQ | 119.2° | 120.0° |
| CAL | CAU | OAN | H9 | 121.3° | 120.0° |
| CAL | CAU | CAQ | H9 | 122.8° | 120.1° |
| CAL | CAU | CAQ | OAI | 64.1° | 120.0° |
| CAL | CAU | CAQ | OAE | 118.1° | 60.1° |
| CAU | CAL | H11 | H12 | 118.5° | 120.0° |
| CAU | CAL | CAS | H13 | 61.6° | 54.1° |
| CAA | CAS | CAL | H11 | 179.4° | 174.1° |
| CAA | CAS | CAL | H12 | 61.6° | 54.1° |
| CAA | CAS | CAB | H14 | 58.9° | 56.6° |
| CAA | CAS | CAB | H15 | 61.1° | 176.6° |
| CAA | CAS | CAB | H16 | 178.9° | 63.4° |
| CAS | CAA | H17 | H18 | 120.0° | 120.0° |
| CAS | CAA | H17 | H19 | 120.0° | 120.0° |
| CAS | CAA | H18 | H19 | 120.0° | 120.0° |
| OAN | CAU | CAQ | H9 | 120.5° | 120.0° |
| OAN | CAU | CAQ | OAI | 52.6° | 0.0° |
| OAN | CAU | CAQ | OAE | 125.2° | 180.0° |
| OAN | CAU | CAL | H11 | 50.2° | 56.6° |
| OAN | CAU | CAL | H12 | 68.8° | 176.7° |
| CAU | CAQ | OAI | OAE | 177.5° | 180.0° |
| CAU | CAQ | OAE | H10 | 177.5° | 180.0° |
| CAQ | CAU | CAL | H11 | 64.7° | 63.4° |
| CAQ | CAU | CAL | H12 | 176.2° | 56.7° |
| OAI | CAQ | CAU | H9 | 173.0° | 119.9° |
| OAI | CAQ | OAE | H10 | 0.0° | 0.0° |
| OAE | CAQ | CAU | H9 | 4.7° | 60.0° |
| H2 | CG | CB | H4 | 172.5° | 180.0° |
| H2 | CG | CB | H5 | 67.7° | 60.1° |
| H3 | CG | CB | H4 | 53.4° | 60.1° |
| H3 | CG | CB | H5 | 173.2° | 180.0° |
| H4 | CB | CA | H6 | 61.9° | 65.1° |
| H5 | CB | CA | H6 | 58.0° | 175.0° |
| H6 | CA | N | H8 | 120.9° | 145.0° |
| H9 | CAU | CAL | H11 | 172.4° | 176.6° |
| H9 | CAU | CAL | H12 | 53.4° | 63.4° |
| H11 | CAL | CAS | H13 | 58.9° | 65.9° |
| H12 | CAL | CAS | H13 | 177.9° | 174.1° |
| H13 | CAS | CAB | H14 | 60.8° | 63.4° |
| H13 | CAS | CAB | H15 | 179.2° | 56.6° |
| H13 | CAS | CAB | H16 | 59.2° | 176.6° |
| H13 | CAS | CAA | H17 | 60.2° | 60.0° |
| H13 | CAS | CAA | H18 | 179.8° | 60.0° |
| H13 | CAS | CAA | H19 | 59.8° | 180.0° |
| H14 | CAB | H15 | H16 | 120.0° | 120.0° |
| H17 | CAA | H18 | H19 | 120.0° | 120.0° |
