28T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.22Å | |
| C | CAH | sing | 1.51Å | 1.55Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| CAL | CAF | sing | 1.55Å | 1.48Å | |
| CAL | NAS | sing | 1.48Å | 1.49Å | |
| N | CD | sing | 1.49Å | 1.50Å | |
| N | CA | sing | 1.49Å | 1.48Å | |
| CAI | CAH | sing | 1.53Å | 1.54Å | |
| CAI | CAP | sing | 1.51Å | 1.51Å | |
| CAF | CAK | sing | 1.55Å | 1.55Å | |
| CD | CG | sing | 1.54Å | 1.48Å | |
| CA | CB | sing | 1.54Å | 1.58Å | |
| NAS | CAP | sing | 1.35Å | 1.35Å | |
| NAS | CAR | sing | 1.47Å | 1.53Å | |
| CAP | OAC | doub | 1.21Å | 1.24Å | |
| CAK | CAR | sing | 1.54Å | 1.57Å | |
| CB | CG | sing | 1.54Å | 1.48Å | |
| OAA | CAN | doub | 1.21Å | 1.25Å | |
| CAR | CAN | sing | 1.51Å | 1.45Å | |
| CAN | OAD | sing | 1.34Å | 1.25Å | |
| OAD | H1 | sing | 0.97Å | 0.95Å | |
| CAR | H2 | sing | 1.09Å | 1.10Å | |
| CAK | H3 | sing | 1.09Å | 1.10Å | |
| CAK | H4 | sing | 1.09Å | 1.10Å | |
| CAF | H5 | sing | 1.09Å | 1.10Å | |
| CAF | H6 | sing | 1.09Å | 1.10Å | |
| CAL | H7 | sing | 1.09Å | 1.10Å | |
| CAL | H8 | sing | 1.09Å | 1.10Å | |
| CAI | H9 | sing | 1.09Å | 1.10Å | |
| CAI | H10 | sing | 1.09Å | 1.10Å | |
| CAH | H11 | sing | 1.09Å | 1.10Å | |
| CAH | H12 | sing | 1.09Å | 1.10Å | |
| CA | H13 | sing | 1.09Å | 1.10Å | |
| CB | H14 | sing | 1.09Å | 1.10Å | |
| CB | H15 | sing | 1.09Å | 1.10Å | |
| CG | H16 | sing | 1.09Å | 1.10Å | |
| CG | H17 | sing | 1.09Å | 1.10Å | |
| CD | H18 | sing | 1.09Å | 1.10Å | |
| CD | H19 | sing | 1.09Å | 1.10Å | |
| N | H20 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CAH | 115.3° | 120.0° |
| O | C | CA | 122.3° | 120.0° |
| CAH | C | CA | 120.9° | 120.0° |
| C | CAH | CAI | 108.8° | 109.5° |
| C | CAH | H11 | 109.6° | 109.5° |
| C | CAH | H12 | 109.6° | 109.4° |
| C | CA | N | 112.1° | 110.4° |
| C | CA | CB | 118.6° | 110.4° |
| C | CA | H13 | 107.2° | 110.3° |
| CAF | CAL | NAS | 108.3° | 104.8° |
| CAL | CAF | CAK | 103.3° | 101.6° |
| CAL | CAF | H5 | 111.0° | 111.0° |
| CAL | CAF | H6 | 111.0° | 111.0° |
| CAF | CAL | H7 | 109.8° | 110.3° |
| CAF | CAL | H8 | 109.8° | 110.4° |
| CAL | NAS | CAP | 130.9° | 125.6° |
| CAL | NAS | CAR | 107.9° | 108.5° |
| NAS | CAL | H7 | 109.8° | 110.4° |
| NAS | CAL | H8 | 109.7° | 110.3° |
| CD | N | CA | 105.2° | 104.2° |
| N | CD | CG | 110.2° | 104.6° |
| N | CD | H18 | 109.3° | 110.4° |
| N | CD | H19 | 109.3° | 110.5° |
| CD | N | H20 | 110.5° | 111.0° |
| N | CA | CB | 104.0° | 104.6° |
| N | CA | H13 | 107.8° | 110.5° |
| CA | N | H20 | 110.5° | 111.0° |
| CAH | CAI | CAP | 113.1° | 109.4° |
| CAH | CAI | H9 | 108.6° | 109.4° |
| CAH | CAI | H10 | 108.6° | 109.5° |
| CAI | CAH | H11 | 109.6° | 109.5° |
| CAI | CAH | H12 | 109.6° | 109.5° |
| CAI | CAP | NAS | 116.1° | 120.0° |
| CAI | CAP | OAC | 123.1° | 120.0° |
| CAP | CAI | H9 | 108.6° | 109.5° |
| CAP | CAI | H10 | 108.6° | 109.5° |
| CAF | CAK | CAR | 105.3° | 102.9° |
| CAF | CAK | H3 | 110.5° | 110.7° |
| CAF | CAK | H4 | 110.5° | 110.9° |
| CAK | CAF | H5 | 111.0° | 111.0° |
| CAK | CAF | H6 | 111.0° | 111.0° |
| CD | CG | CB | 100.9° | 105.0° |
| CD | CG | H16 | 111.5° | 110.4° |
| CD | CG | H17 | 111.6° | 110.4° |
| CG | CD | H18 | 109.3° | 110.4° |
| CG | CD | H19 | 109.3° | 110.4° |
| CA | CB | CG | 104.1° | 105.1° |
| CB | CA | H13 | 106.7° | 110.4° |
| CA | CB | H14 | 110.8° | 110.3° |
| CA | CB | H15 | 110.8° | 110.3° |
| CAP | NAS | CAR | 120.6° | 125.9° |
| NAS | CAP | OAC | 120.7° | 120.0° |
| NAS | CAR | CAK | 104.4° | 107.4° |
| NAS | CAR | CAN | 111.4° | 109.9° |
| NAS | CAR | H2 | 110.4° | 109.8° |
| CAK | CAR | CAN | 109.2° | 109.9° |
| CAK | CAR | H2 | 109.8° | 109.9° |
| CAR | CAK | H3 | 110.5° | 110.7° |
| CAR | CAK | H4 | 110.5° | 110.7° |
| CG | CB | H14 | 110.8° | 110.3° |
| CG | CB | H15 | 110.8° | 110.3° |
| CB | CG | H16 | 111.6° | 110.3° |
| CB | CG | H17 | 111.5° | 110.3° |
| OAA | CAN | CAR | 118.3° | 120.0° |
| OAA | CAN | OAD | 122.3° | 120.0° |
| CAR | CAN | OAD | 119.4° | 120.0° |
| CAN | CAR | H2 | 111.5° | 109.8° |
| CAN | OAD | H1 | 109.5° | 117.0° |
| H3 | CAK | H4 | 109.5° | 110.7° |
| H5 | CAF | H6 | 109.5° | 110.9° |
| H7 | CAL | H8 | 109.5° | 110.4° |
| H9 | CAI | H10 | 109.5° | 109.5° |
| H11 | CAH | H12 | 109.5° | 109.4° |
| H14 | CB | H15 | 109.5° | 110.3° |
| H16 | CG | H17 | 109.5° | 110.3° |
| H18 | CD | H19 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CAH | CA | 166.5° | 180.0° |
| O | C | CA | N | 35.5° | 10.2° |
| O | C | CAH | CAI | 38.7° | 0.0° |
| O | C | CA | CB | 85.7° | 105.0° |
| O | C | CAH | H11 | 81.2° | 120.0° |
| O | C | CAH | H12 | 158.6° | 120.1° |
| O | C | CA | H13 | 153.6° | 132.7° |
| CAH | C | CA | N | 159.0° | 169.8° |
| C | CAH | CAI | H11 | 119.9° | 120.0° |
| C | CAH | CAI | H12 | 119.9° | 120.0° |
| C | CAH | CAI | CAP | 130.7° | 180.0° |
| CAH | C | CA | CB | 79.8° | 75.0° |
| C | CAH | CAI | H9 | 10.2° | 60.0° |
| C | CAH | CAI | H10 | 108.7° | 60.0° |
| C | CAH | H11 | H12 | 120.3° | 119.9° |
| CAH | C | CA | H13 | 40.9° | 47.3° |
| C | CA | N | CD | 143.3° | 158.2° |
| C | CA | N | CB | 129.2° | 118.8° |
| C | CA | N | H13 | 117.7° | 122.4° |
| CA | C | CAH | CAI | 127.8° | 180.0° |
| C | CA | CB | H13 | 121.0° | 122.3° |
| C | CA | CB | CG | 159.1° | 142.6° |
| CA | C | CAH | H11 | 112.3° | 60.0° |
| CA | C | CAH | H12 | 7.9° | 60.0° |
| C | CA | CB | H14 | 39.9° | 23.7° |
| C | CA | CB | H15 | 81.8° | 98.4° |
| C | CA | N | H20 | 24.0° | 38.7° |
| CAF | CAL | NAS | H7 | 119.8° | 118.8° |
| CAF | CAL | NAS | H8 | 119.8° | 118.8° |
| CAL | CAF | CAK | H5 | 119.0° | 118.1° |
| CAL | CAF | CAK | H6 | 119.0° | 118.1° |
| CAF | CAL | NAS | CAP | 150.2° | 155.9° |
| CAF | CAL | NAS | CAR | 21.4° | 24.2° |
| CAL | CAF | CAK | CAR | 31.0° | 35.5° |
| CAL | CAF | CAK | H3 | 150.3° | 82.8° |
| CAL | CAF | CAK | H4 | 88.4° | 153.9° |
| CAL | CAF | H5 | H6 | 122.9° | 123.8° |
| CAF | CAL | H7 | H8 | 120.5° | 122.3° |
| CAL | NAS | CAP | CAI | 9.2° | 0.0° |
| NAS | CAL | CAF | CAK | 32.5° | 37.1° |
| CAL | NAS | CAP | CAR | 170.7° | 179.9° |
| CAL | NAS | CAP | OAC | 174.9° | 180.0° |
| CAL | NAS | CAR | CAK | 1.0° | 1.2° |
| CAL | NAS | CAR | CAN | 116.7° | 118.3° |
| CAL | NAS | CAR | H2 | 118.9° | 120.7° |
| NAS | CAL | CAF | H5 | 86.5° | 155.2° |
| NAS | CAL | CAF | H6 | 151.5° | 81.0° |
| NAS | CAL | H7 | H8 | 120.5° | 122.3° |
| CD | N | CA | H20 | 119.3° | 119.5° |
| N | CD | CG | H18 | 120.1° | 118.8° |
| N | CD | CG | H19 | 120.1° | 118.9° |
| CD | N | CA | CB | 14.1° | 39.4° |
| N | CD | CG | CB | 31.5° | 23.9° |
| CD | N | CA | H13 | 99.0° | 79.4° |
| N | CD | CG | H16 | 87.1° | 95.0° |
| N | CD | CG | H17 | 150.0° | 142.8° |
| N | CD | H18 | H19 | 119.6° | 122.4° |
| CA | N | CD | CG | 10.4° | 39.5° |
| N | CA | CB | H13 | 113.8° | 118.9° |
| N | CA | CB | CG | 33.9° | 23.8° |
| N | CA | CB | H14 | 85.3° | 95.1° |
| N | CA | CB | H15 | 153.0° | 142.8° |
| CA | N | CD | H18 | 130.5° | 158.3° |
| CA | N | CD | H19 | 109.7° | 79.4° |
| CAH | CAI | CAP | H9 | 120.5° | 119.9° |
| CAH | CAI | CAP | H10 | 120.5° | 120.0° |
| CAH | CAI | CAP | NAS | 179.1° | 180.0° |
| CAH | CAI | CAP | OAC | 5.1° | 0.0° |
| CAH | CAI | H9 | H10 | 118.3° | 120.0° |
| CAI | CAH | H11 | H12 | 120.3° | 120.0° |
| CAI | CAP | NAS | OAC | 175.9° | 180.0° |
| CAI | CAP | NAS | CAR | 179.9° | 179.9° |
| CAP | CAI | H9 | H10 | 118.4° | 120.1° |
| CAP | CAI | CAH | H11 | 109.4° | 60.0° |
| CAP | CAI | CAH | H12 | 10.8° | 60.0° |
| CAF | CAK | CAR | NAS | 18.4° | 22.1° |
| CAF | CAK | CAR | H3 | 119.3° | 118.3° |
| CAF | CAK | CAR | H4 | 119.3° | 118.5° |
| CAF | CAK | CAR | CAN | 137.6° | 141.6° |
| CAF | CAK | CAR | H2 | 99.9° | 97.4° |
| CAF | CAK | H3 | H4 | 121.9° | 123.4° |
| CAK | CAF | H5 | H6 | 122.8° | 123.9° |
| CAK | CAF | CAL | H7 | 87.4° | 81.8° |
| CAK | CAF | CAL | H8 | 152.3° | 155.8° |
| CD | CG | CB | CA | 38.8° | 0.0° |
| CD | CG | CB | H16 | 118.6° | 118.9° |
| CD | CG | CB | H17 | 118.6° | 119.0° |
| CD | CG | CB | H14 | 80.3° | 118.9° |
| CD | CG | CB | H15 | 158.0° | 118.9° |
| CD | CG | H16 | H17 | 124.0° | 122.3° |
| CG | CD | H18 | H19 | 119.7° | 122.4° |
| CG | CD | N | H20 | 129.7° | 80.1° |
| CA | CB | CG | H14 | 119.2° | 118.9° |
| CA | CB | CG | H15 | 119.2° | 118.9° |
| CA | CB | H14 | H15 | 122.5° | 122.2° |
| CA | CB | CG | H16 | 79.7° | 118.9° |
| CA | CB | CG | H17 | 157.4° | 119.0° |
| CB | CA | N | H20 | 105.2° | 80.1° |
| CAP | NAS | CAR | CAK | 171.6° | 178.9° |
| CAP | NAS | CAR | CAN | 70.6° | 61.6° |
| CAP | NAS | CAR | H2 | 53.7° | 59.4° |
| CAP | NAS | CAL | H7 | 90.0° | 85.3° |
| CAP | NAS | CAL | H8 | 30.4° | 37.1° |
| NAS | CAP | CAI | H9 | 58.6° | 60.0° |
| NAS | CAP | CAI | H10 | 60.3° | 60.0° |
| CAR | NAS | CAP | OAC | 4.2° | 0.1° |
| NAS | CAR | CAK | CAN | 119.2° | 119.5° |
| NAS | CAR | CAK | H2 | 118.3° | 119.5° |
| NAS | CAR | CAN | OAA | 30.5° | 0.2° |
| NAS | CAR | CAN | H2 | 123.8° | 120.9° |
| NAS | CAR | CAN | OAD | 146.1° | 180.0° |
| NAS | CAR | CAK | H3 | 137.7° | 96.2° |
| NAS | CAR | CAK | H4 | 100.9° | 140.6° |
| CAR | NAS | CAL | H7 | 98.4° | 94.6° |
| CAR | NAS | CAL | H8 | 141.2° | 143.0° |
| OAC | CAP | CAI | H9 | 125.6° | 120.0° |
| OAC | CAP | CAI | H10 | 115.4° | 120.0° |
| CAK | CAR | CAN | OAA | 84.3° | 118.3° |
| CAK | CAR | CAN | H2 | 121.4° | 121.0° |
| CAK | CAR | CAN | OAD | 99.1° | 62.0° |
| CAR | CAK | H3 | H4 | 121.9° | 123.1° |
| CAR | CAK | CAF | H5 | 88.0° | 153.6° |
| CAR | CAK | CAF | H6 | 150.0° | 82.6° |
| CG | CB | CA | H13 | 80.0° | 95.1° |
| CG | CB | H14 | H15 | 122.4° | 122.2° |
| CB | CG | H16 | H17 | 124.0° | 122.1° |
| CB | CG | CD | H18 | 151.6° | 142.7° |
| CB | CG | CD | H19 | 88.6° | 95.0° |
| OAA | CAN | CAR | OAD | 176.6° | 179.8° |
| OAA | CAN | OAD | H1 | 0.0° | 0.0° |
| OAA | CAN | CAR | H2 | 154.3° | 120.7° |
| CAR | CAN | OAD | H1 | 176.5° | 179.8° |
| CAN | CAR | CAK | H3 | 103.1° | 23.3° |
| CAN | CAR | CAK | H4 | 18.3° | 99.8° |
| OAD | CAN | CAR | H2 | 22.4° | 59.0° |
| H2 | CAR | CAK | H3 | 19.4° | 144.3° |
| H2 | CAR | CAK | H4 | 140.8° | 21.2° |
| H3 | CAK | CAF | H5 | 31.3° | 35.2° |
| H3 | CAK | CAF | H6 | 90.7° | 159.1° |
| H4 | CAK | CAF | H5 | 152.7° | 88.0° |
| H4 | CAK | CAF | H6 | 30.7° | 35.8° |
| H5 | CAF | CAL | H7 | 153.7° | 36.3° |
| H5 | CAF | CAL | H8 | 33.3° | 86.0° |
| H6 | CAF | CAL | H7 | 31.6° | 160.1° |
| H6 | CAF | CAL | H8 | 88.7° | 37.7° |
| H9 | CAI | CAH | H11 | 130.1° | 180.0° |
| H9 | CAI | CAH | H12 | 109.7° | 60.0° |
| H10 | CAI | CAH | H11 | 11.1° | 60.0° |
| H10 | CAI | CAH | H12 | 131.4° | 180.0° |
| H13 | CA | CB | H14 | 160.9° | 146.0° |
| H13 | CA | CB | H15 | 39.2° | 23.8° |
| H13 | CA | N | H20 | 141.7° | 161.1° |
| H14 | CB | CG | H16 | 161.1° | 0.0° |
| H14 | CB | CG | H17 | 38.2° | 122.1° |
| H15 | CB | CG | H16 | 39.4° | 122.1° |
| H15 | CB | CG | H17 | 83.4° | 0.1° |
| H16 | CG | CD | H18 | 33.0° | 23.8° |
| H16 | CG | CD | H19 | 152.8° | 146.1° |
| H17 | CG | CD | H18 | 89.8° | 98.4° |
| H17 | CG | CD | H19 | 29.9° | 23.9° |
| H18 | CD | N | H20 | 110.2° | 38.7° |
| H19 | CD | N | H20 | 9.6° | 161.1° |
