JKU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| CAK | CAL | sing | 1.51Å | 1.41Å | |
| CAK | OAJ | sing | 1.45Å | 1.44Å | |
| CBF | NBG | sing | 1.46Å | 1.47Å | |
| CBF | CBE | sing | 1.51Å | 1.53Å | |
| OBV | CBE | doub | 1.21Å | 1.23Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| NBG | CBH | sing | 1.35Å | 1.34Å | |
| CAQ | CAL | doub | 1.38Å | 1.42Å | Aromatic |
| CAQ | CAP | sing | 1.38Å | 1.41Å | Aromatic |
| CAL | CAM | sing | 1.38Å | 1.41Å | Aromatic |
| OAJ | CAI | sing | 1.35Å | 1.38Å | |
| CBE | NBD | sing | 1.35Å | 1.35Å | |
| CB | CAF | sing | 1.53Å | 1.53Å | |
| N | CAB | sing | 1.35Å | 1.35Å | |
| CAM | CAN | doub | 1.38Å | 1.41Å | Aromatic |
| CAP | CAO | doub | 1.38Å | 1.41Å | Aromatic |
| N2 | C2 | sing | 1.37Å | 1.33Å | |
| N1 | C2 | doub | 1.31Å | 1.35Å | |
| N1 | C8A | sing | 1.35Å | 1.35Å | |
| CAI | OAR | doub | 1.22Å | 1.24Å | |
| CAI | NAH | sing | 1.35Å | 1.34Å | |
| C2 | N3 | sing | 1.36Å | 1.41Å | |
| N8 | C8A | doub | 1.33Å | 1.35Å | Aromatic |
| N8 | C7 | sing | 1.33Å | 1.36Å | Aromatic |
| C8A | C4A | sing | 1.42Å | 1.41Å | Aromatic |
| C7 | CBH | sing | 1.48Å | 1.40Å | |
| C7 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| CBH | OBU | doub | 1.22Å | 1.23Å | |
| CBB | CBC | doub | 1.38Å | 1.41Å | Aromatic |
| CBB | CBA | sing | 1.38Å | 1.41Å | Aromatic |
| N3 | C4 | sing | 1.35Å | 1.41Å | |
| C4A | C4 | sing | 1.48Å | 1.40Å | |
| C4A | N5 | doub | 1.33Å | 1.36Å | Aromatic |
| NAH | CAG | sing | 1.47Å | 1.48Å | |
| CAN | CAO | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| CAB | OAA | doub | 1.21Å | 1.23Å | |
| CAB | CAV | sing | 1.51Å | 1.54Å | |
| NBD | CAV | sing | 1.47Å | 1.47Å | |
| C6 | N5 | sing | 1.32Å | 1.42Å | Aromatic |
| CAF | CAG | sing | 1.53Å | 1.53Å | |
| CBC | CAX | sing | 1.38Å | 1.42Å | Aromatic |
| CBA | CAZ | doub | 1.38Å | 1.41Å | Aromatic |
| CAV | CAW | sing | 1.53Å | 1.54Å | |
| CAX | CAY | doub | 1.38Å | 1.42Å | Aromatic |
| CAX | CAW | sing | 1.51Å | 1.40Å | |
| CAZ | CAY | sing | 1.38Å | 1.42Å | Aromatic |
| CAM | H1 | sing | 1.08Å | 1.08Å | |
| CAN | H2 | sing | 1.08Å | 1.08Å | |
| CAO | H3 | sing | 1.08Å | 1.08Å | |
| CAP | H4 | sing | 1.08Å | 1.08Å | |
| CAQ | H5 | sing | 1.08Å | 1.08Å | |
| CAK | H6 | sing | 1.09Å | 1.10Å | |
| CAK | H7 | sing | 1.09Å | 1.10Å | |
| NAH | H8 | sing | 0.97Å | 1.00Å | |
| CAG | H9 | sing | 1.09Å | 1.10Å | |
| CAG | H10 | sing | 1.09Å | 1.10Å | |
| CAF | H11 | sing | 1.09Å | 1.10Å | |
| CAF | H12 | sing | 1.09Å | 1.10Å | |
| CB | H13 | sing | 1.09Å | 1.10Å | |
| CB | H14 | sing | 1.09Å | 1.10Å | |
| CA | H15 | sing | 1.09Å | 1.10Å | |
| OXT | H16 | sing | 0.97Å | 0.95Å | |
| N | H17 | sing | 0.97Å | 1.00Å | |
| CAV | H18 | sing | 1.09Å | 1.10Å | |
| CAW | H19 | sing | 1.09Å | 1.10Å | |
| CAW | H20 | sing | 1.09Å | 1.10Å | |
| CAY | H21 | sing | 1.08Å | 1.08Å | |
| CAZ | H22 | sing | 1.08Å | 1.08Å | |
| CBA | H23 | sing | 1.08Å | 1.08Å | |
| CBB | H24 | sing | 1.08Å | 1.08Å | |
| CBC | H25 | sing | 1.08Å | 1.08Å | |
| NBD | H26 | sing | 0.97Å | 1.00Å | |
| CBF | H27 | sing | 1.09Å | 1.10Å | |
| CBF | H28 | sing | 1.09Å | 1.10Å | |
| NBG | H29 | sing | 0.97Å | 1.00Å | |
| N2 | H30 | sing | 0.97Å | 1.00Å | |
| N2 | H31 | sing | 0.97Å | 1.00Å | |
| N3 | H32 | sing | 0.97Å | 1.00Å | |
| C6 | H33 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 116.6° | 120.0° |
| O | C | OXT | 125.9° | 120.0° |
| CA | C | OXT | 117.1° | 120.0° |
| C | CA | CB | 109.5° | 109.5° |
| C | CA | N | 110.0° | 109.5° |
| C | CA | H15 | 106.7° | 109.4° |
| C | OXT | H16 | 109.5° | 117.0° |
| CAL | CAK | OAJ | 111.4° | 109.5° |
| CAK | CAL | CAQ | 119.4° | 120.0° |
| CAK | CAL | CAM | 119.5° | 120.0° |
| CAL | CAK | H6 | 109.0° | 109.5° |
| CAL | CAK | H7 | 109.0° | 109.5° |
| CAK | OAJ | CAI | 118.2° | 117.0° |
| OAJ | CAK | H6 | 109.0° | 109.5° |
| OAJ | CAK | H7 | 109.0° | 109.5° |
| NBG | CBF | CBE | 114.4° | 109.4° |
| CBF | NBG | CBH | 124.7° | 120.0° |
| NBG | CBF | H27 | 108.2° | 109.5° |
| NBG | CBF | H28 | 108.2° | 109.5° |
| CBF | NBG | H29 | 117.6° | 120.0° |
| CBF | CBE | OBV | 120.2° | 120.0° |
| CBF | CBE | NBD | 113.9° | 120.0° |
| CBE | CBF | H27 | 108.2° | 109.5° |
| CBE | CBF | H28 | 108.2° | 109.5° |
| OBV | CBE | NBD | 125.9° | 120.0° |
| CB | CA | N | 116.2° | 109.5° |
| CA | CB | CAF | 114.1° | 109.5° |
| CA | CB | H13 | 108.3° | 109.5° |
| CA | CB | H14 | 108.3° | 109.4° |
| CB | CA | H15 | 106.6° | 109.5° |
| CA | N | CAB | 124.9° | 120.0° |
| N | CA | H15 | 107.4° | 109.5° |
| CA | N | H17 | 117.6° | 120.0° |
| NBG | CBH | C7 | 113.4° | 120.0° |
| NBG | CBH | OBU | 125.2° | 120.0° |
| CBH | NBG | H29 | 117.6° | 120.0° |
| CAL | CAQ | CAP | 119.3° | 120.0° |
| CAQ | CAL | CAM | 121.1° | 120.0° |
| CAL | CAQ | H5 | 120.4° | 120.0° |
| CAQ | CAP | CAO | 119.6° | 120.0° |
| CAQ | CAP | H4 | 120.2° | 120.0° |
| CAP | CAQ | H5 | 120.4° | 120.0° |
| CAL | CAM | CAN | 119.2° | 120.0° |
| CAL | CAM | H1 | 120.4° | 120.0° |
| OAJ | CAI | OAR | 122.0° | 120.0° |
| OAJ | CAI | NAH | 118.1° | 120.0° |
| CBE | NBD | CAV | 125.7° | 120.0° |
| CBE | NBD | H26 | 117.2° | 120.0° |
| CB | CAF | CAG | 110.6° | 109.5° |
| CB | CAF | H11 | 109.2° | 109.5° |
| CB | CAF | H12 | 109.2° | 109.5° |
| CAF | CB | H13 | 108.3° | 109.5° |
| CAF | CB | H14 | 108.3° | 109.5° |
| N | CAB | OAA | 123.8° | 120.1° |
| N | CAB | CAV | 118.0° | 119.9° |
| CAB | N | H17 | 117.6° | 120.1° |
| CAM | CAN | CAO | 120.0° | 120.0° |
| CAN | CAM | H1 | 120.4° | 120.0° |
| CAM | CAN | H2 | 120.0° | 120.0° |
| CAP | CAO | CAN | 120.9° | 120.0° |
| CAP | CAO | H3 | 119.6° | 120.0° |
| CAO | CAP | H4 | 120.2° | 120.0° |
| N2 | C2 | N1 | 119.9° | 118.4° |
| N2 | C2 | N3 | 120.0° | 118.4° |
| C2 | N2 | H30 | 120.0° | 120.0° |
| C2 | N2 | H31 | 120.0° | 120.0° |
| C2 | N1 | C8A | 121.5° | 121.7° |
| N1 | C2 | N3 | 120.0° | 123.2° |
| N1 | C8A | N8 | 119.3° | 121.3° |
| N1 | C8A | C4A | 121.3° | 119.2° |
| OAR | CAI | NAH | 119.9° | 120.0° |
| CAI | NAH | CAG | 123.9° | 120.0° |
| CAI | NAH | H8 | 118.0° | 120.0° |
| C2 | N3 | C4 | 119.6° | 120.4° |
| C2 | N3 | H32 | 120.2° | 119.8° |
| C8A | N8 | C7 | 122.6° | 119.6° |
| N8 | C8A | C4A | 119.3° | 119.5° |
| N8 | C7 | CBH | 119.4° | 119.7° |
| N8 | C7 | C6 | 119.7° | 120.5° |
| C8A | C4A | C4 | 118.2° | 118.0° |
| C8A | C4A | N5 | 119.3° | 120.3° |
| CBH | C7 | C6 | 120.8° | 119.7° |
| C7 | CBH | OBU | 121.4° | 120.0° |
| C7 | C6 | N5 | 118.0° | 120.4° |
| C7 | C6 | H33 | 121.0° | 119.9° |
| CBC | CBB | CBA | 119.6° | 120.0° |
| CBB | CBC | CAX | 119.9° | 120.0° |
| CBC | CBB | H24 | 120.2° | 120.0° |
| CBB | CBC | H25 | 120.0° | 120.0° |
| CBB | CBA | CAZ | 121.2° | 120.0° |
| CBB | CBA | H23 | 119.4° | 120.0° |
| CBA | CBB | H24 | 120.2° | 120.0° |
| N3 | C4 | C4A | 119.3° | 117.5° |
| N3 | C4 | O4 | 118.4° | 121.3° |
| C4 | N3 | H32 | 120.2° | 119.8° |
| C4 | C4A | N5 | 122.4° | 121.7° |
| C4A | C4 | O4 | 122.2° | 121.2° |
| C4A | N5 | C6 | 121.0° | 119.7° |
| NAH | CAG | CAF | 111.6° | 109.5° |
| CAG | NAH | H8 | 118.1° | 120.0° |
| NAH | CAG | H9 | 108.9° | 109.5° |
| NAH | CAG | H10 | 108.9° | 109.4° |
| CAO | CAN | H2 | 120.0° | 120.0° |
| CAN | CAO | H3 | 119.6° | 120.0° |
| OAA | CAB | CAV | 118.2° | 120.0° |
| CAB | CAV | NBD | 110.7° | 109.4° |
| CAB | CAV | CAW | 121.9° | 109.5° |
| CAB | CAV | H18 | 101.9° | 109.5° |
| NBD | CAV | CAW | 114.6° | 109.5° |
| NBD | CAV | H18 | 102.5° | 109.5° |
| CAV | NBD | H26 | 117.1° | 120.0° |
| N5 | C6 | H33 | 121.0° | 119.8° |
| CAF | CAG | H9 | 108.9° | 109.5° |
| CAF | CAG | H10 | 108.9° | 109.5° |
| CAG | CAF | H11 | 109.2° | 109.5° |
| CAG | CAF | H12 | 109.2° | 109.4° |
| CBC | CAX | CAY | 120.1° | 120.0° |
| CBC | CAX | CAW | 120.8° | 120.0° |
| CAX | CBC | H25 | 120.0° | 120.0° |
| CBA | CAZ | CAY | 119.3° | 120.0° |
| CBA | CAZ | H22 | 120.4° | 120.0° |
| CAZ | CBA | H23 | 119.4° | 120.0° |
| CAV | CAW | CAX | 118.6° | 109.5° |
| CAW | CAV | H18 | 101.9° | 109.5° |
| CAV | CAW | H19 | 107.2° | 109.5° |
| CAV | CAW | H20 | 107.1° | 109.5° |
| CAY | CAX | CAW | 118.9° | 120.0° |
| CAX | CAY | CAZ | 119.8° | 120.0° |
| CAX | CAY | H21 | 120.1° | 120.0° |
| CAX | CAW | H19 | 107.1° | 109.5° |
| CAX | CAW | H20 | 107.2° | 109.4° |
| CAZ | CAY | H21 | 120.1° | 120.0° |
| CAY | CAZ | H22 | 120.3° | 120.0° |
| H6 | CAK | H7 | 109.5° | 109.5° |
| H9 | CAG | H10 | 109.5° | 109.5° |
| H11 | CAF | H12 | 109.5° | 109.4° |
| H13 | CB | H14 | 109.4° | 109.4° |
| H19 | CAW | H20 | 109.5° | 109.4° |
| H27 | CBF | H28 | 109.5° | 109.5° |
| H30 | N2 | H31 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 172.9° | 179.9° |
| O | C | CA | CB | 83.5° | 120.0° |
| O | C | CA | N | 147.6° | 0.0° |
| O | C | CA | H15 | 31.5° | 120.0° |
| O | C | OXT | H16 | 0.0° | 0.1° |
| C | CA | CB | N | 125.4° | 120.0° |
| C | CA | CB | H15 | 115.0° | 119.9° |
| C | CA | N | H15 | 115.7° | 120.0° |
| C | CA | CB | CAF | 68.1° | 175.0° |
| C | CA | N | CAB | 175.0° | 85.0° |
| C | CA | CB | H13 | 52.6° | 54.9° |
| C | CA | CB | H14 | 171.2° | 65.0° |
| CA | C | OXT | H16 | 172.1° | 180.0° |
| C | CA | N | H17 | 5.0° | 95.1° |
| OXT | C | CA | CB | 89.3° | 60.0° |
| OXT | C | CA | N | 39.5° | 180.0° |
| OXT | C | CA | H15 | 155.6° | 60.0° |
| CAL | CAK | OAJ | H6 | 120.3° | 120.0° |
| CAL | CAK | OAJ | H7 | 120.3° | 120.0° |
| CAK | CAL | CAQ | CAM | 178.8° | 179.4° |
| CAK | CAL | CAQ | CAP | 178.7° | 180.0° |
| CAL | CAK | OAJ | CAI | 93.7° | 180.0° |
| CAK | CAL | CAM | CAN | 178.3° | 180.0° |
| CAK | CAL | CAM | H1 | 1.7° | 0.3° |
| CAK | CAL | CAQ | H5 | 1.3° | 0.6° |
| CAL | CAK | H6 | H7 | 119.1° | 120.0° |
| OAJ | CAK | CAL | CAQ | 79.7° | 90.0° |
| OAJ | CAK | CAL | CAM | 101.4° | 90.6° |
| CAK | OAJ | CAI | OAR | 11.3° | 0.0° |
| CAK | OAJ | CAI | NAH | 169.5° | 180.0° |
| OAJ | CAK | H6 | H7 | 119.1° | 120.0° |
| NBG | CBF | CBE | H27 | 120.7° | 120.0° |
| NBG | CBF | CBE | H28 | 120.7° | 120.0° |
| NBG | CBF | CBE | OBV | 86.3° | 0.0° |
| CBF | NBG | CBH | H29 | 180.0° | 179.9° |
| NBG | CBF | CBE | NBD | 94.1° | 180.0° |
| CBF | NBG | CBH | C7 | 171.4° | 180.0° |
| CBF | NBG | CBH | OBU | 8.9° | 0.0° |
| NBG | CBF | H27 | H28 | 117.8° | 120.0° |
| CBF | CBE | OBV | NBD | 179.5° | 180.0° |
| CBE | CBF | NBG | CBH | 59.3° | 180.0° |
| CBF | CBE | NBD | CAV | 174.4° | 180.0° |
| CBF | CBE | NBD | H26 | 5.6° | 0.1° |
| CBE | CBF | H27 | H28 | 117.8° | 120.0° |
| CBE | CBF | NBG | H29 | 120.8° | 0.1° |
| OBV | CBE | NBD | CAV | 5.1° | 0.0° |
| OBV | CBE | NBD | H26 | 174.9° | 180.0° |
| OBV | CBE | CBF | H27 | 34.4° | 120.0° |
| OBV | CBE | CBF | H28 | 153.0° | 120.0° |
| CB | CA | N | H15 | 119.2° | 120.0° |
| CA | CB | CAF | H13 | 120.7° | 120.0° |
| CA | CB | CAF | H14 | 120.7° | 120.0° |
| CB | CA | N | CAB | 49.9° | 155.0° |
| CA | CB | CAF | CAG | 172.7° | 180.0° |
| CA | CB | CAF | H11 | 52.5° | 60.0° |
| CA | CB | CAF | H12 | 67.2° | 60.0° |
| CA | CB | H13 | H14 | 117.9° | 119.9° |
| CB | CA | N | H17 | 130.1° | 24.9° |
| N | CA | CB | CAF | 57.2° | 65.0° |
| CA | N | CAB | H17 | 180.0° | 179.9° |
| CA | N | CAB | OAA | 7.1° | 0.1° |
| CA | N | CAB | CAV | 174.3° | 180.0° |
| N | CA | CB | H13 | 177.9° | 174.9° |
| N | CA | CB | H14 | 63.5° | 55.0° |
| NBG | CBH | C7 | N8 | 76.4° | 0.0° |
| NBG | CBH | C7 | OBU | 179.8° | 180.0° |
| NBG | CBH | C7 | C6 | 108.7° | 180.0° |
| CBH | NBG | CBF | H27 | 180.0° | 60.0° |
| CBH | NBG | CBF | H28 | 61.5° | 60.0° |
| CAL | CAQ | CAP | H5 | 180.0° | 179.4° |
| CAQ | CAL | CAM | CAN | 0.5° | 0.6° |
| CAL | CAQ | CAP | CAO | 0.1° | 0.3° |
| CAQ | CAL | CAM | H1 | 179.4° | 179.7° |
| CAL | CAQ | CAP | H4 | 179.9° | 179.7° |
| CAQ | CAL | CAK | H6 | 159.9° | 150.0° |
| CAQ | CAL | CAK | H7 | 40.5° | 30.0° |
| CAP | CAQ | CAL | CAM | 0.1° | 0.6° |
| CAQ | CAP | CAO | H4 | 180.0° | 179.9° |
| CAQ | CAP | CAO | CAN | 0.5° | 0.1° |
| CAQ | CAP | CAO | H3 | 179.5° | 180.0° |
| CAL | CAM | CAN | H1 | 180.0° | 179.7° |
| CAL | CAM | CAN | CAO | 0.9° | 0.3° |
| CAL | CAM | CAN | H2 | 179.1° | 179.7° |
| CAM | CAL | CAQ | H5 | 179.8° | 180.0° |
| CAM | CAL | CAK | H6 | 18.9° | 29.4° |
| CAM | CAL | CAK | H7 | 138.3° | 149.4° |
| OAJ | CAI | OAR | NAH | 179.1° | 179.9° |
| OAJ | CAI | NAH | CAG | 178.7° | 180.0° |
| CAI | OAJ | CAK | H6 | 26.6° | 60.0° |
| CAI | OAJ | CAK | H7 | 146.0° | 60.0° |
| OAJ | CAI | NAH | H8 | 1.4° | 0.1° |
| CBE | NBD | CAV | CAB | 62.0° | 155.0° |
| CBE | NBD | CAV | H26 | 180.0° | 180.0° |
| CBE | NBD | CAV | CAW | 80.4° | 85.0° |
| CBE | NBD | CAV | H18 | 170.1° | 35.0° |
| NBD | CBE | CBF | H27 | 145.2° | 60.0° |
| NBD | CBE | CBF | H28 | 26.6° | 60.0° |
| CB | CAF | CAG | NAH | 65.5° | 180.0° |
| CB | CAF | CAG | H11 | 120.2° | 120.1° |
| CB | CAF | CAG | H12 | 120.2° | 120.0° |
| CB | CAF | CAG | H9 | 174.2° | 60.0° |
| CB | CAF | CAG | H10 | 54.8° | 60.0° |
| CB | CAF | H11 | H12 | 119.5° | 120.0° |
| CAF | CB | H13 | H14 | 117.9° | 120.0° |
| CAF | CB | CA | H15 | 176.8° | 55.0° |
| N | CAB | OAA | CAV | 178.6° | 180.0° |
| N | CAB | CAV | NBD | 92.5° | 180.0° |
| N | CAB | CAV | CAW | 46.8° | 60.0° |
| CAB | N | CA | H15 | 69.3° | 34.9° |
| N | CAB | CAV | H18 | 159.1° | 60.0° |
| CAM | CAN | CAO | CAP | 0.9° | 0.1° |
| CAM | CAN | CAO | H2 | 180.0° | 179.9° |
| CAM | CAN | CAO | H3 | 179.1° | 180.0° |
| CAP | CAO | CAN | H3 | 180.0° | 179.9° |
| CAP | CAO | CAN | H2 | 179.1° | 180.0° |
| CAO | CAP | CAQ | H5 | 179.9° | 179.7° |
| N2 | C2 | N1 | N3 | 177.3° | 179.8° |
| N2 | C2 | N1 | C8A | 177.3° | 179.7° |
| N2 | C2 | N3 | C4 | 177.4° | 180.0° |
| C2 | N2 | H30 | H31 | 180.0° | 180.0° |
| N2 | C2 | N3 | H32 | 2.6° | 0.0° |
| C2 | N1 | C8A | N8 | 177.4° | 180.0° |
| C2 | N1 | C8A | C4A | 0.3° | 0.0° |
| N1 | C2 | N3 | C4 | 0.1° | 0.2° |
| N1 | C2 | N2 | H30 | 0.0° | 179.8° |
| N1 | C2 | N2 | H31 | 180.0° | 0.3° |
| N1 | C2 | N3 | H32 | 179.9° | 179.8° |
| C8A | N1 | C2 | N3 | 0.1° | 0.1° |
| N1 | C8A | N8 | C4A | 177.1° | 180.0° |
| N1 | C8A | N8 | C7 | 176.8° | 180.0° |
| N1 | C8A | C4A | C4 | 0.8° | 0.2° |
| N1 | C8A | C4A | N5 | 177.1° | 180.0° |
| OAR | CAI | NAH | CAG | 0.5° | 0.1° |
| OAR | CAI | NAH | H8 | 179.5° | 180.0° |
| CAI | NAH | CAG | H8 | 180.0° | 179.9° |
| CAI | NAH | CAG | CAF | 114.1° | 180.0° |
| CAI | NAH | CAG | H9 | 125.5° | 60.0° |
| CAI | NAH | CAG | H10 | 6.2° | 60.0° |
| C2 | N3 | C4 | H32 | 180.0° | 180.0° |
| C2 | N3 | C4 | C4A | 0.6° | 0.5° |
| C2 | N3 | C4 | O4 | 178.0° | 180.0° |
| N3 | C2 | N2 | H30 | 177.3° | 0.0° |
| N3 | C2 | N2 | H31 | 2.7° | 179.9° |
| C8A | N8 | C7 | CBH | 175.1° | 179.9° |
| C8A | N8 | C7 | C6 | 0.1° | 0.0° |
| N8 | C8A | C4A | C4 | 177.9° | 179.7° |
| N8 | C8A | C4A | N5 | 0.0° | 0.0° |
| C7 | N8 | C8A | C4A | 0.3° | 0.0° |
| N8 | C7 | CBH | C6 | 174.9° | 179.9° |
| N8 | C7 | CBH | OBU | 103.8° | 180.0° |
| N8 | C7 | C6 | N5 | 0.9° | 0.0° |
| N8 | C7 | C6 | H33 | 179.1° | 180.0° |
| C8A | C4A | C4 | N3 | 0.9° | 0.5° |
| C8A | C4A | C4 | N5 | 177.9° | 179.8° |
| C8A | C4A | C4 | O4 | 177.6° | 180.0° |
| C8A | C4A | N5 | C6 | 0.8° | 0.0° |
| CBH | C7 | C6 | N5 | 175.7° | 179.9° |
| C7 | CBH | NBG | H29 | 8.6° | 0.0° |
| CBH | C7 | C6 | H33 | 4.3° | 0.0° |
| C6 | C7 | CBH | OBU | 71.1° | 0.1° |
| C7 | C6 | N5 | C4A | 1.2° | 0.0° |
| C7 | C6 | N5 | H33 | 180.0° | 180.0° |
| OBU | CBH | NBG | H29 | 171.2° | 180.0° |
| CBC | CBB | CBA | H24 | 180.0° | 179.4° |
| CBB | CBC | CAX | H25 | 180.0° | 179.9° |
| CBC | CBB | CBA | CAZ | 0.2° | 0.9° |
| CBB | CBC | CAX | CAY | 0.3° | 0.0° |
| CBB | CBC | CAX | CAW | 174.3° | 179.7° |
| CBC | CBB | CBA | H23 | 179.8° | 180.0° |
| CBA | CBB | CBC | CAX | 0.1° | 0.6° |
| CBB | CBA | CAZ | H23 | 180.0° | 179.1° |
| CBB | CBA | CAZ | CAY | 0.5° | 0.5° |
| CBB | CBA | CAZ | H22 | 179.6° | 179.4° |
| CBA | CBB | CBC | H25 | 179.9° | 179.4° |
| N3 | C4 | C4A | O4 | 178.6° | 179.5° |
| N3 | C4 | C4A | N5 | 176.9° | 179.8° |
| C4 | C4A | N5 | C6 | 177.1° | 179.7° |
| C4A | C4 | N3 | H32 | 179.4° | 179.5° |
| N5 | C4A | C4 | O4 | 4.5° | 0.2° |
| C4A | N5 | C6 | H33 | 178.8° | 180.0° |
| NAH | CAG | CAF | H9 | 120.3° | 120.0° |
| NAH | CAG | CAF | H10 | 120.3° | 120.0° |
| NAH | CAG | H9 | H10 | 119.0° | 120.0° |
| NAH | CAG | CAF | H11 | 174.3° | 59.9° |
| NAH | CAG | CAF | H12 | 54.7° | 60.0° |
| CAO | CAN | CAM | H1 | 179.1° | 180.0° |
| CAN | CAO | CAP | H4 | 179.5° | 180.0° |
| O4 | C4 | N3 | H32 | 2.0° | 0.0° |
| OAA | CAB | CAV | NBD | 88.8° | 0.0° |
| OAA | CAB | CAV | CAW | 131.9° | 120.0° |
| OAA | CAB | N | H17 | 172.9° | 179.9° |
| OAA | CAB | CAV | H18 | 19.6° | 120.0° |
| CAB | CAV | NBD | CAW | 142.5° | 120.0° |
| CAB | CAV | NBD | H18 | 108.0° | 120.0° |
| CAB | CAV | CAW | H18 | 112.3° | 120.0° |
| CAB | CAV | CAW | CAX | 36.5° | 175.0° |
| CAV | CAB | N | H17 | 5.7° | 0.1° |
| CAB | CAV | CAW | H19 | 84.8° | 64.9° |
| CAB | CAV | CAW | H20 | 157.8° | 55.0° |
| CAB | CAV | NBD | H26 | 117.9° | 25.0° |
| NBD | CAV | CAW | H18 | 109.8° | 120.0° |
| NBD | CAV | CAW | CAX | 101.4° | 65.0° |
| NBD | CAV | CAW | H19 | 137.3° | 55.0° |
| NBD | CAV | CAW | H20 | 19.9° | 175.0° |
| CAF | CAG | NAH | H8 | 65.8° | 0.0° |
| CAF | CAG | H9 | H10 | 119.0° | 120.1° |
| CAG | CAF | H11 | H12 | 119.4° | 119.9° |
| CAG | CAF | CB | H13 | 66.6° | 60.0° |
| CAG | CAF | CB | H14 | 52.0° | 60.0° |
| CBC | CAX | CAW | CAV | 88.6° | 90.3° |
| CBC | CAX | CAY | CAW | 174.2° | 179.7° |
| CBC | CAX | CAY | CAZ | 0.0° | 0.4° |
| CBC | CAX | CAW | H19 | 150.1° | 149.7° |
| CBC | CAX | CAW | H20 | 32.7° | 29.7° |
| CBC | CAX | CAY | H21 | 180.0° | 179.8° |
| CAX | CBC | CBB | H24 | 179.8° | 180.0° |
| CBA | CAZ | CAY | CAX | 0.4° | 0.1° |
| CBA | CAZ | CAY | H22 | 180.0° | 180.0° |
| CBA | CAZ | CAY | H21 | 179.6° | 180.0° |
| CAZ | CBA | CBB | H24 | 179.8° | 179.7° |
| CAV | CAW | CAX | CAY | 97.3° | 90.1° |
| CAV | CAW | CAX | H19 | 121.3° | 120.1° |
| CAV | CAW | CAX | H20 | 121.3° | 120.0° |
| CAV | CAW | H19 | H20 | 115.9° | 120.0° |
| CAW | CAV | NBD | H26 | 99.6° | 95.0° |
| CAX | CAY | CAZ | H21 | 180.0° | 179.9° |
| CAY | CAX | CAW | H19 | 24.0° | 30.0° |
| CAY | CAX | CAW | H20 | 141.4° | 150.0° |
| CAX | CAY | CAZ | H22 | 179.7° | 179.9° |
| CAY | CAX | CBC | H25 | 179.8° | 179.9° |
| CAW | CAX | CAY | CAZ | 174.2° | 179.9° |
| CAX | CAW | CAV | H18 | 148.8° | 55.0° |
| CAX | CAW | H19 | H20 | 115.9° | 120.0° |
| CAW | CAX | CAY | H21 | 5.8° | 0.1° |
| CAW | CAX | CBC | H25 | 5.7° | 0.2° |
| CAY | CAZ | CBA | H23 | 179.5° | 179.6° |
| H1 | CAM | CAN | H2 | 1.0° | 0.0° |
| H2 | CAN | CAO | H3 | 1.0° | 0.1° |
| H3 | CAO | CAP | H4 | 0.5° | 0.1° |
| H4 | CAP | CAQ | H5 | 0.2° | 0.3° |
| H8 | NAH | CAG | H9 | 54.5° | 120.0° |
| H8 | NAH | CAG | H10 | 173.8° | 120.1° |
| H9 | CAG | CAF | H11 | 54.0° | 179.9° |
| H9 | CAG | CAF | H12 | 65.7° | 60.0° |
| H10 | CAG | CAF | H11 | 65.4° | 60.0° |
| H10 | CAG | CAF | H12 | 175.0° | 180.0° |
| H11 | CAF | CB | H13 | 173.2° | 180.0° |
| H11 | CAF | CB | H14 | 68.2° | 60.0° |
| H12 | CAF | CB | H13 | 53.5° | 60.0° |
| H12 | CAF | CB | H14 | 172.1° | NaN° |
| H13 | CB | CA | H15 | 62.5° | 65.0° |
| H14 | CB | CA | H15 | 56.1° | 175.0° |
| H15 | CA | N | H17 | 110.7° | 145.0° |
| H18 | CAV | CAW | H19 | 27.5° | 175.0° |
| H18 | CAV | CAW | H20 | 89.9° | 65.0° |
| H18 | CAV | NBD | H26 | 9.9° | 145.0° |
| H21 | CAY | CAZ | H22 | 0.3° | 0.1° |
| H22 | CAZ | CBA | H23 | 0.4° | 0.3° |
| H23 | CBA | CBB | H24 | 0.2° | 0.6° |
| H24 | CBB | CBC | H25 | 0.2° | 0.0° |
| H27 | CBF | NBG | H29 | 0.1° | 119.9° |
| H28 | CBF | NBG | H29 | 118.5° | 120.0° |
