1C4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O8A | P3B | doub | 1.48Å | 1.50Å | |
| P3B | O7A | sing | 1.61Å | 1.54Å | |
| P3B | O9A | sing | 1.61Å | 1.53Å | |
| P3B | O3B | sing | 1.61Å | 1.56Å | |
| O3B | C3B | sing | 1.43Å | 1.40Å | |
| O2B | C2B | sing | 1.43Å | 1.37Å | |
| C2A | N3A | doub | 1.32Å | 1.34Å | Aromatic |
| C2A | N1A | sing | 1.32Å | 1.33Å | Aromatic |
| C3B | C2B | sing | 1.55Å | 1.46Å | |
| C3B | C4B | sing | 1.55Å | 1.48Å | |
| N3A | C4A | sing | 1.33Å | 1.35Å | Aromatic |
| C2B | C1B | sing | 1.54Å | 1.48Å | |
| C1B | O4B | sing | 1.44Å | 1.40Å | |
| C1B | N9A | sing | 1.46Å | 1.47Å | |
| C4B | O4B | sing | 1.44Å | 1.44Å | |
| C4B | C5B | sing | 1.53Å | 1.47Å | |
| N1A | C6A | doub | 1.33Å | 1.35Å | Aromatic |
| C4A | N9A | sing | 1.37Å | 1.35Å | Aromatic |
| C4A | C5A | doub | 1.41Å | 1.39Å | Aromatic |
| N9A | C8A | sing | 1.36Å | 1.34Å | Aromatic |
| C6A | C5A | sing | 1.40Å | 1.39Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.43Å | |
| C5B | O5B | sing | 1.43Å | 1.38Å | |
| C5A | N7A | sing | 1.35Å | 1.36Å | Aromatic |
| C8A | N7A | doub | 1.30Å | 1.35Å | Aromatic |
| O5B | P1A | sing | 1.61Å | 1.59Å | |
| O2A | P1A | doub | 1.48Å | 1.51Å | |
| O1A | P1A | sing | 1.61Å | 1.53Å | |
| P1A | O3A | sing | 1.61Å | 1.60Å | |
| O4A | P2A | doub | 1.48Å | 1.53Å | |
| O3A | P2A | sing | 1.61Å | 1.61Å | |
| CEP | CBP | sing | 1.53Å | 1.53Å | |
| P2A | O6A | sing | 1.61Å | 1.59Å | |
| P2A | O5A | sing | 1.61Å | 1.52Å | |
| CCP | O6A | sing | 1.43Å | 1.39Å | |
| CCP | CBP | sing | 1.53Å | 1.49Å | |
| OAP | CAP | sing | 1.43Å | 1.38Å | |
| CBP | CAP | sing | 1.53Å | 1.56Å | |
| CBP | CDP | sing | 1.53Å | 1.56Å | |
| CAP | C9P | sing | 1.51Å | 1.54Å | |
| N8P | C9P | sing | 1.35Å | 1.45Å | |
| N8P | C7P | sing | 1.47Å | 1.46Å | |
| O5P | C5P | doub | 1.21Å | 1.23Å | |
| C9P | O9P | doub | 1.21Å | 1.24Å | |
| S1P | C2P | sing | 1.81Å | 1.79Å | |
| S1P | C8 | sing | 1.81Å | 1.81Å | |
| C7P | C6P | sing | 1.53Å | 1.52Å | |
| C5P | N4P | sing | 1.35Å | 1.45Å | |
| C5P | C6P | sing | 1.51Å | 1.50Å | |
| C2P | C3P | sing | 1.53Å | 1.47Å | |
| C3P | N4P | sing | 1.47Å | 1.44Å | |
| C8 | C7 | sing | 1.51Å | 1.53Å | |
| OE2 | CD | doub | 1.21Å | 1.26Å | |
| CG | CD | sing | 1.51Å | 1.51Å | |
| CG | CB | sing | 1.53Å | 1.52Å | |
| CD | OE1 | sing | 1.34Å | 1.27Å | |
| C7 | N2 | sing | 1.35Å | 1.45Å | |
| C7 | O7 | doub | 1.21Å | 1.22Å | |
| N2 | CA | sing | 1.46Å | 1.44Å | |
| CB | CA | sing | 1.53Å | 1.51Å | |
| CA | C | sing | 1.51Å | 1.48Å | |
| C | O | doub | 1.21Å | 1.28Å | |
| C | OXT | sing | 1.34Å | 1.28Å | |
| C2A | H1 | sing | 1.08Å | 1.08Å | |
| N6A | H2 | sing | 0.97Å | 1.00Å | |
| N6A | H3 | sing | 0.97Å | 1.00Å | |
| C8A | H4 | sing | 1.08Å | 1.08Å | |
| C1B | H5 | sing | 1.09Å | 1.10Å | |
| C2B | H6 | sing | 1.09Å | 1.10Å | |
| O2B | H7 | sing | 0.97Å | 0.95Å | |
| C3B | H8 | sing | 1.09Å | 1.10Å | |
| O7A | H9 | sing | 0.97Å | 0.95Å | |
| O9A | H10 | sing | 0.97Å | 0.95Å | |
| C4B | H11 | sing | 1.09Å | 1.10Å | |
| C5B | H12 | sing | 1.09Å | 1.10Å | |
| C5B | H13 | sing | 1.09Å | 1.10Å | |
| O1A | H14 | sing | 0.97Å | 0.95Å | |
| O5A | H15 | sing | 0.97Å | 0.95Å | |
| CCP | H16 | sing | 1.09Å | 1.10Å | |
| CCP | H17 | sing | 1.09Å | 1.10Å | |
| CDP | H18 | sing | 1.09Å | 1.10Å | |
| CDP | H19 | sing | 1.09Å | 1.10Å | |
| CDP | H20 | sing | 1.09Å | 1.10Å | |
| CEP | H21 | sing | 1.09Å | 1.10Å | |
| CEP | H22 | sing | 1.09Å | 1.10Å | |
| CEP | H23 | sing | 1.09Å | 1.10Å | |
| CAP | H24 | sing | 1.09Å | 1.10Å | |
| OAP | H25 | sing | 0.97Å | 0.95Å | |
| N8P | H26 | sing | 0.97Å | 1.00Å | |
| C7P | H27 | sing | 1.09Å | 1.10Å | |
| C7P | H28 | sing | 1.09Å | 1.10Å | |
| C6P | H29 | sing | 1.09Å | 1.10Å | |
| C6P | H30 | sing | 1.09Å | 1.10Å | |
| N4P | H31 | sing | 0.97Å | 1.00Å | |
| C3P | H32 | sing | 1.09Å | 1.10Å | |
| C3P | H33 | sing | 1.09Å | 1.10Å | |
| C2P | H34 | sing | 1.09Å | 1.10Å | |
| C2P | H35 | sing | 1.09Å | 1.10Å | |
| CA | H36 | sing | 1.09Å | 1.10Å | |
| OXT | H37 | sing | 0.97Å | 0.95Å | |
| CB | H38 | sing | 1.09Å | 1.10Å | |
| CB | H39 | sing | 1.09Å | 1.10Å | |
| CG | H40 | sing | 1.09Å | 1.10Å | |
| CG | H41 | sing | 1.09Å | 1.10Å | |
| OE1 | H42 | sing | 0.97Å | 0.95Å | |
| C8 | H43 | sing | 1.09Å | 1.10Å | |
| C8 | H44 | sing | 1.09Å | 1.10Å | |
| N2 | H45 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O8A | P3B | O7A | 108.2° | 109.5° |
| O8A | P3B | O9A | 111.2° | 109.5° |
| O8A | P3B | O3B | 108.1° | 109.5° |
| O7A | P3B | O9A | 110.4° | 109.4° |
| O7A | P3B | O3B | 109.4° | 109.5° |
| P3B | O7A | H9 | 109.5° | 114.0° |
| O9A | P3B | O3B | 109.5° | 109.5° |
| P3B | O9A | H10 | 109.5° | 114.0° |
| P3B | O3B | C3B | 123.5° | 123.0° |
| O3B | C3B | C2B | 103.9° | 110.5° |
| O3B | C3B | C4B | 112.7° | 110.5° |
| O3B | C3B | H8 | 112.3° | 110.6° |
| O2B | C2B | C3B | 109.9° | 110.6° |
| O2B | C2B | C1B | 106.9° | 110.5° |
| O2B | C2B | H6 | 112.8° | 110.5° |
| C2B | O2B | H7 | 109.5° | 114.0° |
| N3A | C2A | N1A | 121.5° | 122.4° |
| C2A | N3A | C4A | 120.4° | 120.7° |
| N3A | C2A | H1 | 119.3° | 118.8° |
| C2A | N1A | C6A | 120.3° | 121.2° |
| N1A | C2A | H1 | 119.2° | 118.8° |
| C2B | C3B | C4B | 105.2° | 104.1° |
| C3B | C2B | C1B | 104.3° | 104.1° |
| C3B | C2B | H6 | 111.4° | 110.5° |
| C2B | C3B | H8 | 111.4° | 110.5° |
| C3B | C4B | O4B | 107.5° | 104.8° |
| C3B | C4B | C5B | 115.2° | 110.4° |
| C4B | C3B | H8 | 111.0° | 110.5° |
| C3B | C4B | H11 | 108.9° | 110.4° |
| N3A | C4A | N9A | 135.4° | 134.9° |
| N3A | C4A | C5A | 119.8° | 119.1° |
| C2B | C1B | O4B | 107.1° | 104.8° |
| C2B | C1B | N9A | 109.8° | 110.4° |
| C2B | C1B | H5 | 107.5° | 110.5° |
| C1B | C2B | H6 | 111.0° | 110.5° |
| O4B | C1B | N9A | 116.0° | 110.3° |
| C1B | O4B | C4B | 107.8° | 105.3° |
| O4B | C1B | H5 | 108.5° | 110.3° |
| C1B | N9A | C4A | 120.1° | 126.3° |
| C1B | N9A | C8A | 128.2° | 126.3° |
| N9A | C1B | H5 | 107.7° | 110.4° |
| O4B | C4B | C5B | 106.5° | 110.3° |
| O4B | C4B | H11 | 109.5° | 110.4° |
| C4B | C5B | O5B | 116.3° | 109.5° |
| C5B | C4B | H11 | 109.1° | 110.4° |
| C4B | C5B | H12 | 107.7° | 109.5° |
| C4B | C5B | H13 | 107.7° | 109.5° |
| N1A | C6A | C5A | 120.1° | 118.5° |
| N1A | C6A | N6A | 121.0° | 120.7° |
| N9A | C4A | C5A | 104.8° | 106.0° |
| C4A | N9A | C8A | 111.7° | 107.4° |
| C4A | C5A | C6A | 118.0° | 118.2° |
| C4A | C5A | N7A | 107.9° | 107.1° |
| N9A | C8A | N7A | 106.6° | 110.0° |
| N9A | C8A | H4 | 126.7° | 125.0° |
| C5A | C6A | N6A | 118.9° | 120.8° |
| C6A | C5A | N7A | 134.1° | 134.7° |
| C6A | N6A | H2 | 109.5° | 120.0° |
| C6A | N6A | H3 | 109.5° | 120.0° |
| C5B | O5B | P1A | 122.4° | 123.0° |
| O5B | C5B | H12 | 107.7° | 109.4° |
| O5B | C5B | H13 | 107.8° | 109.5° |
| C5A | N7A | C8A | 109.0° | 109.5° |
| N7A | C8A | H4 | 126.7° | 125.0° |
| O5B | P1A | O2A | 110.1° | 109.5° |
| O5B | P1A | O1A | 108.3° | 109.4° |
| O5B | P1A | O3A | 113.7° | 109.4° |
| O2A | P1A | O1A | 106.8° | 109.5° |
| O2A | P1A | O3A | 111.0° | 109.5° |
| O1A | P1A | O3A | 106.7° | 109.5° |
| P1A | O1A | H14 | 109.5° | 114.0° |
| P1A | O3A | P2A | 127.3° | 134.0° |
| O4A | P2A | O3A | 109.5° | 109.5° |
| O4A | P2A | O6A | 106.1° | 109.5° |
| O4A | P2A | O5A | 112.5° | 109.5° |
| O3A | P2A | O6A | 108.8° | 109.5° |
| O3A | P2A | O5A | 111.3° | 109.5° |
| CEP | CBP | CCP | 110.0° | 109.5° |
| CEP | CBP | CAP | 112.0° | 109.4° |
| CEP | CBP | CDP | 109.7° | 109.5° |
| CBP | CEP | H21 | 109.5° | 109.5° |
| CBP | CEP | H22 | 109.5° | 109.5° |
| CBP | CEP | H23 | 109.5° | 109.5° |
| O6A | P2A | O5A | 108.4° | 109.5° |
| P2A | O6A | CCP | 119.0° | 123.0° |
| P2A | O5A | H15 | 109.5° | 114.0° |
| O6A | CCP | CBP | 114.0° | 109.5° |
| O6A | CCP | H16 | 108.3° | 109.5° |
| O6A | CCP | H17 | 108.4° | 109.4° |
| CCP | CBP | CAP | 106.5° | 109.5° |
| CCP | CBP | CDP | 108.0° | 109.5° |
| CBP | CCP | H16 | 108.3° | 109.5° |
| CBP | CCP | H17 | 108.3° | 109.5° |
| OAP | CAP | CBP | 111.0° | 109.5° |
| OAP | CAP | C9P | 104.5° | 109.5° |
| OAP | CAP | H24 | 109.7° | 109.5° |
| CAP | OAP | H25 | 109.5° | 114.0° |
| CAP | CBP | CDP | 110.6° | 109.5° |
| CBP | CAP | C9P | 116.3° | 109.5° |
| CBP | CAP | H24 | 107.4° | 109.5° |
| CBP | CDP | H18 | 109.5° | 109.5° |
| CBP | CDP | H19 | 109.5° | 109.4° |
| CBP | CDP | H20 | 109.4° | 109.5° |
| CAP | C9P | N8P | 115.0° | 120.0° |
| CAP | C9P | O9P | 122.3° | 120.0° |
| C9P | CAP | H24 | 107.7° | 109.5° |
| C9P | N8P | C7P | 117.0° | 120.0° |
| N8P | C9P | O9P | 122.8° | 120.0° |
| C9P | N8P | H26 | 121.5° | 120.0° |
| N8P | C7P | C6P | 113.8° | 109.4° |
| C7P | N8P | H26 | 121.5° | 120.0° |
| N8P | C7P | H27 | 108.4° | 109.5° |
| N8P | C7P | H28 | 108.4° | 109.5° |
| O5P | C5P | N4P | 121.5° | 120.0° |
| O5P | C5P | C6P | 122.6° | 120.1° |
| C2P | S1P | C8 | 108.3° | 103.0° |
| S1P | C2P | C3P | 115.1° | 109.5° |
| S1P | C2P | H34 | 108.1° | 109.5° |
| S1P | C2P | H35 | 108.1° | 109.5° |
| S1P | C8 | C7 | 112.1° | 109.5° |
| S1P | C8 | H43 | 108.8° | 109.5° |
| S1P | C8 | H44 | 108.8° | 109.5° |
| C7P | C6P | C5P | 115.4° | 109.4° |
| C6P | C7P | H27 | 108.4° | 109.5° |
| C6P | C7P | H28 | 108.4° | 109.4° |
| C7P | C6P | H29 | 108.0° | 109.5° |
| C7P | C6P | H30 | 108.0° | 109.5° |
| N4P | C5P | C6P | 115.9° | 119.9° |
| C5P | N4P | C3P | 119.7° | 120.0° |
| C5P | N4P | H31 | 120.2° | 120.0° |
| C5P | C6P | H29 | 107.9° | 109.5° |
| C5P | C6P | H30 | 108.0° | 109.4° |
| C2P | C3P | N4P | 113.4° | 109.5° |
| C2P | C3P | H32 | 108.5° | 109.4° |
| C2P | C3P | H33 | 108.5° | 109.4° |
| C3P | C2P | H34 | 108.0° | 109.5° |
| C3P | C2P | H35 | 108.0° | 109.4° |
| C3P | N4P | H31 | 120.1° | 120.0° |
| N4P | C3P | H32 | 108.5° | 109.5° |
| N4P | C3P | H33 | 108.5° | 109.5° |
| C8 | C7 | N2 | 118.7° | 120.0° |
| C8 | C7 | O7 | 119.2° | 120.0° |
| C7 | C8 | H43 | 108.8° | 109.4° |
| C7 | C8 | H44 | 108.8° | 109.4° |
| OE2 | CD | CG | 118.7° | 120.0° |
| OE2 | CD | OE1 | 120.6° | 120.0° |
| CD | CG | CB | 116.1° | 109.5° |
| CG | CD | OE1 | 120.7° | 120.0° |
| CD | CG | H40 | 107.8° | 109.5° |
| CD | CG | H41 | 107.8° | 109.5° |
| CG | CB | CA | 116.2° | 109.5° |
| CG | CB | H38 | 107.8° | 109.4° |
| CG | CB | H39 | 107.8° | 109.5° |
| CB | CG | H40 | 107.8° | 109.4° |
| CB | CG | H41 | 107.8° | 109.5° |
| CD | OE1 | H42 | 109.5° | 117.0° |
| N2 | C7 | O7 | 122.1° | 120.0° |
| C7 | N2 | CA | 122.6° | 120.0° |
| C7 | N2 | H45 | 118.7° | 120.0° |
| N2 | CA | CB | 108.9° | 109.5° |
| N2 | CA | C | 111.5° | 109.5° |
| N2 | CA | H36 | 109.9° | 109.5° |
| CA | N2 | H45 | 118.7° | 120.0° |
| CB | CA | C | 108.3° | 109.5° |
| CB | CA | H36 | 108.9° | 109.4° |
| CA | CB | H38 | 107.8° | 109.4° |
| CA | CB | H39 | 107.7° | 109.5° |
| CA | C | O | 119.9° | 120.0° |
| CA | C | OXT | 118.0° | 120.0° |
| C | CA | H36 | 109.3° | 109.5° |
| O | C | OXT | 122.1° | 120.0° |
| C | OXT | H37 | 109.5° | 117.0° |
| H2 | N6A | H3 | 109.5° | 120.0° |
| H12 | C5B | H13 | 109.4° | 109.4° |
| H16 | CCP | H17 | 109.5° | 109.5° |
| H18 | CDP | H19 | 109.5° | 109.5° |
| H18 | CDP | H20 | 109.5° | 109.5° |
| H19 | CDP | H20 | 109.5° | 109.4° |
| H21 | CEP | H22 | 109.5° | 109.4° |
| H21 | CEP | H23 | 109.5° | 109.5° |
| H22 | CEP | H23 | 109.5° | 109.4° |
| H27 | C7P | H28 | 109.5° | 109.5° |
| H29 | C6P | H30 | 109.5° | 109.6° |
| H32 | C3P | H33 | 109.5° | 109.5° |
| H34 | C2P | H35 | 109.5° | 109.5° |
| H38 | CB | H39 | 109.5° | 109.4° |
| H40 | CG | H41 | 109.5° | 109.4° |
| H43 | C8 | H44 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8A | P3B | O7A | O9A | 121.9° | 120.0° |
| O8A | P3B | O7A | O3B | 117.5° | 120.0° |
| O8A | P3B | O9A | O3B | 119.4° | 120.0° |
| O8A | P3B | O3B | C3B | 169.7° | 55.0° |
| O8A | P3B | O7A | H9 | 0.0° | 180.0° |
| O8A | P3B | O9A | H10 | 0.0° | 59.9° |
| O7A | P3B | O9A | O3B | 120.4° | 120.0° |
| O7A | P3B | O3B | C3B | 72.7° | 65.0° |
| O7A | P3B | O9A | H10 | 120.2° | 60.0° |
| O9A | P3B | O3B | C3B | 48.3° | 175.1° |
| O9A | P3B | O7A | H9 | 121.9° | 60.0° |
| P3B | O3B | C3B | C2B | 179.3° | 121.4° |
| P3B | O3B | C3B | C4B | 67.4° | 123.9° |
| P3B | O3B | C3B | H8 | 58.8° | 1.3° |
| O3B | P3B | O7A | H9 | 117.6° | 60.0° |
| O3B | P3B | O9A | H10 | 119.4° | 180.0° |
| O3B | C3B | C2B | O2B | 20.4° | 0.1° |
| O3B | C3B | C2B | C4B | 118.6° | 118.6° |
| O3B | C3B | C2B | H8 | 121.1° | 122.8° |
| O3B | C3B | C4B | H8 | 126.9° | 122.7° |
| O3B | C3B | C2B | C1B | 93.9° | 118.6° |
| O3B | C3B | C4B | O4B | 100.1° | 142.6° |
| O3B | C3B | C4B | C5B | 141.3° | 98.6° |
| O3B | C3B | C2B | H6 | 146.2° | 122.8° |
| O3B | C3B | C4B | H11 | 18.4° | 23.8° |
| O2B | C2B | C3B | C1B | 114.3° | 118.7° |
| O2B | C2B | C3B | H6 | 125.8° | 122.7° |
| O2B | C2B | C3B | C4B | 139.0° | 118.7° |
| O2B | C2B | C1B | H6 | 123.5° | 122.6° |
| O2B | C2B | C1B | O4B | 145.5° | 142.8° |
| O2B | C2B | C1B | N9A | 87.7° | 98.4° |
| O2B | C2B | C1B | H5 | 29.1° | 23.9° |
| O2B | C2B | C3B | H8 | 100.7° | 122.7° |
| N3A | C2A | N1A | H1 | 180.0° | 180.0° |
| N3A | C2A | N1A | C6A | 0.2° | 0.0° |
| C2A | N3A | C4A | N9A | 179.6° | 180.0° |
| C2A | N3A | C4A | C5A | 0.3° | 0.0° |
| N1A | C2A | N3A | C4A | 0.4° | 0.0° |
| C2A | N1A | C6A | C5A | 0.2° | 0.1° |
| C2A | N1A | C6A | N6A | 179.7° | 180.0° |
| C2B | C3B | C4B | H8 | 120.6° | 118.6° |
| C3B | C2B | C1B | H6 | 120.1° | 118.6° |
| C3B | C2B | C1B | O4B | 29.1° | 24.0° |
| C3B | C2B | C1B | N9A | 155.8° | 142.8° |
| C2B | C3B | C4B | O4B | 12.4° | 24.0° |
| C2B | C3B | C4B | C5B | 106.2° | 142.8° |
| C3B | C2B | C1B | H5 | 87.3° | 94.9° |
| C3B | C2B | O2B | H7 | 180.0° | 176.2° |
| C2B | C3B | C4B | H11 | 130.9° | 94.9° |
| C4B | C3B | C2B | C1B | 24.6° | 0.0° |
| C3B | C4B | O4B | C1B | 5.8° | 40.5° |
| C3B | C4B | O4B | C5B | 124.0° | 118.8° |
| C3B | C4B | O4B | H11 | 118.2° | 118.9° |
| C3B | C4B | C5B | H11 | 122.8° | 122.3° |
| C3B | C4B | C5B | O5B | 172.8° | 175.0° |
| C4B | C3B | C2B | H6 | 95.2° | 118.6° |
| C3B | C4B | C5B | H12 | 66.2° | 55.0° |
| C3B | C4B | C5B | H13 | 51.8° | 65.0° |
| N3A | C4A | N9A | C1B | 1.5° | 0.1° |
| N3A | C4A | N9A | C5A | 179.4° | 179.9° |
| N3A | C4A | N9A | C8A | 179.8° | 180.0° |
| N3A | C4A | C5A | C6A | 0.0° | 0.0° |
| N3A | C4A | C5A | N7A | 179.9° | 180.0° |
| C4A | N3A | C2A | H1 | 179.6° | 180.0° |
| C2B | C1B | O4B | N9A | 123.0° | 118.8° |
| C2B | C1B | O4B | H5 | 115.7° | 118.9° |
| C2B | C1B | N9A | H5 | 116.7° | 122.4° |
| C2B | C1B | O4B | C4B | 21.6° | 40.5° |
| C2B | C1B | N9A | C4A | 127.1° | 88.1° |
| C2B | C1B | N9A | C8A | 51.4° | 91.8° |
| C1B | C2B | O2B | H7 | 67.3° | 61.5° |
| C1B | C2B | C3B | H8 | 145.0° | 118.6° |
| O4B | C1B | N9A | H5 | 121.7° | 122.2° |
| C1B | O4B | C4B | C5B | 129.7° | 159.3° |
| O4B | C1B | N9A | C4A | 111.4° | 156.5° |
| O4B | C1B | N9A | C8A | 70.2° | 23.6° |
| O4B | C1B | C2B | H6 | 91.0° | 94.6° |
| C1B | O4B | C4B | H11 | 112.4° | 78.3° |
| N9A | C1B | O4B | C4B | 144.6° | 159.4° |
| C1B | N9A | C4A | C8A | 178.7° | 179.9° |
| C1B | N9A | C4A | C5A | 179.2° | 180.0° |
| C1B | N9A | C8A | N7A | 178.8° | 180.0° |
| C1B | N9A | C8A | H4 | 1.2° | 0.1° |
| N9A | C1B | C2B | H6 | 35.7° | 24.2° |
| O4B | C4B | C5B | H11 | 118.1° | 122.3° |
| O4B | C4B | C5B | O5B | 53.7° | 69.7° |
| C4B | O4B | C1B | H5 | 94.2° | 78.4° |
| O4B | C4B | C3B | H8 | 133.0° | 94.6° |
| O4B | C4B | C5B | H12 | 174.7° | 170.4° |
| O4B | C4B | C5B | H13 | 67.3° | 50.4° |
| C4B | C5B | O5B | H12 | 121.0° | 120.0° |
| C4B | C5B | O5B | H13 | 121.0° | 120.1° |
| C4B | C5B | O5B | P1A | 168.3° | 180.0° |
| C5B | C4B | C3B | H8 | 14.4° | 24.2° |
| C4B | C5B | H12 | H13 | 116.9° | 120.1° |
| N1A | C6A | C5A | C4A | 0.3° | 0.1° |
| N1A | C6A | C5A | N6A | 179.5° | 179.9° |
| N1A | C6A | C5A | N7A | 179.7° | 180.0° |
| C6A | N1A | C2A | H1 | 179.8° | 180.0° |
| N1A | C6A | N6A | H2 | 0.0° | 0.1° |
| N1A | C6A | N6A | H3 | 120.0° | 180.0° |
| N9A | C4A | C5A | C6A | 179.5° | 179.9° |
| N9A | C4A | C5A | N7A | 0.6° | 0.0° |
| C4A | N9A | C8A | N7A | 0.2° | 0.1° |
| C4A | N9A | C8A | H4 | 179.8° | 180.0° |
| C4A | N9A | C1B | H5 | 10.4° | 34.3° |
| C5A | C4A | N9A | C8A | 0.5° | 0.0° |
| C4A | C5A | C6A | N7A | 179.9° | 179.9° |
| C4A | C5A | C6A | N6A | 179.8° | 180.0° |
| C4A | C5A | N7A | C8A | 0.5° | 0.0° |
| N9A | C8A | N7A | C5A | 0.2° | 0.1° |
| N9A | C8A | N7A | H4 | 180.0° | 179.9° |
| C8A | N9A | C1B | H5 | 168.1° | 145.8° |
| C6A | C5A | N7A | C8A | 179.6° | 180.0° |
| C5A | C6A | N6A | H2 | 179.5° | 180.0° |
| C5A | C6A | N6A | H3 | 60.5° | 0.1° |
| N6A | C6A | C5A | N7A | 0.1° | 0.1° |
| C6A | N6A | H2 | H3 | 120.0° | 179.9° |
| C5B | O5B | P1A | O2A | 18.5° | 55.0° |
| C5B | O5B | P1A | O1A | 134.9° | 65.1° |
| C5B | O5B | P1A | O3A | 106.7° | 175.0° |
| O5B | C5B | C4B | H11 | 64.4° | 52.7° |
| O5B | C5B | H12 | H13 | 116.9° | 119.9° |
| C5A | N7A | C8A | H4 | 179.9° | 180.0° |
| O5B | P1A | O2A | O1A | 117.3° | 120.0° |
| O5B | P1A | O2A | O3A | 126.7° | 120.0° |
| O5B | P1A | O1A | O3A | 122.7° | 119.9° |
| O5B | P1A | O3A | P2A | 86.2° | 160.0° |
| P1A | O5B | C5B | H12 | 47.3° | 60.0° |
| P1A | O5B | C5B | H13 | 70.7° | 59.9° |
| O5B | P1A | O1A | H14 | 118.5° | 60.0° |
| O2A | P1A | O1A | O3A | 118.8° | 120.0° |
| O2A | P1A | O3A | P2A | 38.5° | 40.0° |
| O2A | P1A | O1A | H14 | 0.0° | 180.0° |
| O1A | P1A | O3A | P2A | 154.5° | 80.1° |
| P1A | O3A | P2A | O4A | 27.0° | 44.9° |
| P1A | O3A | P2A | O6A | 142.6° | 165.0° |
| P1A | O3A | P2A | O5A | 97.9° | 75.0° |
| O3A | P1A | O1A | H14 | 118.8° | 60.0° |
| O4A | P2A | O3A | O6A | 115.6° | 120.0° |
| O4A | P2A | O3A | O5A | 125.0° | 120.0° |
| O4A | P2A | O6A | O5A | 121.0° | 120.0° |
| O4A | P2A | O6A | CCP | 71.4° | 55.0° |
| O4A | P2A | O5A | H15 | 0.0° | 180.0° |
| O3A | P2A | O6A | O5A | 121.2° | 120.0° |
| O3A | P2A | O6A | CCP | 46.3° | 175.0° |
| O3A | P2A | O5A | H15 | 123.3° | 60.0° |
| CEP | CBP | CCP | O6A | 171.5° | 60.0° |
| CEP | CBP | CCP | CAP | 121.5° | 120.0° |
| CEP | CBP | CCP | CDP | 119.7° | 120.0° |
| CEP | CBP | CAP | OAP | 40.0° | 54.4° |
| CEP | CBP | CAP | CDP | 122.7° | 120.0° |
| CEP | CBP | CAP | C9P | 79.4° | 174.4° |
| CEP | CBP | CCP | H16 | 50.9° | 60.0° |
| CEP | CBP | CCP | H17 | 67.8° | 180.0° |
| CEP | CBP | CDP | H18 | 180.0° | 173.6° |
| CEP | CBP | CDP | H19 | 60.0° | 53.6° |
| CEP | CBP | CDP | H20 | 60.0° | 66.3° |
| CBP | CEP | H21 | H22 | 120.0° | 120.0° |
| CBP | CEP | H21 | H23 | 120.0° | 120.0° |
| CBP | CEP | H22 | H23 | 120.0° | 120.0° |
| CEP | CBP | CAP | H24 | 159.9° | 65.6° |
| P2A | O6A | CCP | CBP | 169.4° | 180.0° |
| O6A | P2A | O5A | H15 | 117.1° | 60.0° |
| P2A | O6A | CCP | H16 | 48.8° | 60.0° |
| P2A | O6A | CCP | H17 | 69.9° | 60.0° |
| O5A | P2A | O6A | CCP | 167.6° | 65.0° |
| O6A | CCP | CBP | H16 | 120.7° | 120.0° |
| O6A | CCP | CBP | H17 | 120.7° | 119.9° |
| O6A | CCP | CBP | CAP | 50.0° | 180.0° |
| O6A | CCP | CBP | CDP | 68.8° | 60.0° |
| O6A | CCP | H16 | H17 | 118.0° | 119.9° |
| CCP | CBP | CAP | OAP | 80.3° | 65.6° |
| CCP | CBP | CAP | CDP | 117.1° | 120.0° |
| CCP | CBP | CAP | C9P | 160.4° | 54.4° |
| CBP | CCP | H16 | H17 | 117.9° | 120.1° |
| CCP | CBP | CDP | H18 | 60.1° | 53.6° |
| CCP | CBP | CDP | H19 | 179.9° | 66.4° |
| CCP | CBP | CDP | H20 | 59.9° | 173.7° |
| CCP | CBP | CEP | H21 | 180.0° | 175.4° |
| CCP | CBP | CEP | H22 | 60.0° | 55.5° |
| CCP | CBP | CEP | H23 | 60.0° | 64.5° |
| CCP | CBP | CAP | H24 | 39.7° | 174.4° |
| OAP | CAP | CBP | C9P | 119.3° | 120.0° |
| OAP | CAP | CBP | H24 | 120.0° | 120.0° |
| OAP | CAP | CBP | CDP | 162.6° | 174.4° |
| OAP | CAP | C9P | H24 | 116.6° | 120.0° |
| OAP | CAP | C9P | N8P | 27.6° | 171.5° |
| OAP | CAP | C9P | O9P | 152.2° | 8.6° |
| CBP | CAP | C9P | H24 | 120.6° | 120.0° |
| CBP | CAP | C9P | N8P | 95.2° | 68.5° |
| CBP | CAP | C9P | O9P | 85.1° | 111.4° |
| CAP | CBP | CCP | H16 | 70.7° | 60.0° |
| CAP | CBP | CCP | H17 | 170.7° | 60.0° |
| CAP | CBP | CDP | H18 | 56.0° | 66.4° |
| CAP | CBP | CDP | H19 | 64.0° | 173.6° |
| CAP | CBP | CDP | H20 | 176.0° | 53.7° |
| CAP | CBP | CEP | H21 | 61.8° | 64.6° |
| CAP | CBP | CEP | H22 | 58.2° | 175.4° |
| CAP | CBP | CEP | H23 | 178.2° | 55.4° |
| CBP | CAP | OAP | H25 | 180.0° | 60.0° |
| CDP | CBP | CAP | C9P | 43.3° | 65.6° |
| CDP | CBP | CCP | H16 | 170.6° | 180.0° |
| CDP | CBP | CCP | H17 | 51.9° | 60.0° |
| CBP | CDP | H18 | H19 | 120.0° | 120.0° |
| CBP | CDP | H18 | H20 | 120.0° | 120.1° |
| CBP | CDP | H19 | H20 | 120.0° | 120.0° |
| CDP | CBP | CEP | H21 | 61.3° | 55.4° |
| CDP | CBP | CEP | H22 | 178.7° | 64.6° |
| CDP | CBP | CEP | H23 | 58.7° | 175.4° |
| CDP | CBP | CAP | H24 | 77.4° | 54.4° |
| CAP | C9P | N8P | O9P | 179.8° | 179.9° |
| CAP | C9P | N8P | C7P | 179.8° | 175.5° |
| C9P | CAP | OAP | H25 | 53.8° | 60.0° |
| CAP | C9P | N8P | H26 | 0.1° | 4.5° |
| C9P | N8P | C7P | H26 | 180.0° | 179.9° |
| C9P | N8P | C7P | C6P | 64.1° | 180.0° |
| N8P | C9P | CAP | H24 | 144.2° | 51.5° |
| C9P | N8P | C7P | H27 | 56.5° | 60.0° |
| C9P | N8P | C7P | H28 | 175.3° | 60.1° |
| C7P | N8P | C9P | O9P | 0.4° | 4.4° |
| N8P | C7P | C6P | H27 | 120.6° | 120.0° |
| N8P | C7P | C6P | H28 | 120.6° | 120.0° |
| N8P | C7P | C6P | C5P | 70.0° | 180.0° |
| N8P | C7P | H27 | H28 | 118.1° | 120.0° |
| N8P | C7P | C6P | H29 | 50.8° | 60.0° |
| N8P | C7P | C6P | H30 | 169.1° | 60.1° |
| O5P | C5P | C6P | C7P | 10.7° | 0.0° |
| O5P | C5P | N4P | C6P | 180.0° | 180.0° |
| O5P | C5P | N4P | C3P | 0.3° | 0.0° |
| O5P | C5P | C6P | H29 | 131.6° | 119.9° |
| O5P | C5P | C6P | H30 | 110.2° | 120.0° |
| O5P | C5P | N4P | H31 | 179.7° | 180.0° |
| O9P | C9P | CAP | H24 | 35.5° | 128.6° |
| O9P | C9P | N8P | H26 | 179.6° | 175.6° |
| S1P | C2P | C3P | H34 | 120.8° | 120.0° |
| S1P | C2P | C3P | H35 | 120.8° | 120.0° |
| S1P | C2P | C3P | N4P | 164.0° | 180.0° |
| C2P | S1P | C8 | C7 | 53.6° | 180.0° |
| S1P | C2P | C3P | H32 | 75.4° | 59.9° |
| S1P | C2P | C3P | H33 | 43.4° | 60.0° |
| S1P | C2P | H34 | H35 | 117.5° | 120.0° |
| C2P | S1P | C8 | H43 | 174.0° | 60.0° |
| C2P | S1P | C8 | H44 | 66.8° | 60.0° |
| C8 | S1P | C2P | C3P | 106.8° | 180.0° |
| S1P | C8 | C7 | H43 | 120.4° | 120.1° |
| S1P | C8 | C7 | H44 | 120.4° | 120.1° |
| S1P | C8 | C7 | N2 | 92.2° | 180.0° |
| S1P | C8 | C7 | O7 | 85.9° | 0.0° |
| C8 | S1P | C2P | H34 | 14.0° | 60.0° |
| C8 | S1P | C2P | H35 | 132.4° | 60.0° |
| S1P | C8 | H43 | H44 | 118.8° | 120.1° |
| C7P | C6P | C5P | N4P | 169.3° | 180.0° |
| C7P | C6P | C5P | H29 | 120.9° | 120.0° |
| C7P | C6P | C5P | H30 | 120.9° | 119.9° |
| C6P | C7P | N8P | H26 | 115.9° | 0.1° |
| C6P | C7P | H27 | H28 | 118.0° | 120.0° |
| C7P | C6P | H29 | H30 | 117.3° | 120.0° |
| C5P | N4P | C3P | C2P | 132.4° | 180.0° |
| C5P | N4P | C3P | H31 | 180.0° | 179.9° |
| N4P | C5P | C6P | H29 | 48.5° | 60.0° |
| N4P | C5P | C6P | H30 | 69.8° | 60.1° |
| C5P | N4P | C3P | H32 | 11.8° | 60.0° |
| C5P | N4P | C3P | H33 | 107.0° | 60.1° |
| C6P | C5P | N4P | C3P | 179.7° | 180.0° |
| C5P | C6P | C7P | H27 | 169.4° | 60.0° |
| C5P | C6P | C7P | H28 | 50.6° | 60.0° |
| C5P | C6P | H29 | H30 | 117.3° | 120.0° |
| C6P | C5P | N4P | H31 | 0.3° | 0.1° |
| C2P | C3P | N4P | H32 | 120.6° | 120.0° |
| C2P | C3P | N4P | H33 | 120.6° | 119.9° |
| C2P | C3P | N4P | H31 | 47.6° | 0.1° |
| C2P | C3P | H32 | H33 | 118.2° | 119.9° |
| C3P | C2P | H34 | H35 | 117.4° | 119.9° |
| N4P | C3P | H32 | H33 | 118.2° | 120.1° |
| N4P | C3P | C2P | H34 | 43.2° | 60.0° |
| N4P | C3P | C2P | H35 | 75.2° | 60.0° |
| C8 | C7 | N2 | O7 | 178.1° | 179.9° |
| C8 | C7 | N2 | CA | 178.6° | 180.0° |
| C7 | C8 | H43 | H44 | 118.8° | 119.9° |
| C8 | C7 | N2 | H45 | 1.4° | 0.0° |
| OE2 | CD | CG | OE1 | 179.4° | 179.9° |
| OE2 | CD | CG | CB | 121.8° | 0.0° |
| OE2 | CD | CG | H40 | 117.2° | 120.0° |
| OE2 | CD | CG | H41 | 0.9° | 120.1° |
| OE2 | CD | OE1 | H42 | 0.0° | 0.1° |
| CD | CG | CB | H40 | 120.9° | 120.0° |
| CD | CG | CB | H41 | 121.0° | 120.1° |
| CD | CG | CB | CA | 147.8° | 180.0° |
| CD | CG | CB | H38 | 91.2° | 60.0° |
| CD | CG | CB | H39 | 26.8° | 60.0° |
| CD | CG | H40 | H41 | 117.0° | 120.0° |
| CG | CD | OE1 | H42 | 179.4° | 180.0° |
| CB | CG | CD | OE1 | 57.5° | 180.0° |
| CG | CB | CA | N2 | 29.8° | 64.9° |
| CG | CB | CA | H38 | 121.0° | 120.0° |
| CG | CB | CA | H39 | 121.0° | 120.1° |
| CG | CB | CA | C | 151.1° | 175.0° |
| CG | CB | CA | H36 | 90.1° | 55.0° |
| CG | CB | H38 | H39 | 116.9° | 120.0° |
| CB | CG | H40 | H41 | 117.0° | 119.9° |
| OE1 | CD | CG | H40 | 63.4° | 59.9° |
| OE1 | CD | CG | H41 | 178.5° | 60.0° |
| C7 | N2 | CA | H45 | 180.0° | 180.0° |
| C7 | N2 | CA | CB | 178.4° | 154.9° |
| C7 | N2 | CA | C | 59.0° | 85.0° |
| C7 | N2 | CA | H36 | 62.3° | 35.0° |
| N2 | C7 | C8 | H43 | 28.2° | 60.0° |
| N2 | C7 | C8 | H44 | 147.4° | 59.9° |
| O7 | C7 | N2 | CA | 0.5° | 0.0° |
| O7 | C7 | C8 | H43 | 153.7° | 120.1° |
| O7 | C7 | C8 | H44 | 34.5° | 120.0° |
| O7 | C7 | N2 | H45 | 179.5° | 179.9° |
| N2 | CA | CB | C | 121.4° | 120.1° |
| N2 | CA | CB | H36 | 119.8° | 120.0° |
| N2 | CA | C | H36 | 121.7° | 120.0° |
| N2 | CA | C | O | 4.9° | 0.1° |
| N2 | CA | C | OXT | 175.1° | 180.0° |
| N2 | CA | CB | H38 | 150.8° | 55.0° |
| N2 | CA | CB | H39 | 91.2° | 175.0° |
| CB | CA | C | H36 | 118.6° | 119.9° |
| CB | CA | C | O | 114.8° | 120.0° |
| CB | CA | C | OXT | 65.2° | 59.9° |
| CA | CB | H38 | H39 | 116.9° | 120.0° |
| CA | CB | CG | H40 | 26.8° | 60.0° |
| CA | CB | CG | H41 | 91.2° | 59.9° |
| CB | CA | N2 | H45 | 1.6° | 25.1° |
| CA | C | O | OXT | 180.0° | 179.9° |
| CA | C | OXT | H37 | 180.0° | 180.0° |
| C | CA | CB | H38 | 87.9° | 65.0° |
| C | CA | CB | H39 | 30.1° | 54.9° |
| C | CA | N2 | H45 | 121.0° | 95.0° |
| O | C | CA | H36 | 126.6° | 120.1° |
| O | C | OXT | H37 | 0.0° | 0.1° |
| OXT | C | CA | H36 | 53.4° | 60.0° |
| H5 | C1B | C2B | H6 | 152.5° | 146.6° |
| H6 | C2B | O2B | H7 | 55.0° | 61.1° |
| H6 | C2B | C3B | H8 | 25.1° | 0.0° |
| H8 | C3B | C4B | H11 | 108.5° | 146.5° |
| H11 | C4B | C5B | H12 | 56.6° | 67.3° |
| H11 | C4B | C5B | H13 | 174.6° | 172.7° |
| H18 | CDP | H19 | H20 | 120.0° | 120.0° |
| H21 | CEP | H22 | H23 | 120.0° | 120.0° |
| H24 | CAP | OAP | H25 | 61.4° | 180.0° |
| H26 | N8P | C7P | H27 | 123.5° | 120.0° |
| H26 | N8P | C7P | H28 | 4.7° | 120.0° |
| H27 | C7P | C6P | H29 | 69.8° | 179.9° |
| H27 | C7P | C6P | H30 | 48.5° | 59.9° |
| H28 | C7P | C6P | H29 | 171.5° | 59.9° |
| H28 | C7P | C6P | H30 | 70.2° | 180.0° |
| H31 | N4P | C3P | H32 | 168.2° | 119.9° |
| H31 | N4P | C3P | H33 | 73.0° | 120.0° |
| H32 | C3P | C2P | H34 | 163.8° | 180.0° |
| H32 | C3P | C2P | H35 | 45.4° | 60.1° |
| H33 | C3P | C2P | H34 | 77.4° | 60.0° |
| H33 | C3P | C2P | H35 | 164.2° | 180.0° |
| H36 | CA | CB | H38 | 30.9° | 175.0° |
| H36 | CA | CB | H39 | 148.9° | 65.1° |
| H36 | CA | N2 | H45 | 117.7° | 145.0° |
| H38 | CB | CG | H40 | 147.8° | 180.0° |
| H38 | CB | CG | H41 | 29.8° | 60.1° |
| H39 | CB | CG | H40 | 94.1° | 60.1° |
| H39 | CB | CG | H41 | 147.8° | 180.0° |
