| 1 | M | 50.5 | Low | 41.1 | Very low | 242 Ų | 242 | 112.1 Ų | 112.1 | 100% | 1.192 | 86% | 0.861 | S | S | * | * | | | | 0 | 107.2 | 0 | -65.6 | 85.3 | 174.7 | 0 | 0 | 106.6 | | |
| 2 | G | 42 | Very low | 41.6 | Very low | 77 Ų | 77 | 113.9 Ų | 113.9 | 79% | 0.794 | 87% | 0.865 | S | S | * | * | | | cis | 110.8 | 97.4 | 48 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 3 | C | 35.4 | Very low | 41.2 | Very low | 127 Ų | 127 | 111.6 Ų | 111.6 | 86% | 0.858 | 87% | 0.865 | S | S | * | * | | | trans | -73.7 | 152.5 | -163.3 | -36.9 | 0 | 0 | 0 | 0 | 114 | | |
| 4 | C | 46.6 | Very low | 41.1 | Very low | 135 Ų | 135 | 108.5 Ų | 108.5 | 91% | 0.912 | 85% | 0.853 | S | S | * | * | | | trans | -179.2 | 97.1 | 140.1 | -96.2 | 0 | 0 | 0 | 0 | 106.2 | | |
| 5 | G | 43.4 | Very low | 41.1 | Very low | 63 Ų | 63 | 110.7 Ų | 110.7 | 65% | 0.649 | 86% | 0.86 | S | S | * | * | | | cis | 85.2 | 90.9 | 44.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 6 | C | 40.1 | Very low | 40.6 | Very low | 136 Ų | 136 | 108.4 Ų | 108.4 | 92% | 0.919 | 86% | 0.855 | S | S | * | * | | | | 80.7 | 132.3 | 89.8 | -80.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 7 | G | 42.7 | Very low | 40.8 | Very low | 79 Ų | 79 | 109.9 Ų | 109.9 | 81% | 0.814 | 86% | 0.857 | S | S | * | * | | | trans | 87.6 | 128.7 | 152.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 8 | G | 35.4 | Very low | 40.5 | Very low | 74 Ų | 74 | 108.6 Ų | 108.6 | 76% | 0.763 | 86% | 0.859 | S | S | * | * | | | cis | 97.1 | 120.5 | 32.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 9 | C | 37.1 | Very low | 40.5 | Very low | 146 Ų | 146 | 107 Ų | 107 | 99% | 0.986 | 86% | 0.857 | S | S | * | * | | | trans | 63.2 | 130.2 | 162.7 | -70.1 | 0 | 0 | 0 | 0 | 119.1 | | |
| 10 | G | 42.3 | Very low | 40.3 | Very low | 78 Ų | 78 | 108.9 Ų | 108.9 | 80% | 0.804 | 86% | 0.863 | S | S | * | * | | | trans | 173.4 | 52.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 11 | G | 37.2 | Very low | 40.2 | Very low | 76 Ų | 76 | 107.4 Ų | 107.4 | 78% | 0.784 | 86% | 0.86 | S | S | * | * | | | trans | -70.5 | 130.6 | 153.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 12 | C | 47.3 | Very low | 39.5 | Very low | 134 Ų | 134 | 102.7 Ų | 102.7 | 91% | 0.905 | 85% | 0.849 | S | S | * | * | | | trans | -175.7 | 117.9 | 161.6 | -94.9 | 0 | 0 | 0 | 0 | 104.2 | | |
| 13 | G | 36 | Very low | 39.2 | Very low | 84 Ų | 84 | 103 Ų | 103 | 87% | 0.866 | 85% | 0.852 | S | S | * | * | | | | 88.8 | 113.7 | 57.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 14 | G | 40.1 | Very low | 39.4 | Very low | 68 Ų | 68 | 100.9 Ų | 100.9 | 70% | 0.701 | 85% | 0.852 | S | S | * | * | | | trans | 142.6 | 90.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 15 | C | 40.8 | Very low | 39 | Very low | 141 Ų | 141 | 101.2 Ų | 101.2 | 95% | 0.953 | 85% | 0.854 | S | S | * | * | | | | 86.9 | 124 | 87 | -80.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 16 | G | 33.5 | Very low | 38.6 | Very low | 75 Ų | 75 | 101.8 Ų | 101.8 | 77% | 0.773 | 86% | 0.86 | S | S | * | * | | | trans | -79.7 | 164 | -163.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 17 | C | 43.8 | Very low | 38.7 | Very low | 133 Ų | 133 | 101.9 Ų | 101.9 | 90% | 0.899 | 86% | 0.861 | S | S | * | * | | | trans | -163.9 | 107.5 | 157.3 | -88.1 | 0 | 0 | 0 | 0 | 102.7 | | |
| 18 | G | 35.1 | Very low | 38.6 | Very low | 86 Ų | 86 | 102.1 Ų | 102.1 | 89% | 0.887 | 86% | 0.863 | S | S | * | * | | | | 73.9 | 105 | 75.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 19 | G | 41 | Very low | 38.7 | Very low | 79 Ų | 79 | 102.2 Ų | 102.2 | 81% | 0.814 | 86% | 0.864 | S | S | * | * | | | trans | 145.3 | 95 | 164.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 20 | C | 35.9 | Very low | 38.9 | Very low | 145 Ų | 145 | 101.9 Ų | 101.9 | 98% | 0.98 | 86% | 0.861 | S | S | * | * | | | trans | -56.2 | 142.8 | 154.8 | -71.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 21 | G | 38.1 | Very low | 38.4 | Very low | 78 Ų | 78 | 101.7 Ų | 101.7 | 80% | 0.804 | 86% | 0.859 | S | S | * | * | | | trans | 179.2 | 101.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 22 | C | 37.1 | Very low | 38.5 | Very low | 142 Ų | 142 | 104.5 Ų | 104.5 | 96% | 0.959 | 87% | 0.865 | S | S | * | * | | | trans | -61.5 | 145.8 | 164 | -67.2 | 0 | 0 | 0 | 0 | 111 | | |
| 23 | G | 33.7 | Very low | 38 | Very low | 84 Ų | 84 | 101.9 Ų | 101.9 | 87% | 0.866 | 86% | 0.862 | S | S | * | * | | | trans | 118.9 | 116.1 | 155.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 24 | G | 39.6 | Very low | 37.8 | Very low | 82 Ų | 82 | 101.2 Ų | 101.2 | 85% | 0.845 | 86% | 0.855 | S | S | * | * | | | trans | 173.4 | 52.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 25 | C | 38 | Very low | 37.6 | Very low | 143 Ų | 143 | 104.8 Ų | 104.8 | 97% | 0.966 | 87% | 0.867 | S | S | * | * | | | trans | -68.2 | 136 | 156.5 | -87 | 0 | 0 | 0 | 0 | 108.9 | | |
| 26 | G | 36.7 | Very low | 37.2 | Very low | 74 Ų | 74 | 101.4 Ų | 101.4 | 76% | 0.763 | 86% | 0.856 | S | S | * | * | | | trans | 160.7 | 86.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 27 | C | 41.8 | Very low | 37.2 | Very low | 139 Ų | 139 | 104.4 Ų | 104.4 | 94% | 0.939 | 86% | 0.864 | S | S | * | * | | | trans | -152.6 | 96.6 | 137 | -86.7 | 0 | 0 | 0 | 0 | 103.7 | | |
| 28 | G | 40.8 | Very low | 36.5 | Very low | 84 Ų | 84 | 102.2 Ų | 102.2 | 87% | 0.866 | 86% | 0.864 | S | S | * | * | | | cis | 92.2 | 120.5 | 46.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 29 | G | 36.8 | Very low | 36.3 | Very low | 75 Ų | 75 | 101.8 Ų | 101.8 | 77% | 0.773 | 86% | 0.859 | S | S | * | * | | | cis | -176.3 | 149.8 | 1.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 30 | C | 40.3 | Very low | 35.8 | Very low | 139 Ų | 139 | 105 Ų | 105 | 94% | 0.939 | 87% | 0.867 | S | S | * | * | | | trans | 167 | 99.5 | 161.6 | -98.9 | 0 | 0 | 0 | 0 | 103.8 | | |
| 31 | G | 32.7 | Very low | 35.6 | Very low | 74 Ų | 74 | 101.5 Ų | 101.5 | 76% | 0.763 | 86% | 0.856 | S | S | * | * | | | cis | 108.1 | 84.9 | 37.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 32 | C | 40.5 | Very low | 35.7 | Very low | 135 Ų | 135 | 104.5 Ų | 104.5 | 91% | 0.912 | 86% | 0.864 | S | S | * | * | | | trans | 160.8 | 111.2 | 149.1 | -91.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 33 | G | 36 | Very low | 35.4 | Very low | 80 Ų | 80 | 101.7 Ų | 101.7 | 83% | 0.825 | 86% | 0.859 | S | S | * | * | | | trans | 72.9 | 109.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 34 | G | 30.6 | Very low | 35.3 | Very low | 70 Ų | 70 | 101.2 Ų | 101.2 | 72% | 0.722 | 85% | 0.854 | S | S | * | * | | | cis | 89.9 | 121.2 | 38.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 35 | C | 36.3 | Very low | 35.3 | Very low | 143 Ų | 143 | 103.7 Ų | 103.7 | 97% | 0.966 | 86% | 0.857 | S | S | * | * | | | trans | 73.9 | 122.9 | 177.9 | -56.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 36 | G | 32.1 | Very low | 35.2 | Very low | 70 Ų | 70 | 100.7 Ų | 100.7 | 72% | 0.722 | 85% | 0.849 | S | S | * | * | | | cis | 118.4 | 116.1 | 35.4 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 37 | C | 33.4 | Very low | 35.1 | Very low | 137 Ų | 137 | 103.8 Ų | 103.8 | 93% | 0.926 | 86% | 0.858 | S | S | * | * | | | trans | 30.6 | 115.7 | 163.6 | -61.4 | 0 | 0 | 0 | 0 | 120.1 | | |
| 38 | G | 29.6 | Very low | 34.9 | Very low | 87 Ų | 87 | 101.1 Ų | 101.1 | 90% | 0.897 | 85% | 0.854 | S | S | * | * | | | trans | 91.9 | 129.4 | 141.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 39 | G | 31.4 | Very low | 34.7 | Very low | 77 Ų | 77 | 101 Ų | 101 | 79% | 0.794 | 85% | 0.853 | S | S | * | * | | | trans | 152 | 107.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 40 | C | 31 | Very low | 34.5 | Very low | 146 Ų | 146 | 104.3 Ų | 104.3 | 99% | 0.986 | 86% | 0.862 | S | S | * | * | | | trans | -47.2 | 136.9 | 166.2 | -65.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 41 | G | 31.1 | Very low | 34.2 | Very low | 73 Ų | 73 | 101.5 Ų | 101.5 | 75% | 0.753 | 86% | 0.857 | S | S | * | * | | | trans | -150.6 | 46.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 42 | C | 39.3 | Very low | 34.3 | Very low | 141 Ų | 141 | 101.8 Ų | 101.8 | 95% | 0.953 | 86% | 0.86 | S | S | * | * | | | trans | -124.3 | 63.4 | 154 | -74.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 43 | G | 32 | Very low | 34.1 | Very low | 83 Ų | 83 | 101.9 Ų | 101.9 | 86% | 0.856 | 86% | 0.861 | S | S | * | * | | | trans | -95.7 | 120 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 44 | G | 32.4 | Very low | 33.9 | Very low | 74 Ų | 74 | 102 Ų | 102 | 76% | 0.763 | 86% | 0.862 | S | S | * | * | | | trans | 161.5 | 51.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 45 | C | 39 | Very low | 34.1 | Very low | 134 Ų | 134 | 102.3 Ų | 102.3 | 91% | 0.905 | 87% | 0.865 | S | S | * | * | | | trans | -140.3 | 100.1 | 153.9 | -97.5 | 0 | 0 | 0 | 0 | 107.4 | | |
| 46 | G | 35.8 | Very low | 33.9 | Very low | 79 Ų | 79 | 102.4 Ų | 102.4 | 81% | 0.814 | 87% | 0.866 | S | S | * | * | | | trans | -65.5 | 134.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 47 | C | 33.6 | Very low | 33.9 | Very low | 140 Ų | 140 | 102.7 Ų | 102.7 | 95% | 0.946 | 87% | 0.869 | S | S | * | * | | | trans | -64.6 | 130.3 | 157.5 | -71.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 48 | G | 38.8 | Very low | 33.9 | Very low | 83 Ų | 83 | 99.8 Ų | 99.8 | 86% | 0.856 | 86% | 0.862 | S | S | * | * | | | trans | 178.1 | 105.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 49 | G | 35.8 | Very low | 34 | Very low | 81 Ų | 81 | 102.6 Ų | 102.6 | 84% | 0.835 | 87% | 0.866 | S | S | * | * | | | trans | 138.5 | 66.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 50 | C | 32.6 | Very low | 34 | Very low | 144 Ų | 144 | 102.2 Ų | 102.2 | 97% | 0.973 | 86% | 0.862 | S | S | * | * | | | trans | -61.9 | 135.5 | 153.2 | -82.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 51 | G | 35.5 | Very low | 34.2 | Very low | 81 Ų | 81 | 101.1 Ų | 101.1 | 84% | 0.835 | 86% | 0.855 | S | S | * | * | | | trans | 160.5 | 117.7 | 161 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 52 | G | 34.1 | Very low | 34.3 | Very low | 80 Ų | 80 | 101.3 Ų | 101.3 | 83% | 0.825 | 86% | 0.857 | S | S | * | * | | | trans | 129.9 | 83.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 53 | C | 35.2 | Very low | 34.1 | Very low | 137 Ų | 137 | 100.7 Ų | 100.7 | 93% | 0.926 | 85% | 0.852 | S | S | * | * | | | trans | -53.9 | 149.4 | 162.1 | -68.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 54 | G | 32.3 | Very low | 34.2 | Very low | 83 Ų | 83 | 100.4 Ų | 100.4 | 86% | 0.856 | 85% | 0.849 | S | S | * | * | | | trans | 103.2 | 110.2 | 145.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 55 | G | 35 | Very low | 34.3 | Very low | 76 Ų | 76 | 100.4 Ų | 100.4 | 78% | 0.784 | 85% | 0.85 | S | S | * | * | | | trans | 161.8 | 84.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G57 | G55-G57 PolarHBondContact O-N 2.92Š|
| 56 | C | 31.9 | Very low | 34 | Very low | 145 Ų | 145 | 101.1 Ų | 101.1 | 98% | 0.98 | 86% | 0.855 | S | S | * | * | | | trans | -56.7 | 124 | 159.3 | -75.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 57 | G | 31.9 | Very low | 33.9 | Very low | 76 Ų | 76 | 100.5 Ų | 100.5 | 78% | 0.784 | 85% | 0.848 | S | S | * | * | | | trans | 159.9 | 122.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G55 | G55-G57 PolarHBondContact O-N 2.92Š|
| 58 | G | 34.2 | Very low | 33.8 | Very low | 75 Ų | 75 | 101.1 Ų | 101.1 | 77% | 0.773 | 85% | 0.852 | S | S | * | * | | | trans | 96.3 | 99.2 | 156.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | G60 | G58-G60 VanDerWaalsContact C-N 3.31Å; G58-G60 PolarHBondContact O-N 3.38Å |
| 59 | C | 30.4 | Very low | 33.6 | Very low | 147 Ų | 147 | 100.6 Ų | 100.6 | 99% | 0.993 | 85% | 0.847 | S | S | * | * | | | trans | -54.9 | 98 | 150.9 | -81.4 | 0 | 0 | 0 | 0 | 109 | | |
| 60 | G | 32 | Very low | 33.4 | Very low | 69 Ų | 69 | 100.4 Ų | 100.4 | 71% | 0.711 | 85% | 0.845 | S | S | * | * | | | trans | -134.5 | 73.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | G58 G62 | G58-G60 VanDerWaalsContact C-N 3.31Å; G58-G60 PolarHBondContact O-N 3.38Å; G60-G62 PolarHBondContact O-N 3.2Å |
| 61 | C | 34.8 | Very low | 33.4 | Very low | 123 Ų | 123 | 99.7 Ų | 99.7 | 83% | 0.831 | 84% | 0.84 | S | S | * | * | | | trans | -75.8 | 89.6 | 174.8 | -72.2 | 0 | 0 | 0 | 0 | 110.1 | C63 | C61-C63 PolarHBondContact O-N 2.73Š|
| 62 | G | 33 | Very low | 33.2 | Very low | 77 Ų | 77 | 99.2 Ų | 99.2 | 79% | 0.794 | 84% | 0.835 | S | S | * | * | | | trans | -74.5 | 95.4 | 157.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | G60 G64 | G60-G62 PolarHBondContact O-N 3.2Å; G62-G64 PolarHBondContact O-N 3.46Å; G62-G64 VanDerWaalsContact O-N 3.1Å |
| 63 | C | 36.6 | Very low | 32.9 | Very low | 127 Ų | 127 | 99.1 Ų | 99.1 | 86% | 0.858 | 83% | 0.834 | S | S | * | * | | | trans | -80.4 | 83.6 | 174 | -78.8 | 0 | 0 | 0 | 0 | 110.8 | C61 | C61-C63 PolarHBondContact O-N 2.73Š|
| 64 | G | 33.3 | Very low | 32.7 | Very low | 77 Ų | 77 | 98.7 Ų | 98.7 | 79% | 0.794 | 83% | 0.831 | S | S | * | * | | | trans | -105.7 | 116.3 | 152.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | G62 | G62-G64 PolarHBondContact O-N 3.46Å; G62-G64 VanDerWaalsContact O-N 3.1Å |
| 65 | G | 34.7 | Very low | 32.7 | Very low | 75 Ų | 75 | 98.2 Ų | 98.2 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | S | Bend | trans | 115.7 | 116.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G67 | G65-G67 PolarHBondContact O-N 3.19Å; G65-G67 VanDerWaalsContact O-N 3.17Å |
| 66 | C | 32 | Very low | 32.3 | Very low | 149 Ų | 149 | 101 Ų | 101 | 100% | 1.007 | 83% | 0.832 | S | S | * | * | | | trans | -56.8 | 114.5 | 176.1 | -72.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 67 | G | 34.7 | Very low | 32.2 | Very low | 65 Ų | 65 | 99.9 Ų | 99.9 | 67% | 0.67 | 83% | 0.825 | S | S | * | * | | | trans | -140.8 | 85.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | G65 G69 | G65-G67 PolarHBondContact O-N 3.19Å; G65-G67 VanDerWaalsContact O-N 3.17Å; G67-G69 PolarHBondContact O-N 3.49Å |
| 68 | C | 31.6 | Very low | 32.2 | Very low | 153 Ų | 153 | 99.8 Ų | 99.8 | 100% | 1.034 | 82% | 0.824 | S | S | * | * | | | trans | -71.9 | 75.7 | 165 | -75.2 | 0 | 0 | 0 | 0 | 108.4 | | |
| 69 | G | 34.8 | Very low | 32 | Very low | 72 Ų | 72 | 99.2 Ų | 99.2 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | | | trans | -150 | 106.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | G67 | G67-G69 PolarHBondContact O-N 3.49Š|
| 70 | G | 30.5 | Very low | 31.8 | Very low | 77 Ų | 77 | 97.7 Ų | 97.7 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | | | trans | 106.4 | 75.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 71 | C | 34 | Very low | 31.9 | Very low | 129 Ų | 129 | 98.9 Ų | 98.9 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | | | trans | -155.1 | 106.1 | 142.6 | -97.4 | 0 | 0 | 0 | 0 | 104 | | |
| 72 | G | 30.8 | Very low | 31.9 | Very low | 71 Ų | 71 | 96 Ų | 96 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | | | | 67.9 | 99.6 | 57.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | C74 | G72-C74 PolarHBondContact O-N 2.85Š|
| 73 | G | 28.3 | Very low | 32 | Very low | 78 Ų | 78 | 98.4 Ų | 98.4 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | -48.6 | 131.3 | -155.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 74 | C | 30.3 | Very low | 31.8 | Very low | 129 Ų | 129 | 96.2 Ų | 96.2 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | | | trans | -159.5 | 134.4 | 147.8 | -100.5 | 0 | 0 | 0 | 0 | 109.2 | G72 | G72-C74 PolarHBondContact O-N 2.85Š|
| 75 | G | 31.7 | Very low | 31.8 | Very low | 73 Ų | 73 | 96.9 Ų | 96.9 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | | | trans | -57.9 | 132.7 | -164.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | C77 | G75-C77 PolarHBondContact O-N 3.12Š|
| 76 | C | 27.2 | Very low | 31.7 | Very low | 135 Ų | 135 | 98.8 Ų | 98.8 | 91% | 0.912 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -70.2 | 70.8 | 165.6 | -39.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 77 | C | 30.3 | Very low | 31.8 | Very low | 121 Ų | 121 | 94.6 Ų | 94.6 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | -145.4 | 75.7 | 171.3 | -77.6 | 0 | 0 | 0 | 0 | 108.7 | G75 | G75-C77 PolarHBondContact O-N 3.12Š|
| 78 | G | 30.6 | Very low | 31.7 | Very low | 74 Ų | 74 | 99.9 Ų | 99.9 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | | | trans | -175.9 | 119.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 79 | G | 29.9 | Very low | 31.9 | Very low | 63 Ų | 63 | 98 Ų | 98 | 65% | 0.649 | 75% | 0.752 | S | S | * | * | | | trans | -60.9 | 165.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 80 | C | 26.9 | Very low | 32 | Very low | 114 Ų | 114 | 99.3 Ų | 99.3 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | | | trans | 67 | 53.3 | 140.8 | -37.1 | 0 | 0 | 0 | 0 | 116.9 | G82 | C80-G82 PolarHBondContact O-N 2.99Å; C80-G82 VanDerWaalsContact O-N 3.12Å |
| 81 | C | 34.3 | Very low | 32.4 | Very low | 94 Ų | 94 | 100.1 Ų | 100.1 | 64% | 0.635 | 74% | 0.736 | S | S | * | * | | | trans | -83.3 | 75.1 | 154.5 | -86.5 | 0 | 0 | 0 | 0 | 109.9 | C83 C87 | C81-C83 PolarHBondContact O-N 3.28Å; C81-C87 WeakPolarHBondContact O-CB 3.46Å |
| 82 | G | 35.1 | Very low | 32.5 | Very low | 63 Ų | 63 | 99.1 Ų | 99.1 | 65% | 0.649 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 24.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | C80 | C80-G82 PolarHBondContact O-N 2.99Å; C80-G82 VanDerWaalsContact O-N 3.12Å |
| 83 | C | 35 | Very low | 32.9 | Very low | 128 Ų | 128 | 98.4 Ų | 98.4 | 87% | 0.865 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | -6.7 | -179.8 | -54.1 | 0 | 0 | 0 | 0 | 112.8 | C81 | C81-C83 PolarHBondContact O-N 3.28Š|
| 84 | C | 32.5 | Very low | 33.5 | Very low | 81 Ų | 81 | 100.1 Ų | 100.1 | 55% | 0.547 | 71% | 0.706 | S | S | . | * | S | Bend | trans | -117.9 | 133.7 | 164.1 | -58.1 | 0 | 0 | 0 | 0 | 106.1 | C86 C87 | C84-C86 HydrophobicContact CB-CB 4.3Å; C84-C86 PolarHBondContact O-N 3.3Å; C84-C87 PolarHBondContact O-N 3.25Å |
| 85 | G | 31.7 | Very low | 34.2 | Very low | 90 Ų | 90 | 96.9 Ų | 96.9 | 93% | 0.928 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | 14.9 | 175 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 86 | C | 33.1 | Very low | 34.8 | Very low | 115 Ų | 115 | 102.3 Ų | 102.3 | 78% | 0.777 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -13.6 | 179.4 | -46.1 | 0 | 0 | 0 | 0 | 112.9 | C84 | C84-C86 HydrophobicContact CB-CB 4.3Å; C84-C86 PolarHBondContact O-N 3.3Å |
| 87 | C | 34.3 | Very low | 35.6 | Very low | 62 Ų | 62 | 106.7 Ų | 106.7 | 42% | 0.419 | 68% | 0.68 | S | S | . | * | | | trans | -131.6 | 60.1 | -176 | -63.1 | 0 | 0 | 0 | 0 | 111.3 | C81 C84 | C81-C87 WeakPolarHBondContact O-CB 3.46Å; C84-C87 PolarHBondContact O-N 3.25Å |
| 88 | K | 32.7 | Very low | 36.4 | Very low | 176 Ų | 176 | 104.6 Ų | 104.6 | 77% | 0.765 | 67% | 0.667 | S | S | * | * | | | trans | -59.6 | 132.3 | 156.8 | -85.8 | 174.6 | 175.1 | 169.1 | 0 | 106.6 | T90 | K88-T90 PolarHBondContact O-N 2.71Š|
| 89 | P | 36.8 | Very low | 37.1 | Very low | 112 Ų | 112 | 103.9 Ų | 103.9 | 73% | 0.727 | 65% | 0.649 | S | S | * | * | | | trans | -67.9 | 78.8 | 158.2 | 31.5 | -30.5 | 0 | 0 | 0 | 105 | V91 | P89-V91 PolarHBondContact O-N 2.92Š|
| 90 | T | 35.6 | Very low | 37.8 | Very low | 100 Ų | 100 | 102 Ų | 102 | 61% | 0.613 | 63% | 0.626 | S | S | * | * | | | trans | -56.9 | 106.9 | 146.8 | 21.2 | 0 | 0 | 0 | 0 | 102.4 | K88 V92 | K88-T90 PolarHBondContact O-N 2.71Å; T90-V92 WeakPolarHBondContact O-CG2 3.47Å; T90-V92 PolarHBondContact O-N 3.25Å |
| 91 | V | 38.3 | Very low | 38.5 | Very low | 95 Ų | 95 | 107.4 Ų | 107.4 | 58% | 0.576 | 63% | 0.63 | S | S | * | * | | | trans | -41.7 | 86.7 | 135.7 | -90 | 0 | 0 | 0 | 0 | 104.6 | P89 C93 | P89-V91 PolarHBondContact O-N 2.92Å; V91-C93 PolarHBondContact O-N 3.29Å |
| 92 | V | 37.3 | Very low | 39.3 | Very low | 108 Ų | 108 | 107.8 Ų | 107.8 | 66% | 0.655 | 63% | 0.634 | S | S | * | * | | | trans | -68.9 | 84.9 | 167.8 | 177.6 | 0 | 0 | 0 | 0 | 100 | T90 C94 | T90-V92 WeakPolarHBondContact O-CG2 3.47Å; T90-V92 PolarHBondContact O-N 3.25Å; V92-C94 VanDerWaalsContact C-N 3.3Å; V92-C94 PolarHBondContact O-N 2.75Å |
| 93 | C | 38.8 | Very low | 39.8 | Very low | 56 Ų | 56 | 108.9 Ų | 108.9 | 38% | 0.378 | 63% | 0.631 | S | S | . | * | | | trans | -43.8 | 113.8 | 158.5 | -80.8 | 0 | 0 | 0 | 0 | 103 | V91 C95 C110 | V91-C93 PolarHBondContact O-N 3.29Å; C93-C95 HydrophobicContact CB-CB 4.18Å; C93-C95 PolarHBondContact O-N 2.68Å; C93-C110 VanDerWaalsContact SG-SG 3.63Å |
| 94 | C | 42 | Very low | 40.1 | Very low | 113 Ų | 113 | 106.3 Ų | 106.3 | 76% | 0.764 | 63% | 0.625 | S | S | * | * | | | trans | -64.8 | 33.6 | 170.2 | -67.9 | 0 | 0 | 0 | 0 | 110.8 | V92 R96 | V92-C94 VanDerWaalsContact C-N 3.3Å; V92-C94 PolarHBondContact O-N 2.75Å; C94-R96 PolarHBondContact O-N 2.85Å |
| 95 | C | 43.9 | Very low | 40.6 | Very low | 61 Ų | 61 | 105.9 Ų | 105.9 | 41% | 0.412 | 62% | 0.622 | S | S | . | * | | | trans | -54 | 71.8 | 144.5 | -68.2 | 0 | 0 | 0 | 0 | 108.3 | C93 R97 C108 | C93-C95 HydrophobicContact CB-CB 4.18Å; C93-C95 PolarHBondContact O-N 2.68Å; C95-R97 PolarHBondContact O-N 3.47Å; C95-C108 HydrophobicContact CB-CB 4.36Å |
| 96 | R | 45.4 | Very low | 41.1 | Very low | 188 Ų | 188 | 105.5 Ų | 105.5 | 71% | 0.709 | 62% | 0.618 | S | S | * | * | | | trans | -45.1 | 133.8 | 147.5 | -87.9 | -169 | 173.9 | -178.4 | -1.5 | 105.3 | C94 S98 C99 C100 | C94-R96 PolarHBondContact O-N 2.85Å; R96-S98 CarbonylContact O-C 3.58Å; R96-S98 PolarHBondContact O-N 2.85Å; R96-C99 PolarHBondContact O-N 3.17Å; R96-C99 WeakPolarHBondContact O-CB 3.48Å; R96-C99 WeakPolarHBondContact O-CA 3.14Å; R96-C100 PolarHBondContact O-N 3.39Å |
| 97 | R | 43 | Very low | 41.6 | Very low | 226 Ų | 226 | 104.9 Ų | 104.9 | 85% | 0.853 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -51.5 | -21.9 | 172.8 | -150.9 | 172.6 | -81 | 179.8 | -5.9 | 111.2 | C95 R101 | C95-R97 PolarHBondContact O-N 3.47Å; R97-R101 PolarHBondContact O-N 2.64Å |
| 98 | S | 47.1 | Very low | 41.9 | Very low | 78 Ų | 78 | 105.2 Ų | 105.2 | 55% | 0.545 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66.9 | -37.9 | 168.8 | -34 | 0 | 0 | 0 | 0 | 114.9 | R96 S102 | R96-S98 CarbonylContact O-C 3.58Å; R96-S98 PolarHBondContact O-N 2.85Å; S98-S102 PolarHBondContact O-OG 2.75Å |
| 99 | C | 44.9 | Very low | 42.3 | Very low | 58 Ų | 58 | 99.7 Ų | 99.7 | 39% | 0.392 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -77.6 | -38.4 | 177.6 | -59 | 0 | 0 | 0 | 0 | 112 | R96 R101 S102 C103 | R96-C99 PolarHBondContact O-N 3.17Å; R96-C99 WeakPolarHBondContact O-CB 3.48Å; R96-C99 WeakPolarHBondContact O-CA 3.14Å; C99-R101 PolarHBondContact O-N 2.94Å; C99-S102 PolarHBondContact O-N 2.9Å; C99-C103 WeakPolarHBondContact O-CB 3.14Å; C99-C103 PolarHBondContact O-N 2.78Å; C99-C103 VanDerWaalsContact O-N 3.12Å; C99-C103 PolarHBondContact O-SG 2.08Å |
| 100 | C | 45 | Very low | 42.1 | Very low | 23 Ų | 23 | 98.1 Ų | 98.1 | 16% | 0.155 | 60% | 0.602 | C | S | . | * | H | α-helix | trans | -66.7 | -23 | 176.5 | -74.1 | 0 | 0 | 0 | 0 | 112.7 | R96 C108 | R96-C100 PolarHBondContact O-N 3.39Å; C100-C108 WeakPolarHBondContact CB-SG 3.48Å; C100-C108 WeakPolarHBondContact SG-CB 3.4Å; C100-C108 CovalentContact SG-SG 2.08Å; C100-C108 PolarHBondContact SG-SG 2.73Å |
| 101 | R | 42.2 | Very low | 42.2 | Very low | 228 Ų | 228 | 96.1 Ų | 96.1 | 86% | 0.86 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -76.6 | -27.8 | 175 | -87.6 | -170.1 | 172.5 | -175.3 | -1.9 | 114.1 | R97 C99 | R97-R101 PolarHBondContact O-N 2.64Å; C99-R101 PolarHBondContact O-N 2.94Å |
| 102 | S | 50.5 | Low | 41.8 | Very low | 103 Ų | 103 | 97.1 Ų | 97.1 | 72% | 0.72 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -92 | -22.2 | 178.5 | 5.9 | 0 | 0 | 0 | 0 | 113.3 | S98 C99 | S98-S102 PolarHBondContact O-OG 2.75Å; C99-S102 PolarHBondContact O-N 2.9Å |
| 103 | C | 46.1 | Very low | 41.7 | Very low | 86 Ų | 86 | 95.2 Ų | 95.2 | 58% | 0.581 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -88.9 | 0.8 | -176.9 | -64.3 | 0 | 0 | 0 | 0 | 114.6 | C99 C105 | C99-C103 WeakPolarHBondContact O-CB 3.14Å; C99-C103 PolarHBondContact O-N 2.78Å; C99-C103 VanDerWaalsContact O-N 3.12Å; C99-C103 PolarHBondContact O-SG 2.08Å; C103-C105 PolarHBondContact O-N 3.12Å; C103-C105 PolarHBondContact O-SG 3.07Å |
| 104 | G | 40.2 | Very low | 41.4 | Very low | 73 Ų | 73 | 97.6 Ų | 97.6 | 75% | 0.753 | 63% | 0.629 | S | S | * | * | | | trans | 62.8 | 5.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | G106 | G104-G106 VanDerWaalsContact O-N 3.07Å; G104-G106 PolarHBondContact O-N 2.89Å |
| 105 | C | 42.7 | Very low | 41.1 | Very low | 72 Ų | 72 | 95.8 Ų | 95.8 | 49% | 0.486 | 63% | 0.63 | S | S | . | * | | | trans | -82.4 | 89.4 | -178.7 | -50.8 | 0 | 0 | 0 | 0 | 109 | C103 S107 | C103-C105 PolarHBondContact O-N 3.12Å; C103-C105 PolarHBondContact O-SG 3.07Å; C105-S107 PolarHBondContact O-N 3.37Å |
| 106 | G | 43.2 | Very low | 40.7 | Very low | 82 Ų | 82 | 96.6 Ų | 96.6 | 85% | 0.845 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -62.9 | 11.2 | 179 | 0 | 0 | 0 | 0 | 0 | 116.2 | G104 | G104-G106 VanDerWaalsContact O-N 3.07Å; G104-G106 PolarHBondContact O-N 2.89Å |
| 107 | S | 43.3 | Very low | 40.3 | Very low | 103 Ų | 103 | 90.7 Ų | 90.7 | 72% | 0.72 | 63% | 0.633 | S | S | * | * | | | trans | -163.7 | 86.1 | 178.9 | 31.3 | 0 | 0 | 0 | 0 | 108.1 | C105 G109 | C105-S107 PolarHBondContact O-N 3.37Å; S107-G109 PolarHBondContact O-N 3.17Å |
| 108 | C | 40.6 | Very low | 39.7 | Very low | 68 Ų | 68 | 90.1 Ų | 90.1 | 46% | 0.459 | 64% | 0.637 | S | S | . | * | | | trans | -69.6 | 61.9 | 158.7 | 5 | 0 | 0 | 0 | 0 | 108.4 | C95 C100 C110 | C95-C108 HydrophobicContact CB-CB 4.36Å; C100-C108 WeakPolarHBondContact CB-SG 3.48Å; C100-C108 WeakPolarHBondContact SG-CB 3.4Å; C100-C108 CovalentContact SG-SG 2.08Å; C100-C108 PolarHBondContact SG-SG 2.73Å; C108-C110 PolarHBondContact O-N 2.77Å |
| 109 | G | 40.7 | Very low | 39.3 | Very low | 61 Ų | 61 | 88.8 Ų | 88.8 | 63% | 0.629 | 64% | 0.635 | S | S | * | * | | | trans | -76.6 | 107.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 105.3 | S107 G111 | S107-G109 PolarHBondContact O-N 3.17Å; G109-G111 PolarHBondContact O-N 3.43Å |
| 110 | C | 34.3 | Very low | 39.1 | Very low | 79 Ų | 79 | 91.1 Ų | 91.1 | 53% | 0.534 | 65% | 0.651 | S | S | . | * | | | trans | -63.3 | 69.9 | 171.5 | -61 | 0 | 0 | 0 | 0 | 109.8 | C93 C108 | C93-C110 VanDerWaalsContact SG-SG 3.63Å; C108-C110 PolarHBondContact O-N 2.77Å |
| 111 | G | 36.6 | Very low | 39.1 | Very low | 58 Ų | 58 | 95.3 Ų | 95.3 | 60% | 0.598 | 68% | 0.679 | S | S | * | * | | | trans | -100.9 | 112.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 104.9 | G109 G113 | G109-G111 PolarHBondContact O-N 3.43Å; G111-G113 PolarHBondContact O-N 3.25Å |
| 112 | C | 29.5 | Very low | 39.1 | Very low | 115 Ų | 115 | 92.1 Ų | 92.1 | 78% | 0.777 | 67% | 0.674 | S | S | * | * | | | trans | -62.7 | 72 | 167.5 | -71 | 0 | 0 | 0 | 0 | 109.3 | | |
| 113 | G | 35 | Very low | 38.6 | Very low | 69 Ų | 69 | 94.8 Ų | 94.8 | 71% | 0.711 | 68% | 0.675 | S | S | * | * | | | trans | -115.1 | 39.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | G111 G115 | G111-G113 PolarHBondContact O-N 3.25Å; G113-G115 PolarHBondContact O-N 2.66Å |
| 114 | C | 34.1 | Very low | 38.3 | Very low | 105 Ų | 105 | 100.2 Ų | 100.2 | 71% | 0.709 | 69% | 0.689 | S | S | * | * | | | trans | -63.2 | 83 | 171.2 | -70 | 0 | 0 | 0 | 0 | 107.4 | C116 | C114-C116 PolarHBondContact O-N 2.68Š|
| 115 | G | 35.5 | Very low | 38.4 | Very low | 75 Ų | 75 | 101.5 Ų | 101.5 | 77% | 0.773 | 69% | 0.685 | S | S | * | * | | | trans | -62.9 | 54.3 | 155.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | G113 G117 | G113-G115 PolarHBondContact O-N 2.66Å; G115-G117 PolarHBondContact O-N 3.35Å |
| 116 | C | 35.2 | Very low | 38.2 | Very low | 78 Ų | 78 | 103.7 Ų | 103.7 | 53% | 0.527 | 70% | 0.7 | S | S | . | * | | | trans | -70.7 | 52.9 | 163.6 | -64.5 | 0 | 0 | 0 | 0 | 108.2 | C114 K118 | C114-C116 PolarHBondContact O-N 2.68Å; C116-K118 PolarHBondContact O-N 2.72Å |
| 117 | G | 35.9 | Very low | 38.3 | Very low | 64 Ų | 64 | 105.7 Ų | 105.7 | 66% | 0.66 | 70% | 0.699 | S | S | * | * | | | trans | -71.5 | 111.4 | 160 | 0 | 0 | 0 | 0 | 0 | 107.2 | G115 | G115-G117 PolarHBondContact O-N 3.35Š|
| 118 | K | 31.7 | Very low | 38.2 | Very low | 215 Ų | 215 | 109.8 Ų | 109.8 | 94% | 0.935 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 51.2 | 76.9 | 163.8 | -58.7 | -174.3 | 177.7 | -179.1 | 0 | 115.6 | C116 | C116-K118 PolarHBondContact O-N 2.72Š|
| 119 | G | 38.9 | Very low | 38.1 | Very low | 49 Ų | 49 | 115.4 Ų | 115.4 | 51% | 0.505 | 73% | 0.727 | S | S | . | * | S | Bend | trans | 162.7 | -38.1 | 157.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | C121 | G119-C121 PolarHBondContact O-N 2.99Š|
| 120 | C | 40.3 | Very low | 38 | Very low | 107 Ų | 107 | 122.1 Ų | 122.1 | 72% | 0.723 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -3.6 | -164.4 | -70.6 | 0 | 0 | 0 | 0 | 117.1 | | |
| 121 | C | 44 | Very low | 38.1 | Very low | 111 Ų | 111 | 124.1 Ų | 124.1 | 75% | 0.75 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.2 | 14.6 | 176.2 | -78.3 | 0 | 0 | 0 | 0 | 113.3 | G119 Q123 | G119-C121 PolarHBondContact O-N 2.99Å; C121-Q123 PolarHBondContact O-N 3.29Å |
| 122 | Q | 42.9 | Very low | 37.9 | Very low | 162 Ų | 162 | 125 Ų | 125 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -77.8 | 105.6 | 167.3 | -74.2 | -169.2 | -21.3 | 0 | 0 | 108.8 | | |
| 123 | Q | 39 | Very low | 37.9 | Very low | 158 Ų | 158 | 125.1 Ų | 125.1 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 78.9 | 100.9 | 163 | -46.5 | -177.5 | 30.6 | 0 | 0 | 115 | C121 C125 | C121-Q123 PolarHBondContact O-N 3.29Å; Q123-C125 PolarHBondContact O-N 3.03Å |
| 124 | K | 40.8 | Very low | 37.7 | Very low | 201 Ų | 201 | 131.4 Ų | 131.4 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | | | trans | 78.5 | 13.1 | 151.5 | -54.6 | -179.4 | 179.7 | 178.2 | 0 | 119.4 | C126 | K124-C126 PolarHBondContact O-N 2.89Š|
| 125 | C | 42.7 | Very low | 37.4 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 68% | 0.676 | 78% | 0.778 | S | S | * | * | | | trans | -86.5 | 92.6 | 171.2 | -81.5 | 0 | 0 | 0 | 0 | 113.4 | Q123 | Q123-C125 PolarHBondContact O-N 3.03Š|
| 126 | C | 38.4 | Very low | 37 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | S | Bend | | 84.5 | 13 | 119.4 | -66.7 | 0 | 0 | 0 | 0 | 122.8 | K124 | K124-C126 PolarHBondContact O-N 2.89Š|
| 127 | C | 44.7 | Very low | 36.8 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -125.9 | -6.3 | 172.5 | -69.2 | 0 | 0 | 0 | 0 | 117.4 | | |
| 128 | Q | 40.8 | Very low | 36.7 | Very low | 190 Ų | 190 | 148.2 Ų | 148.2 | 89% | 0.888 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -108.9 | -4.5 | -169.5 | -86.7 | -171 | -3.5 | 0 | 0 | 118.7 | | |
| 129 | Q | 39 | Very low | 37 | Very low | 185 Ų | 185 | 144.9 Ų | 144.9 | 86% | 0.864 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -137.6 | 3.3 | -171.3 | -71.5 | -168.7 | 3.3 | 0 | 0 | 118.6 | | |
| 130 | K | 39.4 | Very low | 36.9 | Very low | 203 Ų | 203 | 149.9 Ų | 149.9 | 88% | 0.883 | 85% | 0.848 | S | S | * | * | | | trans | -135.2 | 15.5 | -176.5 | -69 | -169.5 | 179.2 | -178.6 | 0 | 116.9 | G132 | K130-G132 PolarHBondContact O-N 2.7Š|
| 131 | C | 36.8 | Very low | 36.7 | Very low | 121 Ų | 121 | 152.3 Ų | 152.3 | 82% | 0.818 | 86% | 0.855 | S | S | * | * | S | Bend | trans | -77 | 76.8 | 160.9 | -69.3 | 0 | 0 | 0 | 0 | 109.4 | C133 | C131-C133 PolarHBondContact O-N 2.68Š|
| 132 | G | 31.5 | Very low | 36.2 | Very low | 75 Ų | 75 | 154.7 Ų | 154.7 | 77% | 0.773 | 86% | 0.861 | S | S | * | * | S | Bend | trans | 44.8 | 0.5 | 133.3 | 0 | 0 | 0 | 0 | 0 | 123.8 | K130 K134 | K130-G132 PolarHBondContact O-N 2.7Å; G132-K134 PolarHBondContact O-N 3.1Å |
| 133 | C | 30.4 | Very low | 35.8 | Very low | 119 Ų | 119 | 154.3 Ų | 154.3 | 80% | 0.804 | 87% | 0.868 | S | S | * | * | | | trans | -95.7 | 29.9 | -174 | -61.8 | 0 | 0 | 0 | 0 | 114 | C131 | C131-C133 PolarHBondContact O-N 2.68Š|
| 134 | K | 30 | Very low | 35.6 | Very low | 200 Ų | 200 | 154 Ų | 154 | 87% | 0.87 | 88% | 0.876 | S | S | * | * | S | Bend | trans | -125.8 | 124.7 | 171.8 | -83.7 | -174.8 | 175.5 | -178.8 | 0 | 110.7 | G132 | G132-K134 PolarHBondContact O-N 3.1Š|
| 135 | K | 26.9 | Very low | 35.2 | Very low | 206 Ų | 206 | 150.6 Ų | 150.6 | 90% | 0.896 | 88% | 0.876 | S | S | * | * | | | trans | 94.3 | 87.1 | 175.2 | -61.8 | -175.8 | 172.9 | -178.3 | 0 | 115.4 | | |
| 136 | C | 28.4 | Very low | 34.7 | Very low | 131 Ų | 131 | 154.5 Ų | 154.5 | 89% | 0.885 | 89% | 0.892 | S | S | * | * | | | trans | -162.6 | 81.5 | 138.5 | -95.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 137 | C | 31 | Very low | 34.3 | Very low | 131 Ų | 131 | 157.6 Ų | 157.6 | 89% | 0.885 | 90% | 0.9 | S | S | * | * | | | trans | -140.3 | 114.6 | 141.9 | -82.8 | 0 | 0 | 0 | 0 | 104.6 | | |
| 138 | C | 33.4 | Very low | 33.4 | Very low | 207 Ų | 207 | 160.7 Ų | 160.7 | 100% | 1.399 | 91% | 0.906 | S | S | * | * | | | trans | -57.6 | 0 | 158.5 | -64 | 0 | 0 | 0 | 0 | 109.9 | | |