| 1 | M | 34.4 | Very low | 38.6 | Very low | 236 Ų | 236 | 140 Ų | 140 | 100% | 1.163 | 83% | 0.827 | S | S | * | * | | | | 0 | 112.2 | 0 | -64.3 | 147 | -178.8 | 0 | 0 | 105.5 | | |
| 2 | A | 38.1 | Very low | 38.2 | Very low | 91 Ų | 91 | 144.4 Ų | 144.4 | 75% | 0.752 | 83% | 0.828 | S | S | * | * | | | | 73.6 | 123.9 | 61.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 3 | L | 38.8 | Very low | 38.4 | Very low | 152 Ų | 152 | 150.7 Ų | 150.7 | 80% | 0.796 | 83% | 0.83 | S | S | * | * | | | cis | -157.5 | 159.7 | 6.4 | -96.1 | 149.2 | 0 | 0 | 0 | 111.8 | | |
| 4 | T | 45.3 | Very low | 38.2 | Very low | 110 Ų | 110 | 154.2 Ų | 154.2 | 68% | 0.675 | 83% | 0.833 | S | S | * | * | | | trans | 61.4 | 130 | 141 | 55.1 | 0 | 0 | 0 | 0 | 125.8 | | |
| 5 | D | 43.1 | Very low | 37.9 | Very low | 158 Ų | 158 | 148.3 Ų | 148.3 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | | | | 56.6 | 146.7 | 127.3 | -70.7 | -94.3 | 0 | 0 | 0 | 126.8 | | |
| 6 | G | 35.5 | Very low | 38 | Very low | 80 Ų | 80 | 145.3 Ų | 145.3 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | | | trans | 85.9 | 145.1 | 152.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 7 | G | 33.5 | Very low | 37.9 | Very low | 69 Ų | 69 | 142.9 Ų | 142.9 | 71% | 0.711 | 83% | 0.826 | S | S | * | * | | | cis | 174.9 | 140.8 | -6.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 8 | W | 36.4 | Very low | 37.8 | Very low | 251 Ų | 251 | 139.3 Ų | 139.3 | 95% | 0.951 | 82% | 0.824 | S | S | * | * | | | trans | -18.2 | 134.6 | 170.6 | -60.9 | 68 | 0 | 0 | 0 | 118.5 | | |
| 9 | C | 32.9 | Very low | 37.8 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 85% | 0.851 | 83% | 0.825 | S | S | * | * | | | | 178.3 | 147.5 | 117.5 | -99.7 | 0 | 0 | 0 | 0 | 116.2 | | |
| 10 | L | 35 | Very low | 37.8 | Very low | 161 Ų | 161 | 138.5 Ų | 138.5 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | | | trans | -89.8 | -179 | 153.9 | -107.3 | 75.4 | 0 | 0 | 0 | 108.6 | | |
| 11 | P | 51.4 | Low | 37.8 | Very low | 106 Ų | 106 | 136.9 Ų | 136.9 | 69% | 0.688 | 83% | 0.829 | S | S | * | * | | | cis | -131.8 | -161.9 | -6.1 | 36.5 | -15.6 | 0 | 0 | 0 | 112.3 | | |
| 12 | K | 34.3 | Very low | 38.1 | Very low | 193 Ų | 193 | 131.4 Ų | 131.4 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | | | | 158 | 165.3 | 101.8 | -150.5 | 157.2 | -175.3 | 176.2 | 0 | 113.4 | | |
| 13 | R | 40.8 | Very low | 38.1 | Very low | 226 Ų | 226 | 135 Ų | 135 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | | | trans | -122.6 | 149 | -169.2 | 168.1 | -168.9 | -178.2 | -165.8 | 4.4 | 109.4 | | |
| 14 | F | 35.5 | Very low | 38.2 | Very low | 200 Ų | 200 | 133.1 Ų | 133.1 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | | | trans | -133.6 | 151.4 | 168.6 | -95.5 | -84.2 | 0 | 0 | 0 | 112.6 | | |
| 15 | G | 34 | Very low | 37.6 | Very low | 65 Ų | 65 | 131.7 Ų | 131.7 | 67% | 0.67 | 83% | 0.827 | S | S | * | * | | | trans | -128.9 | -158.3 | 157.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 16 | A | 38.8 | Very low | 37.4 | Very low | 100 Ų | 100 | 128.7 Ų | 128.7 | 83% | 0.826 | 82% | 0.824 | S | S | * | * | | | cis | -164.4 | -165.1 | 2.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 17 | A | 35.8 | Very low | 37.4 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 88% | 0.876 | 83% | 0.827 | S | S | * | * | | | trans | 73.9 | 150.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 18 | G | 37 | Very low | 38.4 | Very low | 77 Ų | 77 | 137 Ų | 137 | 79% | 0.794 | 83% | 0.831 | S | S | * | * | | | cis | 140.9 | 122 | -12.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 19 | A | 36.8 | Very low | 38.5 | Very low | 101 Ų | 101 | 129.8 Ų | 129.8 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | | | trans | -164.7 | 151.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 20 | D | 37.6 | Very low | 38.5 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 87% | 0.866 | 83% | 0.827 | S | S | * | * | | | trans | -101.2 | 157.5 | -171.9 | -55.6 | -94.4 | 0 | 0 | 0 | 114.8 | | |
| 21 | A | 38.8 | Very low | 38.8 | Very low | 105 Ų | 105 | 135 Ų | 135 | 87% | 0.868 | 83% | 0.826 | S | S | * | * | | | trans | -159.8 | 143.4 | 146.4 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 22 | S | 40 | Very low | 38.8 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | | | trans | -122.6 | 144.5 | -178.6 | -49.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 23 | D | 38.4 | Very low | 39 | Very low | 166 Ų | 166 | 132.1 Ų | 132.1 | 89% | 0.888 | 83% | 0.83 | S | S | * | * | | | trans | -149.8 | 161.5 | 151.9 | -165.2 | 20.4 | 0 | 0 | 0 | 110.7 | | |
| 24 | S | 41.9 | Very low | 39.1 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 79% | 0.79 | 83% | 0.829 | S | S | * | * | | | trans | -125.8 | 132.3 | -164.9 | -58.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 25 | G | 32.4 | Very low | 39.7 | Very low | 79 Ų | 79 | 123.3 Ų | 123.3 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | | | trans | -151.4 | 108.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 26 | A | 38.8 | Very low | 40.2 | Very low | 95 Ų | 95 | 126.1 Ų | 126.1 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | | | trans | -104.8 | 134.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 27 | F | 35.9 | Very low | 40 | Very low | 203 Ų | 203 | 126.6 Ų | 126.6 | 89% | 0.89 | 82% | 0.824 | S | S | * | * | | | trans | -138.8 | 148.6 | 164 | -78.6 | -73.1 | 0 | 0 | 0 | 110.7 | | |
| 28 | P | 53 | Low | 40.6 | Very low | 122 Ų | 122 | 127.5 Ų | 127.5 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | | | trans | -89.7 | 161.9 | -159.4 | 35 | -37.5 | 0 | 0 | 0 | 115.3 | | |
| 29 | A | 38.9 | Very low | 40.6 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 81% | 0.81 | 82% | 0.824 | S | S | * | * | | | trans | -74.8 | 161.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 30 | R | 34 | Very low | 40.3 | Very low | 243 Ų | 243 | 132.6 Ų | 132.6 | 92% | 0.917 | 82% | 0.823 | S | S | * | * | | | trans | -140.6 | 134.2 | 160.6 | -71.8 | -172.8 | 64.6 | -162.9 | -2.6 | 110.1 | | |
| 31 | D | 41.2 | Very low | 40.1 | Very low | 155 Ų | 155 | 130.4 Ų | 130.4 | 83% | 0.829 | 82% | 0.821 | S | S | * | * | | | trans | -78.5 | 164.4 | 177.1 | -96 | -55.4 | 0 | 0 | 0 | 113.5 | | |
| 32 | P | 51 | Low | 39.9 | Very low | 115 Ų | 115 | 131.1 Ų | 131.1 | 75% | 0.747 | 82% | 0.819 | S | S | * | * | | | trans | -88.3 | 149 | -169 | 34.7 | -35.9 | 0 | 0 | 0 | 114.6 | | |
| 33 | S | 37.9 | Very low | 39.5 | Very low | 123 Ų | 123 | 130 Ų | 130 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | | | trans | -139.1 | 138.3 | 167.7 | -64.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 34 | T | 44.2 | Very low | 39.3 | Very low | 135 Ų | 135 | 126.9 Ų | 126.9 | 83% | 0.828 | 80% | 0.803 | S | S | * | * | | | trans | -101.4 | -172.1 | -175.5 | -26.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 35 | P | 46.4 | Very low | 38.9 | Very low | 105 Ų | 105 | 127.3 Ų | 127.3 | 68% | 0.682 | 81% | 0.806 | S | S | * | * | | | | -96 | 167.7 | -111 | 40.8 | -30.1 | 0 | 0 | 0 | 115.5 | | |
| 36 | P | 44.8 | Very low | 39 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | | | trans | -88.5 | 151.5 | 165.6 | 35.5 | -32.9 | 0 | 0 | 0 | 113.2 | | |
| 37 | S | 35.8 | Very low | 38.9 | Very low | 111 Ų | 111 | 130.2 Ų | 130.2 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | | | trans | -154 | 163.5 | 167.8 | -83.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 38 | P | 48.6 | Very low | 38.9 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | | | | -84.9 | 151.7 | -124.5 | 30.4 | -38 | 0 | 0 | 0 | 115.6 | | |
| 39 | I | 35.5 | Very low | 37.9 | Very low | 168 Ų | 168 | 130.2 Ų | 130.2 | 86% | 0.862 | 81% | 0.809 | S | S | * | * | | | trans | -109.6 | 123.9 | 167.3 | 43.8 | 172.9 | 0 | 0 | 0 | 110.1 | | |
| 40 | S | 32 | Very low | 37.7 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | trans | -98.5 | 135.9 | 169.2 | -59.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 41 | S | 32.2 | Very low | 37.9 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -150.7 | 110.4 | 169.3 | -67.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 42 | S | 34.4 | Very low | 37.8 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | | | trans | -66.9 | 164.3 | 152.5 | -36.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 43 | S | 32.6 | Very low | 36.9 | Very low | 97 Ų | 97 | 125.7 Ų | 125.7 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | | | cis | -161.1 | -178.4 | 10.9 | 52.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 44 | S | 33.2 | Very low | 37.7 | Very low | 101 Ų | 101 | 126.2 Ų | 126.2 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | | | trans | 66 | 145.3 | 151.8 | 40.6 | 0 | 0 | 0 | 0 | 118.6 | | |
| 45 | S | 34.2 | Very low | 37.2 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | cis | -156.6 | 162.1 | -7.2 | -98.8 | 0 | 0 | 0 | 0 | 111 | | |
| 46 | C | 35.3 | Very low | 36.6 | Very low | 121 Ų | 121 | 122.6 Ų | 122.6 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | -92.7 | 160 | 178.1 | 57 | 0 | 0 | 0 | 0 | 113.9 | | |
| 47 | S | 35.4 | Very low | 36.2 | Very low | 114 Ų | 114 | 121.1 Ų | 121.1 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | | | trans | -170.1 | 147.6 | 173.8 | -88.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 48 | R | 37.2 | Very low | 36.4 | Very low | 248 Ų | 248 | 121.1 Ų | 121.1 | 94% | 0.936 | 80% | 0.803 | S | S | * | * | | | cis | -160.2 | 164.4 | 0.8 | -140.1 | 177.4 | 176.3 | -171.7 | -0.9 | 112 | | |
| 49 | G | 32.1 | Very low | 35.9 | Very low | 77 Ų | 77 | 122.6 Ų | 122.6 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | | | trans | 126.6 | 131.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 50 | G | 33.3 | Very low | 35.7 | Very low | 75 Ų | 75 | 120.8 Ų | 120.8 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | | | cis | 131.6 | 127.1 | 18.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 51 | E | 38.5 | Very low | 35.7 | Very low | 150 Ų | 150 | 118.9 Ų | 118.9 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | | | cis | -151.7 | 179.4 | 22.3 | -44.9 | 170 | 95.4 | 0 | 0 | 113 | | |
| 52 | R | 38.8 | Very low | 35.8 | Very low | 218 Ų | 218 | 119.6 Ų | 119.6 | 82% | 0.823 | 80% | 0.804 | S | S | * | * | | | trans | 72.7 | 147.3 | 156.4 | -61.3 | 162.6 | -145.8 | -110.2 | -1.5 | 119.4 | | |
| 53 | G | 32.5 | Very low | 36.6 | Very low | 72 Ų | 72 | 119.2 Ų | 119.2 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | | | trans | -128.2 | -150.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 54 | P | 55.6 | Low | 36.7 | Very low | 134 Ų | 134 | 121 Ų | 121 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | | | cis | -136.6 | 176.4 | 11.9 | 43 | -26 | 0 | 0 | 0 | 116.8 | | |
| 55 | G | 33.4 | Very low | 36.9 | Very low | 83 Ų | 83 | 122.7 Ų | 122.7 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | | | trans | 82.5 | 146.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 56 | G | 33.3 | Very low | 36.6 | Very low | 82 Ų | 82 | 123 Ų | 123 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | | | cis | 129.3 | 126.4 | 5.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 57 | A | 37.2 | Very low | 36.8 | Very low | 92 Ų | 92 | 121.2 Ų | 121.2 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | | | cis | -160.4 | 164.4 | 0.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 58 | S | 40 | Very low | 36.7 | Very low | 111 Ų | 111 | 125 Ų | 125 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | | | trans | 61.8 | 149 | 155.4 | -59.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 59 | N | 36.5 | Very low | 36.4 | Very low | 156 Ų | 156 | 117.7 Ų | 117.7 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | | | cis | -141.6 | 165.9 | 19.1 | -118.6 | -17.6 | 0 | 0 | 0 | 113 | | |
| 60 | C | 32.4 | Very low | 36.6 | Very low | 130 Ų | 130 | 118.4 Ų | 118.4 | 88% | 0.878 | 78% | 0.779 | S | S | * | * | | | trans | -119 | 165 | -178 | -58.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 61 | G | 31.8 | Very low | 36.5 | Very low | 76 Ų | 76 | 120.3 Ų | 120.3 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | | | trans | -158 | 128.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 62 | T | 34.7 | Very low | 36.2 | Very low | 133 Ų | 133 | 116.3 Ų | 116.3 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | | | trans | -141.5 | 177.1 | -177 | 52.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 63 | P | 50.9 | Low | 36.8 | Very low | 112 Ų | 112 | 111.9 Ų | 111.9 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | cis | -111.4 | -121.1 | 1.6 | 30.1 | -6.5 | 0 | 0 | 0 | 112.4 | | |
| 64 | Q | 33.8 | Very low | 37.5 | Very low | 135 Ų | 135 | 114 Ų | 114 | 63% | 0.631 | 79% | 0.786 | S | S | * | * | | | cis | -153.8 | 167.9 | 10.4 | -178.9 | 44.8 | 31.4 | 0 | 0 | 111.6 | | |
| 65 | L | 38.3 | Very low | 36.2 | Very low | 135 Ų | 135 | 111.9 Ų | 111.9 | 71% | 0.707 | 78% | 0.78 | S | S | * | * | | | trans | -82.3 | -178.1 | 176.1 | -45.2 | 172.5 | 0 | 0 | 0 | 111.5 | | |
| 66 | D | 28.5 | Very low | 36.3 | Very low | 128 Ų | 128 | 118.4 Ų | 118.4 | 68% | 0.684 | 78% | 0.779 | S | S | * | * | | | cis | -142.1 | 163.2 | 18.3 | -81.1 | -71.6 | 0 | 0 | 0 | 109.1 | | |
| 67 | A | 37.8 | Very low | 36 | Very low | 84 Ų | 84 | 119.8 Ų | 119.8 | 69% | 0.694 | 78% | 0.776 | S | S | * | * | | | | 66.4 | 140.6 | 51.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 68 | E | 33.8 | Very low | 36 | Very low | 193 Ų | 193 | 123 Ų | 123 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | | | cis | -156.2 | -176.8 | 4.3 | -168.7 | 160.7 | 81.2 | 0 | 0 | 111.5 | | |
| 69 | A | 32.3 | Very low | 35.7 | Very low | 95 Ų | 95 | 126.1 Ų | 126.1 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | trans | 101.1 | 152.1 | 152.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 70 | A | 35.3 | Very low | 35.4 | Very low | 93 Ų | 93 | 125.8 Ų | 125.8 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | | -179.3 | 132.7 | -59.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 71 | A | 31.7 | Very low | 35.3 | Very low | 115 Ų | 115 | 125 Ų | 125 | 95% | 0.95 | 78% | 0.78 | S | S | * | * | | | trans | 57.7 | 161.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 72 | G | 31.2 | Very low | 35.3 | Very low | 66 Ų | 66 | 126 Ų | 126 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | | | cis | -165 | 174.2 | -3.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 73 | P | 51.8 | Low | 35.1 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | | | trans | -92 | -170.3 | -173 | 42.1 | -39.9 | 0 | 0 | 0 | 112.2 | | |
| 74 | P | 46.8 | Very low | 34.2 | Very low | 116 Ų | 116 | 129.7 Ų | 129.7 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | | | cis | -145.8 | -172.9 | 12.9 | 45.3 | -24.9 | 0 | 0 | 0 | 118.9 | | |
| 75 | A | 29.7 | Very low | 34.2 | Very low | 89 Ų | 89 | 128.5 Ų | 128.5 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | | | trans | 73 | 115.2 | 148.3 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 76 | R | 34.1 | Very low | 34.2 | Very low | 221 Ų | 221 | 131 Ų | 131 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | | | trans | -143.2 | 129.5 | 150.4 | -58.7 | -178.4 | 74.4 | 167.4 | 3.5 | 105.7 | | |
| 77 | S | 28.5 | Very low | 34.8 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | cis | 62.6 | 91.4 | 29.7 | -59.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 78 | L | 35.6 | Very low | 34.6 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | | | trans | -121.3 | 138.6 | 156.8 | -71.7 | 178.2 | 0 | 0 | 0 | 108.3 | | |
| 79 | L | 35.6 | Very low | 34.5 | Very low | 178 Ų | 178 | 130.7 Ų | 130.7 | 93% | 0.932 | 80% | 0.799 | S | S | * | * | | | trans | -94.7 | 157.8 | -170.7 | -80.1 | 166.6 | 0 | 0 | 0 | 112.8 | | |
| 80 | L | 30.2 | Very low | 34.7 | Very low | 148 Ų | 148 | 132.2 Ų | 132.2 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | | | trans | -82.7 | 138.7 | 174.9 | -169.8 | 71.4 | 0 | 0 | 0 | 110.7 | | |
| 81 | S | 29.4 | Very low | 35.4 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | -141.9 | 115.3 | 153.9 | -69.6 | 0 | 0 | 0 | 0 | 106.7 | | |
| 82 | S | 32.2 | Very low | 35.6 | Very low | 95 Ų | 95 | 136.6 Ų | 136.6 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | | | | 70.6 | 78.2 | 52 | -52.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 83 | Y | 30.2 | Very low | 35.7 | Very low | 242 Ų | 242 | 136.6 Ų | 136.6 | 95% | 0.949 | 79% | 0.793 | S | S | * | * | | | trans | -125.5 | 137.8 | 155 | -133.1 | -91.3 | 0 | 0 | 0 | 107.1 | | |
| 84 | A | 32.7 | Very low | 35.5 | Very low | 82 Ų | 82 | 137 Ų | 137 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | | | trans | -142.8 | 159.2 | -165.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 85 | S | 33.9 | Very low | 34.9 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | | | trans | 67.5 | 102.9 | 159.5 | -54.5 | 0 | 0 | 0 | 0 | 118.3 | | |
| 86 | H | 36.3 | Very low | 35.2 | Very low | 186 Ų | 186 | 137.5 Ų | 137.5 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | | | trans | -61.3 | 152.5 | 141.7 | -66.5 | -98.2 | 0 | 0 | 0 | 109.9 | | |
| 87 | P | 43.1 | Very low | 35.9 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | | | trans | -136.4 | 123.5 | 134.6 | 34.2 | -21.5 | 0 | 0 | 0 | 112.3 | | |
| 88 | F | 33.3 | Very low | 36.1 | Very low | 213 Ų | 213 | 131.4 Ų | 131.4 | 93% | 0.934 | 80% | 0.802 | S | S | * | * | | | trans | -131.7 | 126.3 | 153.9 | -91.5 | -78.1 | 0 | 0 | 0 | 108.2 | | |
| 89 | G | 31.1 | Very low | 36 | Very low | 73 Ų | 73 | 131.2 Ų | 131.2 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 160.2 | -164.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 90 | V | 35.7 | Very low | 36 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 134.3 | 160.6 | 175 | 0 | 0 | 0 | 0 | 109 | | |
| 91 | P | 49.7 | Very low | 35.9 | Very low | 117 Ų | 117 | 123.6 Ų | 123.6 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 132.9 | 155.1 | 33.3 | -27.5 | 0 | 0 | 0 | 110.6 | | |
| 92 | H | 36.1 | Very low | 37 | Very low | 184 Ų | 184 | 124.9 Ų | 124.9 | 85% | 0.852 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 150.3 | 166.4 | -68.5 | -113.4 | 0 | 0 | 0 | 109.8 | | |
| 93 | G | 33 | Very low | 36.9 | Very low | 65 Ų | 65 | 124 Ų | 124 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 170.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 94 | P | 48.9 | Very low | 36.9 | Very low | 135 Ų | 135 | 116.5 Ų | 116.5 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 171.7 | 165.6 | 37.1 | -31.4 | 0 | 0 | 0 | 112.2 | | |
| 95 | S | 32.8 | Very low | 37 | Very low | 117 Ų | 117 | 119.6 Ų | 119.6 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | trans | -122.7 | 155.9 | -168.6 | -53 | 0 | 0 | 0 | 0 | 114.7 | | |
| 96 | A | 36.4 | Very low | 36.8 | Very low | 97 Ų | 97 | 121.1 Ų | 121.1 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | | | trans | 68 | 166.5 | 157.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 97 | P | 48.7 | Very low | 36.7 | Very low | 133 Ų | 133 | 117.8 Ų | 117.8 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | | | cis | -112.3 | -173.7 | -3.1 | 41 | -29.4 | 0 | 0 | 0 | 113.8 | | |
| 98 | G | 32.6 | Very low | 36.1 | Very low | 72 Ų | 72 | 117.4 Ų | 117.4 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | | | trans | -131.6 | 172.2 | -177 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 99 | V | 35.1 | Very low | 36 | Very low | 153 Ų | 153 | 116.7 Ų | 116.7 | 93% | 0.927 | 80% | 0.798 | S | S | * | * | | | trans | -140.8 | 161.8 | 178.6 | 177.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 100 | A | 33.9 | Very low | 36.1 | Very low | 95 Ų | 95 | 120.5 Ų | 120.5 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | trans | -82.2 | 172.9 | -168.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 101 | G | 28.3 | Very low | 35.9 | Very low | 71 Ų | 71 | 121.1 Ų | 121.1 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | | | trans | -83.8 | -150.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 102 | P | 52.7 | Low | 35.1 | Very low | 143 Ų | 143 | 121.4 Ų | 121.4 | 93% | 0.929 | 79% | 0.79 | S | S | * | * | | | cis | -136.2 | -173.1 | 11.3 | 43.4 | -25.4 | 0 | 0 | 0 | 116.1 | | |
| 103 | G | 30.2 | Very low | 35 | Very low | 77 Ų | 77 | 119.3 Ų | 119.3 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | | | trans | 154.4 | 141.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 104 | G | 31.3 | Very low | 34.9 | Very low | 83 Ų | 83 | 122.6 Ų | 122.6 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | | | cis | 101.2 | 128 | 42.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 105 | N | 32.9 | Very low | 34 | Very low | 147 Ų | 147 | 125.1 Ų | 125.1 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | | | cis | -159.3 | -176.4 | 12.3 | -152.8 | 8.2 | 0 | 0 | 0 | 112.3 | | |
| 106 | L | 31.3 | Very low | 34 | Very low | 143 Ų | 143 | 125.2 Ų | 125.2 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | | | trans | -22.2 | 158.8 | 163.4 | -63.7 | 163.5 | 0 | 0 | 0 | 118.5 | | |
| 107 | S | 32.9 | Very low | 33.6 | Very low | 116 Ų | 116 | 126.9 Ų | 126.9 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | | | | -174.7 | 173.3 | 76.2 | -62.4 | 0 | 0 | 0 | 0 | 116.1 | | |
| 108 | S | 31.2 | Very low | 32.8 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | | | trans | -135.4 | -156.8 | 164.1 | -148.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 109 | W | 30.6 | Very low | 32.8 | Very low | 198 Ų | 198 | 130.1 Ų | 130.1 | 75% | 0.75 | 77% | 0.767 | S | S | * | * | | | cis | -161.9 | 154.7 | 15.5 | 25.5 | -89.5 | 0 | 0 | 0 | 110 | | |
| 110 | E | 33.8 | Very low | 32.7 | Very low | 152 Ų | 152 | 131 Ų | 131 | 71% | 0.71 | 76% | 0.761 | S | S | * | * | | | trans | 58.9 | 168.5 | 163.1 | -70 | 146.2 | -179.5 | 0 | 0 | 116.9 | L112 | E110-L112 HydrophobicContact CG-CD1 4.38Š|
| 111 | D | 30.5 | Very low | 32.6 | Very low | 140 Ų | 140 | 130.3 Ų | 130.3 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | | | cis | -120 | 163 | 0.2 | -85.4 | -58.4 | 0 | 0 | 0 | 109.8 | | |
| 112 | L | 33.3 | Very low | 32.8 | Very low | 123 Ų | 123 | 131 Ų | 131 | 64% | 0.644 | 75% | 0.754 | S | S | * | * | | | cis | 99.7 | 108.6 | 24.6 | -71.3 | 173.9 | 0 | 0 | 0 | 117.4 | E110 | E110-L112 HydrophobicContact CG-CD1 4.38Š|
| 113 | L | 34.8 | Very low | 31.9 | Very low | 140 Ų | 140 | 130.7 Ų | 130.7 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | | | trans | 84.5 | 129.9 | 138.5 | -63.2 | 173 | 0 | 0 | 0 | 124.5 | | |
| 114 | L | 31.3 | Very low | 32.1 | Very low | 133 Ų | 133 | 131.4 Ų | 131.4 | 70% | 0.696 | 75% | 0.748 | S | S | * | * | | | trans | 68.2 | 148.8 | 147.5 | -62.1 | 164.2 | 0 | 0 | 0 | 117.9 | | |
| 115 | F | 29.1 | Very low | 32 | Very low | 189 Ų | 189 | 133.4 Ų | 133.4 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | | | cis | -135 | -179.2 | 28.3 | -103.7 | -91.8 | 0 | 0 | 0 | 115.3 | | |
| 116 | T | 33 | Very low | 32.1 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | | | trans | -70.6 | 178.2 | 166.7 | 53.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 117 | D | 27.4 | Very low | 32.2 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | cis | -163.5 | 173.7 | 22.5 | -164.9 | -157.2 | 0 | 0 | 0 | 113.3 | | |
| 118 | L | 32.5 | Very low | 32.4 | Very low | 153 Ų | 153 | 140 Ų | 140 | 80% | 0.801 | 76% | 0.764 | S | S | * | * | | | trans | 78.7 | 150.7 | 144.7 | -139.4 | 55.5 | 0 | 0 | 0 | 124.4 | | |
| 119 | D | 32.3 | Very low | 32.2 | Very low | 121 Ų | 121 | 145.9 Ų | 145.9 | 65% | 0.647 | 77% | 0.77 | S | S | * | * | | | trans | -62.1 | 151.4 | -177.7 | -166.3 | 74.3 | 0 | 0 | 0 | 116.1 | | |
| 120 | Q | 33.5 | Very low | 32.1 | Very low | 171 Ų | 171 | 140.5 Ų | 140.5 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | | | | 178 | 135.3 | 110.1 | -153.9 | 118.2 | 107.5 | 0 | 0 | 116.7 | | |
| 121 | A | 30.7 | Very low | 32.1 | Very low | 80 Ų | 80 | 137.3 Ų | 137.3 | 66% | 0.661 | 76% | 0.758 | S | S | * | * | | | trans | 27.5 | 116.6 | 147.1 | 0 | 0 | 0 | 0 | 0 | 124.2 | | |
| 122 | A | 32.5 | Very low | 32.2 | Very low | 87 Ų | 87 | 141.9 Ų | 141.9 | 72% | 0.719 | 76% | 0.764 | S | S | * | * | | | | 70.9 | 152.8 | 112.7 | 0 | 0 | 0 | 0 | 0 | 124.3 | | |
| 123 | T | 34.3 | Very low | 32.2 | Very low | 135 Ų | 135 | 139.7 Ų | 139.7 | 83% | 0.828 | 77% | 0.771 | S | S | * | * | | | trans | 57.4 | 112 | 160.7 | 44.9 | 0 | 0 | 0 | 0 | 118.6 | | |
| 124 | A | 34.1 | Very low | 32.1 | Very low | 93 Ų | 93 | 138 Ų | 138 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | | | | 88.8 | 133.4 | 52.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 125 | S | 30.5 | Very low | 32.2 | Very low | 124 Ų | 124 | 140.9 Ų | 140.9 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | | | trans | -155.9 | 132.3 | 160.1 | -84.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 126 | K | 34.8 | Very low | 32.3 | Very low | 205 Ų | 205 | 139.8 Ų | 139.8 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | | | trans | -114.1 | 142.6 | 160.2 | -78.1 | -177.8 | 174.5 | -179.2 | 0 | 107.1 | | |
| 127 | L | 33.1 | Very low | 32.2 | Very low | 185 Ų | 185 | 139.3 Ų | 139.3 | 97% | 0.969 | 79% | 0.788 | S | S | * | * | | | trans | -89.2 | 161.1 | 165.9 | -72.5 | 177.1 | 0 | 0 | 0 | 111.8 | | |
| 128 | L | 36.4 | Very low | 33.2 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | | | trans | -120.4 | 145.4 | -162.1 | -161.8 | 85.7 | 0 | 0 | 0 | 110.3 | | |
| 129 | W | 28 | Very low | 33.1 | Very low | 228 Ų | 228 | 140 Ų | 140 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | | | trans | -149.6 | 152.8 | 140.5 | -165.9 | -102.2 | 0 | 0 | 0 | 110.9 | | |
| 130 | S | 28.1 | Very low | 33.1 | Very low | 85 Ų | 85 | 138.4 Ų | 138.4 | 59% | 0.594 | 79% | 0.792 | S | S | * | * | | | trans | -166.6 | 170.2 | 177.8 | -79.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 131 | S | 32.8 | Very low | 33.6 | Very low | 86 Ų | 86 | 135.7 Ų | 135.7 | 60% | 0.601 | 79% | 0.789 | S | S | * | * | | | trans | 82.7 | 142.9 | -179.2 | -57.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 132 | R | 34.4 | Very low | 33.6 | Very low | 236 Ų | 236 | 140.4 Ų | 140.4 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | | | cis | -165 | 156.7 | -3.2 | -116.8 | 166.9 | -140.3 | -157.3 | 1.1 | 112.1 | | |
| 133 | G | 32.9 | Very low | 33.5 | Very low | 76 Ų | 76 | 144.1 Ų | 144.1 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | | | trans | 90.4 | 147.2 | 149.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 134 | A | 31.9 | Very low | 34 | Very low | 105 Ų | 105 | 142.9 Ų | 142.9 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | | | cis | -151.9 | 179.3 | -5.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 135 | K | 33.8 | Very low | 33.9 | Very low | 193 Ų | 193 | 146.6 Ų | 146.6 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | | | trans | -65.1 | 162.8 | 176.6 | -63.5 | 179.7 | 175.7 | 179.9 | 0 | 111 | | |
| 136 | L | 31.1 | Very low | 34.3 | Very low | 167 Ų | 167 | 149.4 Ų | 149.4 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | | | | -153.2 | -177.2 | 50.1 | -78 | 162.4 | 0 | 0 | 0 | 113.7 | | |
| 137 | S | 31.5 | Very low | 34.2 | Very low | 108 Ų | 108 | 147.8 Ų | 147.8 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | | | trans | -149.4 | 172.7 | 178.5 | -155.1 | 0 | 0 | 0 | 0 | 106.6 | | |
| 138 | P | 48.7 | Very low | 34.3 | Very low | 94 Ų | 94 | 149 Ų | 149 | 61% | 0.61 | 79% | 0.786 | S | S | * | * | | | cis | -141.4 | -175.7 | 9 | 39.1 | -17.4 | 0 | 0 | 0 | 117.2 | | |
| 139 | F | 30.1 | Very low | 34.2 | Very low | 204 Ų | 204 | 150.6 Ų | 150.6 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | | | trans | 68.1 | 146.4 | 163.1 | -73.9 | -71.2 | 0 | 0 | 0 | 120.6 | | |
| 140 | A | 32.3 | Very low | 34.5 | Very low | 89 Ų | 89 | 144.2 Ų | 144.2 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | | | trans | -109 | 170.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 141 | P | 44.2 | Very low | 34.8 | Very low | 114 Ų | 114 | 148 Ų | 148 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | | | | -146.6 | -164.9 | 70.3 | 39.2 | -18.5 | 0 | 0 | 0 | 114.6 | | |
| 142 | E | 30.1 | Very low | 35 | Very low | 178 Ų | 178 | 149 Ų | 149 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | | | trans | 70.5 | 124.2 | 163 | -59.5 | -62.6 | 73.2 | 0 | 0 | 121.1 | | |
| 143 | Q | 30.9 | Very low | 35 | Very low | 166 Ų | 166 | 142.1 Ų | 142.1 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | -81.1 | 164.1 | 147.9 | -75.9 | -85.3 | -31.1 | 0 | 0 | 107.9 | | |
| 144 | P | 43.7 | Very low | 34.9 | Very low | 109 Ų | 109 | 146.3 Ų | 146.3 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | | | cis | -148.3 | -177.7 | 36.5 | 43 | -22 | 0 | 0 | 0 | 118.1 | | |
| 145 | E | 33.4 | Very low | 34.8 | Very low | 171 Ų | 171 | 146 Ų | 146 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | | | trans | 53.6 | 109.2 | 155.1 | -73.1 | -174.7 | 152.3 | 0 | 0 | 121.7 | | |
| 146 | E | 38.1 | Very low | 34.9 | Very low | 182 Ų | 182 | 141.7 Ų | 141.7 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | | | | 28.6 | 115.9 | 116.9 | -62.9 | -63.5 | 148.2 | 0 | 0 | 119.3 | | |
| 147 | M | 33.6 | Very low | 35 | Very low | 171 Ų | 171 | 143 Ų | 143 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | | | | 175.2 | 114.8 | 129.1 | 173.9 | 172.1 | 59.2 | 0 | 0 | 112 | | |
| 148 | Y | 33.5 | Very low | 34.8 | Very low | 211 Ų | 211 | 141.2 Ų | 141.2 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | | | trans | -163.1 | 81.9 | 138 | -125.6 | -78 | 0 | 0 | 0 | 112.1 | | |
| 149 | Q | 35.1 | Very low | 34.8 | Very low | 190 Ų | 190 | 142.9 Ų | 142.9 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | | | trans | -114.7 | 120.4 | 165.9 | -170.2 | 66.1 | 66 | 0 | 0 | 108.3 | | |
| 150 | T | 33.5 | Very low | 34.8 | Very low | 93 Ų | 93 | 138 Ų | 138 | 57% | 0.571 | 79% | 0.793 | S | S | * | * | | | trans | -99 | 138.9 | -163 | -52.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 151 | L | 35 | Very low | 34.7 | Very low | 165 Ų | 165 | 138.7 Ų | 138.7 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | | | trans | 70.3 | 96.8 | 163 | -113 | 69.8 | 0 | 0 | 0 | 119.5 | | |
| 152 | A | 36.9 | Very low | 34 | Very low | 107 Ų | 107 | 143.9 Ų | 143.9 | 88% | 0.884 | 81% | 0.805 | S | S | * | * | | | | -169.7 | 158.4 | 119.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 153 | A | 35.1 | Very low | 34.2 | Very low | 91 Ų | 91 | 142.1 Ų | 142.1 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | trans | -141.6 | 151.8 | -172 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 154 | L | 30.6 | Very low | 34.1 | Very low | 164 Ų | 164 | 137.3 Ų | 137.3 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | | | | 172.3 | 148.2 | 122.1 | -91.1 | 161.4 | 0 | 0 | 0 | 114.8 | | |
| 155 | S | 30.4 | Very low | 33.7 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | | | trans | 47.2 | 86.9 | 151.1 | 60.6 | 0 | 0 | 0 | 0 | 122.6 | | |
| 156 | S | 35 | Very low | 34.6 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | | | | 35.6 | 147.5 | 114.5 | 60.4 | 0 | 0 | 0 | 0 | 124.7 | | |
| 157 | Q | 33.7 | Very low | 34.4 | Very low | 194 Ų | 194 | 129.7 Ų | 129.7 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | | | trans | 102.8 | 142.2 | 159.9 | -59.6 | 175.6 | 88.7 | 0 | 0 | 118.4 | | |
| 158 | G | 27.5 | Very low | 34.3 | Very low | 71 Ų | 71 | 124.7 Ų | 124.7 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | | | trans | -140.3 | -154.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 159 | P | 48.6 | Very low | 34.2 | Very low | 129 Ų | 129 | 124.3 Ų | 124.3 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | | | cis | -135.6 | -168.1 | -0.7 | 43.7 | -26.3 | 0 | 0 | 0 | 114.3 | | |
| 160 | A | 29.4 | Very low | 34.4 | Very low | 103 Ų | 103 | 120.7 Ų | 120.7 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | | | trans | 78.6 | 160.4 | 151.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 161 | A | 29.4 | Very low | 34.7 | Very low | 102 Ų | 102 | 123.9 Ų | 123.9 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | | | trans | -70.4 | 161 | -160.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 162 | Y | 31.2 | Very low | 34.8 | Very low | 224 Ų | 224 | 120.8 Ų | 120.8 | 88% | 0.878 | 79% | 0.786 | S | S | * | * | | | trans | -162.8 | 173.2 | 130.8 | -170 | -118.7 | 0 | 0 | 0 | 112 | | |
| 163 | D | 33 | Very low | 34.9 | Very low | 141 Ų | 141 | 120.4 Ų | 120.4 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | | | trans | -93.4 | -178 | 179 | -155.8 | -33.9 | 0 | 0 | 0 | 111.4 | | |
| 164 | G | 29.3 | Very low | 34.9 | Very low | 64 Ų | 64 | 121 Ų | 121 | 66% | 0.66 | 79% | 0.788 | S | S | * | * | | | trans | 129.5 | 112 | 157.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 165 | A | 34.5 | Very low | 35.1 | Very low | 97 Ų | 97 | 118 Ų | 118 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | | | trans | -91.3 | -171.3 | 148.4 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 166 | P | 53.9 | Low | 35.2 | Very low | 126 Ų | 126 | 117.9 Ų | 117.9 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | cis | -142.9 | 179.6 | -0.6 | 43.7 | -25.9 | 0 | 0 | 0 | 116.9 | | |
| 167 | G | 32.8 | Very low | 35.2 | Very low | 79 Ų | 79 | 117.5 Ų | 117.5 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | | | trans | 95.8 | 149.7 | 132.4 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 168 | G | 31.6 | Very low | 35.1 | Very low | 66 Ų | 66 | 113.2 Ų | 113.2 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | | | trans | 93.6 | 125.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 169 | F | 32.8 | Very low | 35.3 | Very low | 204 Ų | 204 | 114.8 Ų | 114.8 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | | | | 69.8 | 127.4 | 51.7 | -73.2 | -128.9 | 0 | 0 | 0 | 112.6 | | |
| 170 | V | 39.1 | Very low | 34.4 | Very low | 114 Ų | 114 | 113.8 Ų | 113.8 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | | | cis | -160.3 | -178.2 | -6.6 | -90 | 0 | 0 | 0 | 0 | 107.4 | | |
| 171 | H | 39.7 | Very low | 34.6 | Very low | 160 Ų | 160 | 113.7 Ų | 113.7 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | | | cis | -157.7 | 173 | 12.4 | -134.4 | -58.6 | 0 | 0 | 0 | 112.4 | | |
| 172 | S | 36.9 | Very low | 34.7 | Very low | 99 Ų | 99 | 113.3 Ų | 113.3 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | | | trans | -21.2 | 157.7 | 153.7 | -56.3 | 0 | 0 | 0 | 0 | 120.8 | | |
| 173 | A | 39.2 | Very low | 34.9 | Very low | 99 Ų | 99 | 107.2 Ų | 107.2 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | cis | -172.1 | 157.9 | -12.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 174 | A | 33.5 | Very low | 35 | Very low | 105 Ų | 105 | 105.7 Ų | 105.7 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | | | trans | -156.7 | 156.5 | 153.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 175 | A | 35.1 | Very low | 35.3 | Very low | 101 Ų | 101 | 108.4 Ų | 108.4 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | | | trans | -85.8 | 167.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 176 | A | 33.2 | Very low | 36.1 | Very low | 94 Ų | 94 | 109 Ų | 109 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | | | cis | -157.9 | 167.1 | 26.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 177 | A | 34.3 | Very low | 35.1 | Very low | 95 Ų | 95 | 109.3 Ų | 109.3 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | 42.2 | 99.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 178 | A | 31.9 | Very low | 35.1 | Very low | 104 Ų | 104 | 116 Ų | 116 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | | | cis | 62.6 | 130.9 | 48.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 179 | A | 31.8 | Very low | 35.3 | Very low | 105 Ų | 105 | 117.5 Ų | 117.5 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | | | cis | -141.8 | 163.5 | 7.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 180 | A | 29.9 | Very low | 35.7 | Very low | 108 Ų | 108 | 114 Ų | 114 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | | | trans | -121.8 | 179.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 181 | A | 33 | Very low | 35.5 | Very low | 100 Ų | 100 | 114.2 Ų | 114.2 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | | | trans | -77.1 | 169.6 | -165.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 182 | A | 33.2 | Very low | 35.7 | Very low | 94 Ų | 94 | 112.8 Ų | 112.8 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | | | trans | 123.7 | 144.3 | 131.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 183 | A | 34.4 | Very low | 35.9 | Very low | 97 Ų | 97 | 119.7 Ų | 119.7 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | | | trans | 65.1 | 149 | 159.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 184 | S | 36 | Very low | 35.8 | Very low | 108 Ų | 108 | 121.4 Ų | 121.4 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | | | cis | -170.6 | 128.8 | -17.6 | 50.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 185 | S | 34.1 | Very low | 35.8 | Very low | 122 Ų | 122 | 120.2 Ų | 120.2 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | | | trans | 59.7 | 174.8 | 163.3 | -116.7 | 0 | 0 | 0 | 0 | 118.1 | | |
| 186 | P | 50.8 | Low | 35.9 | Very low | 108 Ų | 108 | 120.3 Ų | 120.3 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | | | cis | -126.1 | 175.7 | -24.8 | 33.5 | -14.9 | 0 | 0 | 0 | 114.2 | | |
| 187 | V | 34.5 | Very low | 36 | Very low | 134 Ų | 134 | 124.8 Ų | 124.8 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | | | trans | 33.3 | 126.5 | 154.1 | 179.9 | 0 | 0 | 0 | 0 | 121.1 | | |
| 188 | Y | 32.2 | Very low | 36.3 | Very low | 218 Ų | 218 | 128 Ų | 128 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | | | trans | -147.9 | 157.6 | 152 | -155.9 | -103.8 | 0 | 0 | 0 | 114 | | |
| 189 | V | 36.3 | Very low | 37.1 | Very low | 99 Ų | 99 | 129.3 Ų | 129.3 | 60% | 0.6 | 81% | 0.81 | S | S | * | * | | | trans | -113.9 | 134.9 | -175.6 | 177.9 | 0 | 0 | 0 | 0 | 110.8 | T191 | V189-T191 PolarHBondContact O-N 3.18Š|
| 190 | P | 40 | Very low | 37.2 | Very low | 130 Ų | 130 | 127.8 Ų | 127.8 | 84% | 0.844 | 81% | 0.805 | S | S | * | * | | | trans | -81 | 105.1 | 179.2 | 31.4 | -33.4 | 0 | 0 | 0 | 112.6 | | |
| 191 | T | 35.1 | Very low | 37.6 | Very low | 119 Ų | 119 | 130.8 Ų | 130.8 | 73% | 0.73 | 81% | 0.805 | S | S | * | * | | | trans | -101.3 | 155 | 166.9 | -82 | 0 | 0 | 0 | 0 | 111.4 | V189 | V189-T191 PolarHBondContact O-N 3.18Š|
| 192 | T | 43.5 | Very low | 38.5 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | | | trans | -42.4 | 150.7 | -177 | 55.3 | 0 | 0 | 0 | 0 | 116.8 | | |
| 193 | R | 41.3 | Very low | 38.5 | Very low | 244 Ų | 244 | 135.8 Ų | 135.8 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | | | trans | -144.9 | 135.7 | 149.1 | 41.2 | -172.7 | 166.7 | -145.6 | -1.3 | 112 | | |
| 194 | V | 36.9 | Very low | 38.5 | Very low | 136 Ų | 136 | 138.9 Ų | 138.9 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | | | trans | -102.9 | 152.6 | 177.9 | 179.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 195 | G | 33.9 | Very low | 38.5 | Very low | 79 Ų | 79 | 139.7 Ų | 139.7 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | | | trans | -157 | 100.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 196 | S | 36.9 | Very low | 38.5 | Very low | 103 Ų | 103 | 142 Ų | 142 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | | | trans | -98.2 | 150 | 176.8 | -50.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 197 | M | 36.4 | Very low | 37.5 | Very low | 189 Ų | 189 | 139.4 Ų | 139.4 | 93% | 0.931 | 78% | 0.782 | S | S | * | * | | | trans | -154.6 | 142.1 | 143.8 | -89.8 | -51.9 | 168.8 | 0 | 0 | 110.5 | | |
| 198 | L | 40.1 | Very low | 37.6 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | | | trans | -110.7 | 163.8 | 167.8 | -75.6 | 163.8 | 0 | 0 | 0 | 108.2 | | |
| 199 | P | 49.5 | Very low | 37.5 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | | | | -150.2 | 160.6 | 92.4 | 37.5 | -19.9 | 0 | 0 | 0 | 116 | | |
| 200 | G | 33.6 | Very low | 37.3 | Very low | 73 Ų | 73 | 133.8 Ų | 133.8 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | | | trans | 160.3 | 97.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 201 | L | 38.3 | Very low | 36.9 | Very low | 172 Ų | 172 | 130.8 Ų | 130.8 | 90% | 0.901 | 79% | 0.787 | S | S | * | * | | | trans | -141 | 151 | 169.7 | -81.2 | -179.4 | 0 | 0 | 0 | 107.6 | | |
| 202 | P | 52.5 | Low | 37.9 | Very low | 117 Ų | 117 | 131.4 Ų | 131.4 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | | | | -147.4 | -162.8 | 69.6 | 46.9 | -27.6 | 0 | 0 | 0 | 112.5 | | |
| 203 | Y | 33.1 | Very low | 37.4 | Very low | 182 Ų | 182 | 129.8 Ų | 129.8 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | | | cis | -156.5 | -166.7 | 0.1 | -156.5 | -135 | 0 | 0 | 0 | 111.2 | | |
| 204 | H | 33.4 | Very low | 37.1 | Very low | 162 Ų | 162 | 124.3 Ų | 124.3 | 75% | 0.75 | 78% | 0.782 | S | S | * | * | | | trans | 76.2 | 157.7 | 163.7 | -76.9 | -70.7 | 0 | 0 | 0 | 120 | | |
| 205 | L | 35.8 | Very low | 37 | Very low | 124 Ų | 124 | 125.7 Ų | 125.7 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | | | | -165.9 | 155.6 | -96.6 | -166.5 | 80.2 | 0 | 0 | 0 | 110.3 | | |
| 206 | Q | 33.4 | Very low | 36.9 | Very low | 170 Ų | 170 | 126.7 Ų | 126.7 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | | | trans | 66.9 | 151.4 | 168.4 | -119.8 | 72.8 | -30.3 | 0 | 0 | 116.9 | | |
| 207 | G | 30.7 | Very low | 36.7 | Very low | 55 Ų | 55 | 125.5 Ų | 125.5 | 57% | 0.567 | 78% | 0.784 | S | S | * | * | | | cis | 142.5 | 119.4 | -17.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 208 | S | 35.8 | Very low | 36.4 | Very low | 137 Ų | 137 | 120.8 Ų | 120.8 | 96% | 0.958 | 78% | 0.784 | S | S | * | * | | | trans | 62.7 | 161.9 | 173.9 | 69.5 | 0 | 0 | 0 | 0 | 117.2 | | |
| 209 | G | 30.7 | Very low | 36.1 | Very low | 62 Ų | 62 | 118.4 Ų | 118.4 | 64% | 0.639 | 79% | 0.787 | S | S | * | * | | | cis | 165.4 | 161.6 | -9.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 210 | S | 32.6 | Very low | 35.3 | Very low | 134 Ų | 134 | 115.9 Ų | 115.9 | 94% | 0.937 | 79% | 0.785 | S | S | * | * | | | trans | 72.2 | 152.6 | 171 | 72.6 | 0 | 0 | 0 | 0 | 120.6 | | |
| 211 | G | 30.6 | Very low | 35.3 | Very low | 66 Ų | 66 | 116 Ų | 116 | 68% | 0.68 | 78% | 0.779 | S | S | * | * | | | trans | -116.6 | -140.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 212 | P | 57 | Low | 35.5 | Very low | 133 Ų | 133 | 116 Ų | 116 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | | | cis | -134.3 | -149.4 | 4.1 | 43.9 | -25 | 0 | 0 | 0 | 113.1 | | |
| 213 | A | 33.7 | Very low | 35 | Very low | 94 Ų | 94 | 117 Ų | 117 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | | | trans | 103 | 146.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 214 | N | 34.3 | Very low | 35.1 | Very low | 129 Ų | 129 | 111.3 Ų | 111.3 | 69% | 0.69 | 78% | 0.778 | S | S | * | * | | | cis | -165.5 | 139.4 | -36 | -144.4 | 7.1 | 0 | 0 | 0 | 111.5 | | |
| 215 | H | 35.1 | Very low | 35.1 | Very low | 166 Ų | 166 | 115.6 Ų | 115.6 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | trans | 58.3 | 155.1 | 165.8 | -60.9 | -56.8 | 0 | 0 | 0 | 118.9 | | |
| 216 | A | 32.4 | Very low | 36 | Very low | 99 Ų | 99 | 116.1 Ų | 116.1 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | cis | -162 | 161.9 | -20.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 217 | G | 32.3 | Very low | 36.1 | Very low | 78 Ų | 78 | 116.3 Ų | 116.3 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | 153.8 | 112.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 218 | G | 30.1 | Very low | 36.2 | Very low | 91 Ų | 91 | 117.6 Ų | 117.6 | 94% | 0.938 | 80% | 0.804 | S | S | * | * | | | trans | 66.7 | 118.7 | 152.2 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 219 | A | 34.3 | Very low | 36 | Very low | 110 Ų | 110 | 116.2 Ų | 116.2 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | | | trans | -125.5 | 148.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 220 | G | 32.1 | Very low | 36.3 | Very low | 79 Ų | 79 | 117.7 Ų | 117.7 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | | | trans | 102.4 | 146.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 221 | A | 34 | Very low | 36.2 | Very low | 75 Ų | 75 | 118.6 Ų | 118.6 | 62% | 0.62 | 80% | 0.795 | S | S | * | * | | | cis | -159.6 | 155.5 | -13.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 222 | H | 41.8 | Very low | 36.5 | Very low | 173 Ų | 173 | 120.5 Ų | 120.5 | 80% | 0.801 | 80% | 0.798 | S | S | * | * | | | trans | 42.2 | 140 | 162.7 | 61.2 | -109.4 | 0 | 0 | 0 | 121.4 | | |
| 223 | P | 42.4 | Very low | 36 | Very low | 137 Ų | 137 | 119.5 Ų | 119.5 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | | | trans | -124.2 | 118.3 | 145.4 | 33.9 | -23.2 | 0 | 0 | 0 | 111.7 | | |
| 224 | G | 34 | Very low | 36.8 | Very low | 64 Ų | 64 | 121.3 Ų | 121.3 | 66% | 0.66 | 80% | 0.795 | S | S | * | * | | | trans | -110.3 | 132.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 225 | W | 34.6 | Very low | 37.1 | Very low | 252 Ų | 252 | 126.8 Ų | 126.8 | 96% | 0.955 | 81% | 0.808 | S | S | * | * | | | trans | 55.2 | 121.5 | 169.4 | -61.3 | -7.2 | 0 | 0 | 0 | 118.8 | | |
| 226 | P | 53.3 | Low | 37 | Very low | 134 Ų | 134 | 122.2 Ų | 122.2 | 87% | 0.87 | 81% | 0.805 | S | S | * | * | | | trans | -85.5 | 130.8 | 157.6 | 33.2 | -29.5 | 0 | 0 | 0 | 111.3 | | |
| 227 | Q | 37 | Very low | 36.9 | Very low | 175 Ų | 175 | 121.4 Ų | 121.4 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | trans | -135.7 | 132.1 | 165.1 | -119.5 | -72.3 | -87.6 | 0 | 0 | 108.9 | | |
| 228 | A | 33.3 | Very low | 36.8 | Very low | 82 Ų | 82 | 121.8 Ų | 121.8 | 68% | 0.678 | 81% | 0.811 | S | S | * | * | | | trans | -147.7 | 134.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 229 | S | 31.1 | Very low | 36.9 | Very low | 108 Ų | 108 | 121.3 Ų | 121.3 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | | | cis | 97.3 | 101.8 | 34 | -66.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 230 | A | 36.2 | Very low | 36.8 | Very low | 93 Ų | 93 | 120.1 Ų | 120.1 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | | | trans | 69.8 | 159.5 | 142 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 231 | D | 30 | Very low | 37 | Very low | 153 Ų | 153 | 121.5 Ų | 121.5 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | cis | -143.1 | -177 | 5.6 | -141.3 | -46.3 | 0 | 0 | 0 | 112.5 | | |
| 232 | S | 37.5 | Very low | 37 | Very low | 106 Ų | 106 | 123.1 Ų | 123.1 | 74% | 0.741 | 82% | 0.821 | S | S | * | * | | | trans | -123.2 | -146.1 | -175.5 | -52.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 233 | P | 47.3 | Very low | 36.6 | Very low | 111 Ų | 111 | 118.8 Ų | 118.8 | 72% | 0.721 | 82% | 0.824 | S | S | * | * | | | trans | -107.9 | 165.4 | -143.5 | 23.8 | -0.5 | 0 | 0 | 0 | 115.5 | | |
| 234 | P | 49.7 | Very low | 36.3 | Very low | 132 Ų | 132 | 118.3 Ų | 118.3 | 86% | 0.857 | 82% | 0.824 | S | S | * | * | | | trans | -73 | 159 | 176.1 | 31.5 | -36.1 | 0 | 0 | 0 | 113.2 | | |
| 235 | Y | 40 | Very low | 36.2 | Very low | 244 Ų | 244 | 119.1 Ų | 119.1 | 96% | 0.957 | 83% | 0.832 | S | S | * | * | | | trans | -132.9 | 155 | -172.2 | -152.2 | -86.7 | 0 | 0 | 0 | 112.3 | | |
| 236 | G | 32.8 | Very low | 36.5 | Very low | 70 Ų | 70 | 112.1 Ų | 112.1 | 72% | 0.722 | 83% | 0.828 | S | S | * | * | | | trans | 108.1 | 146.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 237 | G | 31.6 | Very low | 35.6 | Very low | 82 Ų | 82 | 110.7 Ų | 110.7 | 85% | 0.845 | 83% | 0.827 | S | S | * | * | | | cis | 169.8 | 161.5 | -4.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 238 | G | 29.8 | Very low | 35.4 | Very low | 87 Ų | 87 | 105.6 Ų | 105.6 | 90% | 0.897 | 82% | 0.822 | S | S | * | * | | | trans | 108.3 | 153.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 239 | G | 32.4 | Very low | 36.2 | Very low | 81 Ų | 81 | 108 Ų | 108 | 84% | 0.835 | 83% | 0.831 | S | S | * | * | | | trans | -161.6 | 169.6 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 240 | G | 31.9 | Very low | 36.1 | Very low | 85 Ų | 85 | 106.8 Ų | 106.8 | 88% | 0.876 | 84% | 0.836 | S | S | * | * | | | trans | 78.8 | 101.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 241 | A | 35.5 | Very low | 35.9 | Very low | 108 Ų | 108 | 106 Ų | 106 | 89% | 0.893 | 84% | 0.837 | S | S | * | * | | | trans | -156.6 | 156.4 | 143.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 242 | A | 34.3 | Very low | 36 | Very low | 108 Ų | 108 | 103.9 Ų | 103.9 | 89% | 0.893 | 84% | 0.84 | S | S | * | * | | | trans | -53.5 | 156.2 | -169.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 243 | G | 32.7 | Very low | 35.7 | Very low | 83 Ų | 83 | 102.3 Ų | 102.3 | 86% | 0.856 | 84% | 0.84 | S | S | * | * | | | trans | -170.4 | 70.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 244 | S | 36.5 | Very low | 35.1 | Very low | 126 Ų | 126 | 102.7 Ų | 102.7 | 88% | 0.881 | 85% | 0.846 | S | S | * | * | | | trans | -83 | 137.6 | -175.9 | 54.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 245 | G | 31.7 | Very low | 34.2 | Very low | 81 Ų | 81 | 101.4 Ų | 101.4 | 84% | 0.835 | 85% | 0.846 | S | S | * | * | | | trans | -175.1 | 119.2 | 167 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 246 | A | 42.3 | Very low | 33.9 | Very low | 105 Ų | 105 | 94.4 Ų | 94.4 | 87% | 0.868 | 84% | 0.839 | S | S | * | * | | | trans | -138 | 109.4 | 176 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 247 | A | 34.9 | Very low | 33.9 | Very low | 104 Ų | 104 | 96 Ų | 96 | 86% | 0.86 | 85% | 0.846 | S | S | * | * | | | trans | -163.6 | 149.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 248 | G | 31.3 | Very low | 34 | Very low | 69 Ų | 69 | 100.5 Ų | 100.5 | 71% | 0.711 | 84% | 0.844 | S | S | * | * | | | trans | -107.3 | -162.4 | 151.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 249 | P | 49.8 | Very low | 34.1 | Very low | 132 Ų | 132 | 102.9 Ų | 102.9 | 86% | 0.857 | 84% | 0.841 | S | S | * | * | | | cis | -133.7 | 164.9 | -1.2 | 40.6 | -25.5 | 0 | 0 | 0 | 115.5 | | |
| 250 | G | 30.5 | Very low | 34.3 | Very low | 83 Ų | 83 | 104.3 Ų | 104.3 | 86% | 0.856 | 84% | 0.838 | S | S | * | * | | | trans | 83.2 | 162.5 | 149.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 251 | G | 30.4 | Very low | 34.4 | Very low | 77 Ų | 77 | 105.2 Ų | 105.2 | 79% | 0.794 | 84% | 0.837 | S | S | * | * | | | trans | 109.7 | 79.5 | 152.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 252 | A | 33.8 | Very low | 34.4 | Very low | 108 Ų | 108 | 111.2 Ų | 111.2 | 89% | 0.893 | 84% | 0.837 | S | S | * | * | | | trans | 60.2 | 125.8 | 143.8 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 253 | G | 31.2 | Very low | 34.5 | Very low | 72 Ų | 72 | 116 Ų | 116 | 74% | 0.742 | 84% | 0.838 | S | S | * | * | | | trans | 89.3 | 143.5 | 156.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 254 | S | 33.3 | Very low | 34.8 | Very low | 120 Ų | 120 | 117.8 Ų | 117.8 | 84% | 0.839 | 83% | 0.834 | S | S | * | * | | | cis | -157.3 | 153.5 | -9.9 | -84.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 255 | A | 30.9 | Very low | 34.7 | Very low | 104 Ų | 104 | 122.4 Ų | 122.4 | 86% | 0.86 | 83% | 0.834 | S | S | * | * | | | trans | 53.1 | 98.1 | 159.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 256 | A | 34.4 | Very low | 34.9 | Very low | 98 Ų | 98 | 123.7 Ų | 123.7 | 81% | 0.81 | 83% | 0.83 | S | S | * | * | | | trans | -157.2 | 122 | 139.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 257 | A | 32 | Very low | 35.1 | Very low | 104 Ų | 104 | 124.5 Ų | 124.5 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | | | trans | -88.7 | 131.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 258 | H | 35.2 | Very low | 35.2 | Very low | 176 Ų | 176 | 125 Ų | 125 | 82% | 0.815 | 82% | 0.824 | S | S | * | * | | | trans | -137.9 | 107.7 | 159 | 55.2 | -88.8 | 0 | 0 | 0 | 109.8 | | |
| 259 | V | 31.5 | Very low | 36 | Very low | 136 Ų | 136 | 127.5 Ų | 127.5 | 82% | 0.824 | 83% | 0.827 | S | S | * | * | | | trans | -81.7 | 146.1 | 177.4 | 172.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 260 | S | 37.1 | Very low | 35.8 | Very low | 111 Ų | 111 | 127 Ų | 127 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | | | trans | -140.4 | 163.3 | 166.1 | -86.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 261 | A | 33.5 | Very low | 36 | Very low | 104 Ų | 104 | 132.2 Ų | 132.2 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | S | Bend | trans | 81.9 | 162.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 262 | R | 34.8 | Very low | 36.1 | Very low | 234 Ų | 234 | 132.6 Ų | 132.6 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | | | trans | -59.9 | 155.3 | -170.1 | -58.3 | 164.2 | 173.5 | 179.7 | -4.2 | 113.6 | P264 | R262-P264 VanDerWaalsContact O-CD 3.24Å; R262-P264 WeakPolarHBondContact O-CD 3.24Å |
| 263 | F | 36 | Very low | 36 | Very low | 210 Ų | 210 | 135.5 Ų | 135.5 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | | | trans | -52.3 | 122.2 | 163.2 | -73.2 | -86.1 | 0 | 0 | 0 | 112.6 | | |
| 264 | P | 39.8 | Very low | 36.1 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 78% | 0.779 | 83% | 0.827 | S | S | * | * | | | trans | -91.5 | -179 | 156.2 | 8.9 | 13.3 | 0 | 0 | 0 | 110.3 | R262 | R262-P264 VanDerWaalsContact O-CD 3.24Å; R262-P264 WeakPolarHBondContact O-CD 3.24Å |
| 265 | Y | 34.5 | Very low | 36 | Very low | 223 Ų | 223 | 134.9 Ų | 134.9 | 88% | 0.875 | 83% | 0.828 | S | S | * | * | | | trans | -119 | 152.7 | 178.7 | -124.4 | -86.4 | 0 | 0 | 0 | 111.4 | | |
| 266 | S | 34.8 | Very low | 36 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | | | trans | 68.4 | 162.8 | 167.2 | -67 | 0 | 0 | 0 | 0 | 116.6 | | |
| 267 | P | 46.5 | Very low | 36.1 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 79% | 0.792 | 83% | 0.829 | S | S | * | * | | | cis | -124.2 | 178.1 | 9.4 | 42.6 | -28.7 | 0 | 0 | 0 | 116.3 | | |
| 268 | S | 38 | Very low | 36.2 | Very low | 115 Ų | 115 | 145.2 Ų | 145.2 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | | | trans | -97.9 | 147.3 | 172.4 | -49.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 269 | P | 47.4 | Very low | 36.5 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 78% | 0.779 | 83% | 0.825 | S | S | * | * | | | trans | -91.1 | 167.3 | 161.3 | 35.3 | -30.8 | 0 | 0 | 0 | 112.4 | | |
| 270 | P | 47.3 | Very low | 36.5 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 79% | 0.786 | 83% | 0.826 | S | S | * | * | | | trans | -111.8 | 166.7 | -156.2 | 40.8 | -34.9 | 0 | 0 | 0 | 116.1 | | |
| 271 | M | 33.5 | Very low | 36.3 | Very low | 194 Ų | 194 | 137.6 Ų | 137.6 | 96% | 0.956 | 82% | 0.822 | S | S | * | * | | | trans | -138.7 | 133.9 | 148.5 | -89.1 | -174.5 | 173.3 | 0 | 0 | 110.9 | | |
| 272 | A | 33.2 | Very low | 36.4 | Very low | 85 Ų | 85 | 143.4 Ų | 143.4 | 70% | 0.702 | 82% | 0.823 | S | S | * | * | | | trans | -96 | 170.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 273 | N | 32.1 | Very low | 36.4 | Very low | 168 Ų | 168 | 136.6 Ų | 136.6 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | | | cis | -137.9 | 156.6 | 18.5 | -86.2 | -64.1 | 0 | 0 | 0 | 112 | | |
| 274 | G | 31.6 | Very low | 36.3 | Very low | 77 Ų | 77 | 131.4 Ų | 131.4 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | | | trans | -152.3 | 115.1 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 275 | A | 32.3 | Very low | 35.9 | Very low | 103 Ų | 103 | 130.9 Ų | 130.9 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | | | trans | -88.4 | 129.7 | -159.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 276 | A | 31.3 | Very low | 35.6 | Very low | 92 Ų | 92 | 123.2 Ų | 123.2 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | | | trans | 24 | 125.8 | 148.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 277 | R | 36 | Very low | 35.6 | Very low | 250 Ų | 250 | 124.7 Ų | 124.7 | 94% | 0.943 | 82% | 0.818 | S | S | * | * | | | | -151 | 149.4 | 118.6 | -111.8 | 165.6 | -177.9 | 164 | 1.2 | 111.9 | | |
| 278 | E | 32.9 | Very low | 34.9 | Very low | 180 Ų | 180 | 122.7 Ų | 122.7 | 84% | 0.841 | 82% | 0.819 | S | S | * | * | | | trans | -90 | 175 | -166.7 | -89 | -73.9 | 95.3 | 0 | 0 | 113.5 | | |
| 279 | P | 43 | Very low | 34.7 | Very low | 115 Ų | 115 | 121 Ų | 121 | 75% | 0.747 | 82% | 0.82 | S | S | * | * | | | trans | -117.1 | -179.2 | -140.9 | 44.7 | -40 | 0 | 0 | 0 | 116.6 | | |
| 280 | G | 31.4 | Very low | 34.2 | Very low | 81 Ų | 81 | 120.4 Ų | 120.4 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | | | trans | 159.9 | 145.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 281 | G | 31.6 | Very low | 33.7 | Very low | 67 Ų | 67 | 118.8 Ų | 118.8 | 69% | 0.691 | 83% | 0.831 | S | S | * | * | | | cis | -168.5 | 175.5 | -2.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 282 | Y | 35.3 | Very low | 33.8 | Very low | 226 Ų | 226 | 112.8 Ų | 112.8 | 89% | 0.886 | 82% | 0.818 | S | S | * | * | | | trans | -37.9 | 157.3 | 176.4 | 55.7 | -86.4 | 0 | 0 | 0 | 117.4 | | |
| 283 | A | 34.8 | Very low | 34.1 | Very low | 91 Ų | 91 | 115.5 Ų | 115.5 | 75% | 0.752 | 83% | 0.826 | S | S | * | * | | | trans | -92.9 | 173.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 284 | A | 35.1 | Very low | 34.4 | Very low | 102 Ų | 102 | 112.9 Ų | 112.9 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | | | trans | 82.6 | 87.2 | 161.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 285 | A | 32 | Very low | 34.5 | Very low | 109 Ų | 109 | 113.2 Ų | 113.2 | 90% | 0.901 | 82% | 0.824 | S | S | * | * | | | trans | -164.2 | 152.4 | 136.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 286 | G | 28.3 | Very low | 34.5 | Very low | 62 Ų | 62 | 112.4 Ų | 112.4 | 64% | 0.639 | 83% | 0.826 | S | S | * | * | | | cis | 164 | 150.9 | -8 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 287 | S | 33.3 | Very low | 34.6 | Very low | 139 Ų | 139 | 111.9 Ų | 111.9 | 97% | 0.972 | 83% | 0.83 | S | S | * | * | | | trans | 68.5 | 152.7 | 171.5 | 79.1 | 0 | 0 | 0 | 0 | 119.8 | | |
| 288 | G | 32.5 | Very low | 34.7 | Very low | 79 Ų | 79 | 105.5 Ų | 105.5 | 81% | 0.814 | 82% | 0.823 | S | S | * | * | | | trans | 126.9 | 95.5 | 155.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 289 | G | 33.7 | Very low | 35 | Very low | 80 Ų | 80 | 102.3 Ų | 102.3 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | | | trans | 77.8 | 121.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 290 | A | 37.1 | Very low | 34.6 | Very low | 107 Ų | 107 | 105.2 Ų | 105.2 | 88% | 0.884 | 83% | 0.829 | S | S | * | * | | | cis | 110.3 | 112.2 | 15.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 291 | G | 36.4 | Very low | 34.7 | Very low | 88 Ų | 88 | 105.7 Ų | 105.7 | 91% | 0.907 | 83% | 0.825 | S | S | * | * | | | trans | 81.2 | 134.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 292 | G | 35.9 | Very low | 35 | Very low | 68 Ų | 68 | 107.4 Ų | 107.4 | 70% | 0.701 | 83% | 0.833 | S | S | * | * | | | cis | 150 | 142.8 | -9.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 293 | V | 39.3 | Very low | 35 | Very low | 142 Ų | 142 | 105.9 Ų | 105.9 | 86% | 0.861 | 84% | 0.836 | S | S | * | * | | | trans | 49.1 | 137.5 | 155.8 | 67.3 | 0 | 0 | 0 | 0 | 120.1 | | |
| 294 | S | 37.8 | Very low | 34.9 | Very low | 113 Ų | 113 | 105.3 Ų | 105.3 | 79% | 0.79 | 84% | 0.839 | S | S | * | * | | | cis | -170.9 | 145.9 | -29.8 | -90.7 | 0 | 0 | 0 | 0 | 108 | | |
| 295 | G | 34.3 | Very low | 34.6 | Very low | 84 Ų | 84 | 103.6 Ų | 103.6 | 87% | 0.866 | 83% | 0.831 | S | S | * | * | | | trans | 75.1 | 162 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 296 | G | 33 | Very low | 34.7 | Very low | 86 Ų | 86 | 110.4 Ų | 110.4 | 89% | 0.887 | 83% | 0.833 | S | S | * | * | | | cis | 126.1 | 112.4 | -0.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 297 | G | 33.7 | Very low | 34.8 | Very low | 81 Ų | 81 | 116 Ų | 116 | 84% | 0.835 | 84% | 0.843 | S | S | * | * | | | trans | 168.3 | 125.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 298 | S | 38 | Very low | 35.3 | Very low | 116 Ų | 116 | 114 Ų | 114 | 81% | 0.811 | 83% | 0.827 | S | S | * | * | | | trans | -86.7 | 154.3 | -179 | -58.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 299 | S | 39.4 | Very low | 35.3 | Very low | 112 Ų | 112 | 118.6 Ų | 118.6 | 78% | 0.783 | 83% | 0.827 | S | S | * | * | | | trans | 28.6 | 129.9 | 143.7 | -50.2 | 0 | 0 | 0 | 0 | 120.2 | | |
| 300 | L | 34.7 | Very low | 34.9 | Very low | 177 Ų | 177 | 124.9 Ų | 124.9 | 93% | 0.927 | 83% | 0.827 | S | S | * | * | | | | -171.8 | 170 | 112.4 | -100.6 | 163 | 0 | 0 | 0 | 114.4 | | |
| 301 | A | 33 | Very low | 34.6 | Very low | 90 Ų | 90 | 123.8 Ų | 123.8 | 74% | 0.744 | 81% | 0.814 | S | S | * | * | | | trans | -49.2 | 155.6 | -168.5 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 302 | A | 38 | Very low | 34.3 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | | | trans | -142.1 | 147 | 140.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 303 | M | 34.8 | Very low | 34.2 | Very low | 194 Ų | 194 | 129.8 Ų | 129.8 | 96% | 0.956 | 82% | 0.816 | S | S | * | * | | | trans | -120.9 | 151.1 | -178 | -94.3 | -92.9 | -78.6 | 0 | 0 | 111 | | |
| 304 | G | 32.6 | Very low | 33.9 | Very low | 78 Ų | 78 | 128.1 Ų | 128.1 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | trans | 114.5 | 145.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 305 | G | 29.6 | Very low | 33.8 | Very low | 67 Ų | 67 | 127.4 Ų | 127.4 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | | | cis | 142.8 | 132.1 | -6.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 306 | R | 34.4 | Very low | 33.8 | Very low | 251 Ų | 251 | 127.9 Ų | 127.9 | 95% | 0.947 | 81% | 0.808 | S | S | * | * | | | trans | 75.4 | 118.5 | 173.1 | 93.9 | -153.2 | 164.4 | 166.5 | -2.7 | 118.9 | | |
| 307 | E | 29.1 | Very low | 33.9 | Very low | 179 Ų | 179 | 134 Ų | 134 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | | | trans | -66.6 | 173.5 | 146.7 | -136.2 | 159.2 | 83.2 | 0 | 0 | 108.5 | | |
| 308 | P | 44.9 | Very low | 34.8 | Very low | 98 Ų | 98 | 135.2 Ų | 135.2 | 64% | 0.636 | 80% | 0.797 | S | S | * | * | | | cis | -149 | -169 | 17.8 | 45.4 | -24.4 | 0 | 0 | 0 | 119.2 | | |
| 309 | Q | 30.8 | Very low | 34.8 | Very low | 176 Ų | 176 | 135.9 Ų | 135.9 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | | | trans | 90 | 136.8 | 151.2 | -76.9 | 173 | -17.1 | 0 | 0 | 122.4 | | |
| 310 | Y | 26.6 | Very low | 34.4 | Very low | 211 Ų | 211 | 137.9 Ų | 137.9 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | | | trans | 87.3 | 90.2 | 147.9 | -115 | -95.6 | 0 | 0 | 0 | 123.6 | | |
| 311 | S | 29.8 | Very low | 34.3 | Very low | 85 Ų | 85 | 132.5 Ų | 132.5 | 59% | 0.594 | 78% | 0.78 | S | S | * | * | | | | 39.8 | 117.2 | 123 | -50.1 | 0 | 0 | 0 | 0 | 123.9 | | |
| 312 | S | 30.9 | Very low | 34.3 | Very low | 108 Ų | 108 | 134.2 Ų | 134.2 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | | | | 81.4 | 123.8 | 123.1 | -58.1 | 0 | 0 | 0 | 0 | 123.2 | | |
| 313 | L | 34.3 | Very low | 33.9 | Very low | 174 Ų | 174 | 139.4 Ų | 139.4 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | | | trans | -138.6 | 161.8 | 153.1 | -75.2 | 171.5 | 0 | 0 | 0 | 109.5 | | |
| 314 | S | 32.3 | Very low | 33.9 | Very low | 106 Ų | 106 | 138 Ų | 138 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | | | | 177.1 | 106.6 | -62.7 | -91.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 315 | A | 35.3 | Very low | 33.8 | Very low | 98 Ų | 98 | 141.7 Ų | 141.7 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | | | trans | -161.7 | 96 | 165 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 316 | A | 35.7 | Very low | 34 | Very low | 95 Ų | 95 | 145.5 Ų | 145.5 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | | | | 70.6 | 95.9 | 85.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 317 | R | 34.7 | Very low | 33.9 | Very low | 213 Ų | 213 | 140.8 Ų | 140.8 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | | | | 88.4 | 151.1 | 75.6 | -92.1 | -168.6 | 162.7 | -156.3 | -5.3 | 112.9 | | |
| 318 | P | 51.9 | Low | 34.2 | Very low | 108 Ų | 108 | 139.9 Ų | 139.9 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | | | cis | -121.3 | 156.4 | 29 | 30.4 | -9.1 | 0 | 0 | 0 | 116.2 | | |
| 319 | L | 37.9 | Very low | 33.5 | Very low | 130 Ų | 130 | 143 Ų | 143 | 68% | 0.681 | 76% | 0.756 | S | S | * | * | | | | 58.6 | 137.3 | 105.5 | -49.3 | 170 | 0 | 0 | 0 | 115.3 | | |
| 320 | N | 31.9 | Very low | 33.9 | Very low | 154 Ų | 154 | 141.8 Ų | 141.8 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | | | cis | -155.9 | 139.9 | 15.8 | -175.6 | 29.5 | 0 | 0 | 0 | 113.8 | | |
| 321 | G | 31.2 | Very low | 34.2 | Very low | 63 Ų | 63 | 140 Ų | 140 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | | | trans | 66.7 | 168.4 | 159.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 322 | T | 33.8 | Very low | 34.5 | Very low | 126 Ų | 126 | 144 Ų | 144 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | | | cis | -162.4 | 114.3 | -21.9 | -79.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 323 | Y | 30.1 | Very low | 34.8 | Very low | 214 Ų | 214 | 146.8 Ų | 146.8 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | | | trans | 58.7 | 155.3 | 158.4 | -87.4 | -97.1 | 0 | 0 | 0 | 123.8 | | |
| 324 | H | 33.9 | Very low | 35.5 | Very low | 165 Ų | 165 | 143.3 Ų | 143.3 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | | | trans | 72.5 | 92.8 | 161.1 | -80.8 | 96.3 | 0 | 0 | 0 | 122.9 | | |
| 325 | H | 31.7 | Very low | 35.4 | Very low | 154 Ų | 154 | 143.6 Ų | 143.6 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | | | | 55.7 | 126.5 | 114.5 | -147.8 | 72.1 | 0 | 0 | 0 | 122.9 | | |
| 326 | H | 33.3 | Very low | 36.2 | Very low | 147 Ų | 147 | 144 Ų | 144 | 68% | 0.681 | 74% | 0.743 | S | S | * | * | | | trans | 82.9 | 131 | 149.4 | -106.1 | 20.9 | 0 | 0 | 0 | 122.9 | | |
| 327 | H | 32.1 | Very low | 36.2 | Very low | 152 Ų | 152 | 150.6 Ų | 150.6 | 70% | 0.704 | 75% | 0.749 | S | S | * | * | | | trans | 45.4 | 127.4 | 150.8 | -88.3 | -84.7 | 0 | 0 | 0 | 124.2 | | |
| 328 | H | 34.5 | Very low | 36.3 | Very low | 161 Ų | 161 | 144.9 Ų | 144.9 | 75% | 0.745 | 74% | 0.742 | S | S | * | * | | | trans | 17.8 | 125.5 | 139.7 | -86.7 | -99 | 0 | 0 | 0 | 118.2 | | |
| 329 | H | 31.8 | Very low | 36.3 | Very low | 163 Ų | 163 | 145 Ų | 145 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | | | | -170.8 | 179.4 | 69.4 | -140 | -89.3 | 0 | 0 | 0 | 114.2 | | |
| 330 | H | 39 | Very low | 36.6 | Very low | 150 Ų | 150 | 149.3 Ų | 149.3 | 69% | 0.694 | 75% | 0.751 | S | S | * | * | | | trans | -64.1 | 146.1 | 178.6 | -78.1 | -105 | 0 | 0 | 0 | 117.6 | | |
| 331 | H | 32.9 | Very low | 37.2 | Very low | 174 Ų | 174 | 148.2 Ų | 148.2 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | | | trans | -147.3 | 141.4 | 134.2 | -90 | -94.5 | 0 | 0 | 0 | 106.8 | | |
| 332 | H | 35.7 | Very low | 37.3 | Very low | 168 Ų | 168 | 148.4 Ų | 148.4 | 78% | 0.778 | 75% | 0.752 | S | S | * | * | | | cis | 77.6 | 134.6 | 41.2 | -87.3 | -65.4 | 0 | 0 | 0 | 116.5 | | |
| 333 | H | 37.1 | Very low | 37.6 | Very low | 168 Ų | 168 | 147.3 Ų | 147.3 | 78% | 0.778 | 76% | 0.755 | S | S | * | * | | | trans | 122.1 | 154.9 | 167.1 | -80.8 | -102.1 | 0 | 0 | 0 | 114.5 | | |
| 334 | P | 49.5 | Very low | 38.4 | Very low | 101 Ų | 101 | 142.8 Ų | 142.8 | 66% | 0.656 | 75% | 0.752 | S | S | * | * | | | cis | -145.7 | 170.9 | -43.8 | 40.1 | -23.5 | 0 | 0 | 0 | 116.7 | | |
| 335 | S | 30.2 | Very low | 38.5 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | | | trans | 67.9 | 170.3 | 145.9 | -90.9 | 0 | 0 | 0 | 0 | 120.6 | | |
| 336 | P | 51.8 | Low | 38.8 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 69% | 0.688 | 76% | 0.763 | S | S | * | * | | | cis | -134.9 | 139.8 | -22.2 | 31.1 | -12.6 | 0 | 0 | 0 | 115.2 | | |
| 337 | Y | 35.9 | Very low | 39.4 | Very low | 234 Ų | 234 | 140.5 Ų | 140.5 | 92% | 0.918 | 77% | 0.767 | S | S | * | * | | | | -167.5 | 170.6 | 124.6 | -130.2 | -104.7 | 0 | 0 | 0 | 112.4 | | |
| 338 | S | 35.5 | Very low | 39.5 | Very low | 93 Ų | 93 | 137.6 Ų | 137.6 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | | | trans | -164.4 | -179.3 | -170.2 | -165.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 339 | P | 53.5 | Low | 39.8 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | | | | -113.8 | 179.6 | -57.2 | 34.8 | -23.3 | 0 | 0 | 0 | 111.4 | | |
| 340 | Y | 42.4 | Very low | 40.3 | Very low | 221 Ų | 221 | 140.3 Ų | 140.3 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | | | trans | -145.6 | 162.1 | 140.8 | -140.2 | -107.7 | 0 | 0 | 0 | 112.1 | | |
| 341 | V | 45.5 | Very low | 40.4 | Very low | 130 Ų | 130 | 137.7 Ų | 137.7 | 79% | 0.788 | 79% | 0.788 | S | S | * | * | | | trans | -76.3 | 160.5 | -171 | -61.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 342 | G | 33.9 | Very low | 40.6 | Very low | 67 Ų | 67 | 132.7 Ų | 132.7 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | | | cis | 156.1 | 158.6 | -7.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 343 | A | 38.6 | Very low | 41.2 | Very low | 103 Ų | 103 | 129.7 Ų | 129.7 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | | | trans | 70.2 | 168.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 344 | P | 47.8 | Very low | 41 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | trans | -115.7 | -148.9 | -139.1 | 44 | -35.3 | 0 | 0 | 0 | 114.7 | | |
| 345 | L | 35.6 | Very low | 40.2 | Very low | 166 Ų | 166 | 133 Ų | 133 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | | | trans | 99 | 103.6 | -179.7 | -55 | 174.8 | 0 | 0 | 0 | 115.4 | | |
| 346 | T | 38.5 | Very low | 40.5 | Very low | 135 Ų | 135 | 134 Ų | 134 | 83% | 0.828 | 79% | 0.785 | S | S | * | * | | | trans | -95.9 | 168.3 | 148.8 | 53.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 347 | P | 44.5 | Very low | 40.5 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | | | cis | -142.7 | -161.4 | 19.3 | 44.9 | -25.3 | 0 | 0 | 0 | 115.9 | | |
| 348 | A | 34.4 | Very low | 40.6 | Very low | 90 Ų | 90 | 128.9 Ų | 128.9 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | | | trans | 86.2 | 145 | 154.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 349 | W | 41.9 | Very low | 41.1 | Very low | 248 Ų | 248 | 132.4 Ų | 132.4 | 94% | 0.939 | 79% | 0.789 | S | S | * | * | | | trans | -96.5 | 143.1 | 175.9 | -67.3 | 53.8 | 0 | 0 | 0 | 109.4 | A351 | W349-A351 PolarHBondContact O-N 3.5Š|
| 350 | P | 41.4 | Very low | 40.3 | Very low | 133 Ų | 133 | 135.2 Ų | 135.2 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | | | trans | -77.5 | 99 | 167 | 31.3 | -31.7 | 0 | 0 | 0 | 110.3 | | |
| 351 | A | 40.6 | Very low | 39.8 | Very low | 96 Ų | 96 | 129.2 Ų | 129.2 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 147.2 | 153 | 0 | 0 | 0 | 0 | 0 | 108.9 | W349 | W349-A351 PolarHBondContact O-N 3.5Š|
| 352 | G | 37.7 | Very low | 39.8 | Very low | 69 Ų | 69 | 131.2 Ų | 131.2 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 157 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 353 | P | 49.4 | Very low | 39.9 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 68% | 0.682 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 159.2 | 172.2 | 34.5 | -38 | 0 | 0 | 0 | 110.7 | | |
| 354 | F | 32.8 | Very low | 39.8 | Very low | 178 Ų | 178 | 137.3 Ų | 137.3 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | | | cis | -148.6 | 160.2 | 42 | -90.8 | -85.1 | 0 | 0 | 0 | 114.7 | | |
| 355 | E | 32.6 | Very low | 39.2 | Very low | 159 Ų | 159 | 143.7 Ų | 143.7 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | | | trans | 53.6 | 86.1 | 159 | -56.9 | -47.3 | 94.3 | 0 | 0 | 120.7 | | |
| 356 | T | 36.6 | Very low | 39.3 | Very low | 134 Ų | 134 | 140.8 Ų | 140.8 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | | | trans | -83.3 | 147.6 | 133.2 | 37 | 0 | 0 | 0 | 0 | 108.8 | | |
| 357 | P | 50.8 | Low | 39 | Very low | 112 Ų | 112 | 138 Ų | 138 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | | -149 | -177.2 | 73.2 | 43.8 | -24.9 | 0 | 0 | 0 | 114 | | |
| 358 | V | 37.9 | Very low | 38.7 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | | | cis | -132.6 | 143.7 | 6 | -172.9 | 0 | 0 | 0 | 0 | 109 | | |
| 359 | L | 47.5 | Very low | 39.4 | Very low | 168 Ų | 168 | 138.6 Ų | 138.6 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | | | trans | -99.5 | 123.2 | 167.1 | -86.6 | 171.1 | 0 | 0 | 0 | 111.5 | | |
| 360 | H | 35.3 | Very low | 39.2 | Very low | 169 Ų | 169 | 134.6 Ų | 134.6 | 78% | 0.782 | 80% | 0.801 | S | S | * | * | | | trans | -161.3 | 140.8 | 161.6 | -89.5 | -63.2 | 0 | 0 | 0 | 108.4 | | |
| 361 | S | 32.9 | Very low | 39.4 | Very low | 95 Ų | 95 | 133.9 Ų | 133.9 | 66% | 0.664 | 80% | 0.796 | S | S | * | * | | | cis | -157.5 | 161 | -15.1 | -115.3 | 0 | 0 | 0 | 0 | 108.1 | Q363 | S361-Q363 PolarHBondContact O-N 3.05Š|
| 362 | L | 44.8 | Very low | 39.7 | Very low | 171 Ų | 171 | 135.3 Ų | 135.3 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | | | trans | -69.2 | 111.7 | 170.8 | -76.9 | 166.6 | 0 | 0 | 0 | 110.8 | | |
| 363 | Q | 35.4 | Very low | 40.2 | Very low | 183 Ų | 183 | 137.6 Ų | 137.6 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | | | trans | -150.2 | 142.1 | 164.7 | -138.9 | 74.1 | 70.8 | 0 | 0 | 112.3 | S361 | S361-Q363 PolarHBondContact O-N 3.05Š|
| 364 | S | 38 | Very low | 40.1 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | trans | -92 | 128 | -165.2 | -41.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 365 | R | 33.4 | Very low | 40.6 | Very low | 254 Ų | 254 | 138.9 Ų | 138.9 | 96% | 0.958 | 80% | 0.802 | S | S | * | * | | | trans | -164.1 | 161.7 | 138.8 | -118.3 | 174.3 | 174.6 | 179.9 | -3.1 | 113.4 | | |
| 366 | A | 38 | Very low | 41.3 | Very low | 105 Ų | 105 | 137 Ų | 137 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | | | trans | -82.9 | 158.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 367 | G | 32.1 | Very low | 41.7 | Very low | 75 Ų | 75 | 134.4 Ų | 134.4 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | | | trans | 173.7 | 68.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 368 | A | 38.4 | Very low | 41.6 | Very low | 102 Ų | 102 | 133 Ų | 133 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | | | trans | 64.5 | 166.7 | 157.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 369 | P | 49.4 | Very low | 42 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | | | trans | -109.4 | 156.7 | -164.1 | 39.5 | -32.2 | 0 | 0 | 0 | 115.5 | | |
| 370 | L | 38.5 | Very low | 42.2 | Very low | 164 Ų | 164 | 131.1 Ų | 131.1 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | | | trans | -125.9 | 155.6 | 160.7 | -77.2 | 178.6 | 0 | 0 | 0 | 110.2 | V372 | L370-V372 PolarHBondContact O-N 2.93Š|
| 371 | P | 45.1 | Very low | 42.9 | Very low | 118 Ų | 118 | 129.2 Ų | 129.2 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 122.6 | -152.4 | 28.7 | -35.2 | 0 | 0 | 0 | 114.2 | P373 | P371-P373 WeakPolarHBondContact O-CD 3.39Š|
| 372 | V | 46.4 | Very low | 43.7 | Very low | 125 Ų | 125 | 131 Ų | 131 | 76% | 0.758 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 125.8 | 164.9 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | L370 R374 | L370-V372 PolarHBondContact O-N 2.93Å; V372-R374 PolarHBondContact O-N 2.97Å; V372-R374 VanDerWaalsContact O-N 3.17Å |
| 373 | P | 48.2 | Very low | 44 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 118.2 | 166.7 | -20.4 | 33 | 0 | 0 | 0 | 109 | P371 G375 | P371-P373 WeakPolarHBondContact O-CD 3.39Å; P373-G375 PolarHBondContact O-N 3.1Å |
| 374 | R | 47.6 | Very low | 44.9 | Very low | 250 Ų | 250 | 124.5 Ų | 124.5 | 94% | 0.943 | 74% | 0.738 | S | S | * | * | | | trans | -59.7 | 108.6 | 178.4 | -82.6 | 179.7 | 157.7 | 83.9 | -3.2 | 109.3 | V372 | V372-R374 PolarHBondContact O-N 2.97Å; V372-R374 VanDerWaalsContact O-N 3.17Å |
| 375 | G | 44.2 | Very low | 45.9 | Very low | 61 Ų | 61 | 122.3 Ų | 122.3 | 63% | 0.629 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 151.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | P373 | P373-G375 PolarHBondContact O-N 3.1Š|
| 376 | P | 47.1 | Very low | 47.2 | Very low | 120 Ų | 120 | 115.6 Ų | 115.6 | 78% | 0.779 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -63 | 147.5 | 172 | 28.3 | -34.2 | 0 | 0 | 0 | 110.7 | | |
| 377 | S | 43.7 | Very low | 48.8 | Very low | 78 Ų | 78 | 114 Ų | 114 | 55% | 0.545 | 69% | 0.685 | S | S | . | * | P | Polyproline II helix | trans | -57.6 | 155.1 | -163.9 | -40.8 | 0 | 0 | 0 | 0 | 116 | D379 L380 | S377-D379 WeakPolarHBondContact CB-OD2 3.3Å; S377-D379 PolarHBondContact O-N 3.38Å; S377-D379 VanDerWaalsContact O-N 3.12Å; S377-L380 PolarHBondContact O-N 3.07Å |
| 378 | A | 49.3 | Very low | 51.5 | Low | 83 Ų | 83 | 114.5 Ų | 114.5 | 69% | 0.686 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -22.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L380 L381 | A378-L380 PolarHBondContact O-N 3.08Å; A378-L380 VanDerWaalsContact O-N 3.11Å; A378-L381 WeakPolarHBondContact O-CB 3.43Å; A378-L381 PolarHBondContact O-N 2.98Å |
| 379 | D | 46.5 | Very low | 54.1 | Low | 126 Ų | 126 | 114.9 Ų | 114.9 | 67% | 0.674 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -54.9 | -28.2 | 178.3 | -51.9 | -85.5 | 0 | 0 | 0 | 114 | S377 L381 | S377-D379 WeakPolarHBondContact CB-OD2 3.3Å; S377-D379 PolarHBondContact O-N 3.38Å; S377-D379 VanDerWaalsContact O-N 3.12Å; D379-L381 VanDerWaalsContact C-N 3.32Å |
| 380 | L | 51.6 | Low | 56.2 | Low | 123 Ų | 123 | 109.2 Ų | 109.2 | 64% | 0.644 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -76.1 | -16 | 175.9 | -81.2 | 172.3 | 0 | 0 | 0 | 114 | S377 A378 | S377-L380 PolarHBondContact O-N 3.07Å; A378-L380 PolarHBondContact O-N 3.08Å; A378-L380 VanDerWaalsContact O-N 3.11Å |
| 381 | L | 50 | Low | 58.8 | Low | 128 Ų | 128 | 105.4 Ų | 105.4 | 67% | 0.67 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -81.7 | -31.5 | 174.8 | -168.2 | 63.1 | 0 | 0 | 0 | 111.4 | A378 D379 | A378-L381 WeakPolarHBondContact O-CB 3.43Å; A378-L381 PolarHBondContact O-N 2.98Å; D379-L381 VanDerWaalsContact C-N 3.32Å |
| 382 | E | 50.6 | Low | 60.9 | Low | 133 Ų | 133 | 101.9 Ų | 101.9 | 62% | 0.621 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.8 | -47.4 | -179.6 | -148.7 | 81.2 | 150 | 0 | 0 | 111.5 | L384 S385 E386 | E382-L384 VanDerWaalsContact C-N 3.26Å; E382-L384 PolarHBondContact O-N 3.2Å; E382-S385 WeakPolarHBondContact O-CA 3.27Å; E382-S385 WeakPolarHBondContact O-CB 3.49Å; E382-S385 PolarHBondContact O-N 2.89Å; E382-S385 PolarHBondContact O-OG 3.34Å; E382-E386 PolarHBondContact O-N 3.35Å |
| 383 | D | 49.7 | Very low | 63 | Low | 97 Ų | 97 | 96.6 Ų | 96.6 | 52% | 0.519 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.3 | -28.6 | -179.4 | -168.9 | 78.7 | 0 | 0 | 0 | 113.1 | S385 E386 S387 | D383-S385 VanDerWaalsContact C-N 3.32Å; D383-E386 PolarHBondContact O-N 2.91Å; D383-S387 WeakPolarHBondContact O-CB 3.33Å; D383-S387 PolarHBondContact O-N 2.96Å; D383-S387 VanDerWaalsContact O-N 3.1Å; D383-S387 PolarHBondContact O-OG 2.87Å |
| 384 | L | 55 | Low | 65 | Low | 120 Ų | 120 | 92.1 Ų | 92.1 | 63% | 0.628 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.9 | -28.3 | 171.4 | -78.8 | 169.7 | 0 | 0 | 0 | 112.9 | E382 | E382-L384 VanDerWaalsContact C-N 3.26Å; E382-L384 PolarHBondContact O-N 3.2Å |
| 385 | S | 58.5 | Low | 67.1 | Low | 69 Ų | 69 | 82.2 Ų | 82.2 | 48% | 0.483 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -77.6 | -42 | 173.5 | 85.3 | 0 | 0 | 0 | 0 | 111.5 | E382 D383 S387 R388 | E382-S385 WeakPolarHBondContact O-CA 3.27Å; E382-S385 WeakPolarHBondContact O-CB 3.49Å; E382-S385 PolarHBondContact O-N 2.89Å; E382-S385 PolarHBondContact O-OG 3.34Å; D383-S385 VanDerWaalsContact C-N 3.32Å; S385-S387 PolarHBondContact O-N 2.96Å; S385-R388 PolarHBondContact O-N 3.2Å |
| 386 | E | 61.7 | Low | 69.3 | Low | 113 Ų | 113 | 83.4 Ų | 83.4 | 53% | 0.528 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59 | -28.4 | 175.5 | -151.9 | 76.6 | -108.6 | 0 | 0 | 112.1 | E382 D383 R388 | E382-E386 PolarHBondContact O-N 3.35Å; D383-E386 PolarHBondContact O-N 2.91Å; E386-R388 PolarHBondContact O-N 2.94Å |
| 387 | S | 72.2 | Confident | 71.4 | Confident | 72 Ų | 72 | 85.6 Ų | 85.6 | 50% | 0.503 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 9.2 | -179.9 | -69.1 | 0 | 0 | 0 | 0 | 115.5 | D383 S385 | D383-S387 WeakPolarHBondContact O-CB 3.33Å; D383-S387 PolarHBondContact O-N 2.96Å; D383-S387 VanDerWaalsContact O-N 3.1Å; D383-S387 PolarHBondContact O-OG 2.87Å; S385-S387 PolarHBondContact O-N 2.96Å |
| 388 | R | 87.9 | Confident | 73.6 | Confident | 86 Ų | 86 | 83.2 Ų | 83.2 | 33% | 0.325 | 46% | 0.455 | S | S | . | . | | | trans | -126.2 | 86.2 | -179.2 | -157 | 127.2 | -65.4 | 160.6 | 8.7 | 112.7 | S385 E386 W401 Y409 | S385-R388 PolarHBondContact O-N 3.2Å; E386-R388 PolarHBondContact O-N 2.94Å; R388-W401 HydrophobicContact CB-CH2 4.43Å; R388-W401 HydrophobicContact CB-CZ2 3.99Å; R388-W401 HydrophobicContact CG-CD2 3.91Å; R388-W401 HydrophobicContact CG-CE3 4.15Å; R388-W401 HydrophobicContact CG-CH2 3.93Å; R388-W401 HydrophobicContact CG-CZ2 3.67Å; R388-W401 HydrophobicContact CG-CZ3 4.16Å; R388-W401 WeakPolarHBondContact O-CH2 3.36Å; R388-W401 WeakPolarHBondContact O-CZ2 3.31Å; R388-Y409 HydrophobicContact CG-CD1 4.11Å; R388-Y409 HydrophobicContact CG-CD2 4.41Å; R388-Y409 HydrophobicContact CG-CG 3.97Å |
| 389 | E | 93.1 | Very high | 75.6 | Confident | 109 Ų | 109 | 85.2 Ų | 85.2 | 51% | 0.509 | 46% | 0.461 | S | S | . | . | | | trans | -95.4 | 145.2 | 168.7 | 64.8 | 170.7 | -164.3 | 0 | 0 | 112.9 | V391 I396 | E389-V391 PolarHBondContact O-N 3.02Å; E389-I396 HydrophobicContact CB-CG2 4.14Å |
| 390 | C | 93.9 | Very high | 77.8 | Confident | 1 Ų | 1 | 83.3 Ų | 83.3 | 1% | 0.007 | 45% | 0.451 | C | S | . | . | | | trans | -70.6 | 117 | 171.7 | 174 | 0 | 0 | 0 | 0 | 111.2 | N392 C393 G394 S395 W401 Y409 C411 | C390-N392 PolarHBondContact O-N 3.36Å; C390-C393 PolarHBondContact O-N 3.27Å; C390-C393 VanDerWaalsContact O-N 3.11Å; C390-C393 PolarHBondContact SG-SG 2.83Å; C390-G394 PolarHBondContact O-N 3.23Å; C390-S395 PolarHBondContact N-O 2.87Å; C390-W401 HydrophobicContact CB-CH2 4.41Å; C390-W401 HydrophobicContact CB-CZ3 4.13Å; C390-Y409 WeakPolarHBondContact CA-O 3.37Å; C390-C411 HydrophobicContact CB-CB 3.87Å; C390-C411 PolarHBondContact SG-N 3.27Å |
| 391 | V | 92.4 | Very high | 79.8 | Confident | 85 Ų | 85 | 81.4 Ų | 81.4 | 52% | 0.515 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -24.3 | -175.4 | -59 | 0 | 0 | 0 | 0 | 114.2 | E389 H408 Y409 L410 | E389-V391 PolarHBondContact O-N 3.02Å; V391-H408 HydrophobicContact CG1-CB 4.08Å; V391-H408 HydrophobicContact CG2-CB 3.86Å; V391-Y409 PolarHBondContact N-O 3.22Å; V391-L410 HydrophobicContact CG2-CD2 3.69Å; V391-L410 HydrophobicContact CG2-CG 4.5Å |
| 392 | N | 90.4 | Very high | 81.9 | Confident | 43 Ų | 43 | 79.2 Ų | 79.2 | 23% | 0.23 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -42.3 | 176.4 | 175.8 | -85.8 | 0 | 0 | 0 | 113.1 | C390 L410 C414 R425 | C390-N392 PolarHBondContact O-N 3.36Å; N392-L410 HydrophobicContact CB-CD2 3.85Å; N392-C414 HydrophobicContact CB-CB 3.97Å; N392-C414 PolarHBondContact OD1-SG 3.18Å; N392-R425 PolarHBondContact ND2-N 3.18Å |
| 393 | C | 90.2 | Very high | 84 | Confident | 15 Ų | 15 | 80.1 Ų | 80.1 | 10% | 0.101 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.9 | 3.2 | -164.7 | 78.9 | 0 | 0 | 0 | 0 | 116.5 | C390 S395 C411 L427 Q431 | C390-C393 PolarHBondContact O-N 3.27Å; C390-C393 VanDerWaalsContact O-N 3.11Å; C390-C393 PolarHBondContact SG-SG 2.83Å; C393-S395 PolarHBondContact O-N 3.47Å; C393-S395 VanDerWaalsContact O-N 3.16Å; C393-C411 PolarHBondContact SG-SG 3.26Å; C393-L427 HydrophobicContact CB-CD1 3.79Å; C393-L427 HydrophobicContact CB-CD2 4.28Å; C393-Q431 PolarHBondContact O-NE2 3.12Å; C393-Q431 PolarHBondContact O-OE1 3.44Å; C393-Q431 VanDerWaalsContact O-OE1 3.12Å |
| 394 | G | 89.9 | Confident | 85.9 | Confident | 23 Ų | 23 | 78 Ų | 78 | 24% | 0.237 | 40% | 0.404 | C | S | . | . | | | trans | 67 | 10.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | C390 I396 | C390-G394 PolarHBondContact O-N 3.23Å; G394-I396 PolarHBondContact O-N 2.88Å |
| 395 | S | 91.1 | Very high | 87.4 | Confident | 42 Ų | 42 | 76.7 Ų | 76.7 | 29% | 0.294 | 42% | 0.42 | S | S | . | . | | | trans | -73.4 | 118.8 | 176.6 | -155 | 0 | 0 | 0 | 0 | 109.9 | C390 C393 Q397 W401 | C390-S395 PolarHBondContact N-O 2.87Å; C393-S395 PolarHBondContact O-N 3.47Å; C393-S395 VanDerWaalsContact O-N 3.16Å; S395-Q397 PolarHBondContact OG-O 2.92Å; S395-W401 WeakPolarHBondContact O-CH2 3.4Å |
| 396 | I | 91.6 | Very high | 88.9 | Confident | 86 Ų | 86 | 78.5 Ų | 78.5 | 44% | 0.441 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -81.1 | -24 | 171.1 | 57.4 | 173.5 | 0 | 0 | 0 | 112.6 | E389 G394 W401 | E389-I396 HydrophobicContact CB-CG2 4.14Å; G394-I396 PolarHBondContact O-N 2.88Å; I396-W401 WeakPolarHBondContact O-CZ2 3.5Å |
| 397 | Q | 89.6 | Confident | 90.2 | Very high | 165 Ų | 165 | 74.6 Ų | 74.6 | 77% | 0.771 | 42% | 0.418 | S | S | * | . | | | trans | -108.1 | 140.9 | 175.8 | -155.6 | -179.3 | 42 | 0 | 0 | 110.4 | S395 | S395-Q397 PolarHBondContact OG-O 2.92Š|
| 398 | T | 91.9 | Very high | 91.1 | Very high | 28 Ų | 28 | 75.4 Ų | 75.4 | 17% | 0.172 | 41% | 0.414 | C | S | . | . | | | trans | -161.9 | 145.4 | 173.3 | -168.3 | 0 | 0 | 0 | 0 | 110.9 | L400 W401 C411 N412 | T398-L400 WeakPolarHBondContact CG2-O 3.48Å; T398-L400 PolarHBondContact O-N 2.85Å; T398-W401 HydrophobicContact CG2-CD2 3.44Å; T398-W401 VanDerWaalsContact CG2-CD2 3.44Å; T398-W401 HydrophobicContact CG2-CE3 3.84Å; T398-W401 HydrophobicContact CG2-CG 3.85Å; T398-W401 HydrophobicContact CG2-CH2 4.13Å; T398-W401 HydrophobicContact CG2-CZ2 3.76Å; T398-W401 HydrophobicContact CG2-CZ3 4.17Å; T398-C411 HydrophobicContact CG2-CB 4.13Å; T398-C411 WeakPolarHBondContact OG1-CB 3.49Å; T398-N412 PolarHBondContact OG1-N 3.26Å |
| 399 | P | 90.9 | Very high | 91.4 | Very high | 126 Ų | 126 | 74.3 Ų | 74.3 | 82% | 0.818 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -70.7 | -13.4 | 177.6 | 27.9 | -36.9 | 0 | 0 | 0 | 114.2 | N412 | P399-N412 HydrophobicContact CG-CB 4.44Š|
| 400 | L | 92.4 | Very high | 91.5 | Very high | 85 Ų | 85 | 69.7 Ų | 69.7 | 45% | 0.445 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -155.5 | 122.9 | 171.5 | 178.2 | 62.5 | 0 | 0 | 0 | 110.5 | T398 N412 | T398-L400 WeakPolarHBondContact CG2-O 3.48Å; T398-L400 PolarHBondContact O-N 2.85Å; L400-N412 HydrophobicContact CB-CB 4.08Å; L400-N412 WeakPolarHBondContact O-CA 3.39Å; L400-N412 WeakPolarHBondContact O-CB 3.13Å; L400-N412 PolarHBondContact O-N 3.07Å |
| 401 | W | 94.1 | Very high | 91.5 | Very high | 83 Ų | 83 | 70 Ų | 70 | 31% | 0.314 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 131.5 | 168.9 | -75.3 | 111.4 | 0 | 0 | 0 | 110.9 | R388 C390 S395 I396 T398 | R388-W401 HydrophobicContact CB-CH2 4.43Å; R388-W401 HydrophobicContact CB-CZ2 3.99Å; R388-W401 HydrophobicContact CG-CD2 3.91Å; R388-W401 HydrophobicContact CG-CE3 4.15Å; R388-W401 HydrophobicContact CG-CH2 3.93Å; R388-W401 HydrophobicContact CG-CZ2 3.67Å; R388-W401 HydrophobicContact CG-CZ3 4.16Å; R388-W401 WeakPolarHBondContact O-CH2 3.36Å; R388-W401 WeakPolarHBondContact O-CZ2 3.31Å; C390-W401 HydrophobicContact CB-CH2 4.41Å; C390-W401 HydrophobicContact CB-CZ3 4.13Å; S395-W401 WeakPolarHBondContact O-CH2 3.4Å; I396-W401 WeakPolarHBondContact O-CZ2 3.5Å; T398-W401 HydrophobicContact CG2-CD2 3.44Å; T398-W401 VanDerWaalsContact CG2-CD2 3.44Å; T398-W401 HydrophobicContact CG2-CE3 3.84Å; T398-W401 HydrophobicContact CG2-CG 3.85Å; T398-W401 HydrophobicContact CG2-CH2 4.13Å; T398-W401 HydrophobicContact CG2-CZ2 3.76Å; T398-W401 HydrophobicContact CG2-CZ3 4.17Å |
| 402 | R | 94.2 | Very high | 91.7 | Very high | 82 Ų | 82 | 67.8 Ų | 67.8 | 31% | 0.309 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 155.8 | 172.7 | -64.1 | -178.3 | 178.7 | -80.6 | -3.2 | 109.2 | L410 N412 | R402-L410 HydrophobicContact CB-CB 4.43Å; R402-L410 PolarHBondContact N-O 3.24Å; R402-L410 PolarHBondContact O-N 3.35Å; R402-N412 VanDerWaalsContact CZ-OD1 3.28Å; R402-N412 PolarHBondContact NE-OD1 2.86Å; R402-N412 PolarHBondContact NH2-OD1 2.98Å |
| 403 | R | 94.4 | Very high | 91.8 | Very high | 152 Ų | 152 | 68 Ų | 68 | 57% | 0.574 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 148.9 | 165.7 | -64 | -179 | -175.5 | -84.8 | 4.6 | 109.7 | G407 H408 Y409 | R403-G407 PolarHBondContact NH1-O 3Å; R403-H408 VanDerWaalsContact CA-O 3.3Å; R403-H408 WeakPolarHBondContact CA-O 3.39Å; R403-Y409 VanDerWaalsContact CZ-CE1 3.44Å; R403-Y409 PolarHBondContact NH1-OH 3.49Å; R403-Y409 VanDerWaalsContact NH1-OH 3.08Å; R403-Y409 PolarHBondContact NH2-OH 3.18Å |
| 404 | D | 87.9 | Confident | 91.9 | Very high | 54 Ų | 54 | 67.4 Ų | 67.4 | 29% | 0.289 | 38% | 0.379 | S | S | . | . | | | trans | -84.5 | 177 | 159.6 | 63.1 | 21 | 0 | 0 | 0 | 110.7 | T406 G407 H408 L410 | D404-T406 PolarHBondContact O-N 3.25Å; D404-T406 VanDerWaalsContact O-N 3.1Å; D404-T406 VanDerWaalsContact OD1-C 3.26Å; D404-T406 WeakPolarHBondContact OD1-CA 3.4Å; D404-T406 PolarHBondContact OD1-N 2.98Å; D404-T406 PolarHBondContact OD1-OG1 3.19Å; D404-T406 PolarHBondContact OD2-OG1 3.38Å; D404-G407 PolarHBondContact O-N 3.23Å; D404-G407 PolarHBondContact OD1-N 2.84Å; D404-H408 PolarHBondContact N-O 3.05Å; D404-H408 IonicContact OD1-CG 3.89Å; D404-H408 PolarHBondContact OD1-N 3.3Å; D404-H408 IonicContact OD1-ND1 3.34Å; D404-H408 PolarHBondContact OD1-ND1 2.93Å; D404-H408 IonicContact OD2-CG 3.72Å; D404-H408 IonicContact OD2-ND1 3.2Å; D404-H408 PolarHBondContact OD2-ND1 2.94Å; D404-L410 HydrophobicContact CB-CD1 4.05Å |
| 405 | G | 87.3 | Confident | 92.1 | Very high | 92 Ų | 92 | 66.7 Ų | 66.7 | 95% | 0.948 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -3.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 406 | T | 89.8 | Confident | 92.2 | Very high | 106 Ų | 106 | 68.8 Ų | 68.8 | 65% | 0.65 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | 8.2 | 173.8 | 46.7 | 0 | 0 | 0 | 0 | 112.4 | D404 H408 | D404-T406 PolarHBondContact O-N 3.25Å; D404-T406 VanDerWaalsContact O-N 3.1Å; D404-T406 VanDerWaalsContact OD1-C 3.26Å; D404-T406 WeakPolarHBondContact OD1-CA 3.4Å; D404-T406 PolarHBondContact OD1-N 2.98Å; D404-T406 PolarHBondContact OD1-OG1 3.19Å; D404-T406 PolarHBondContact OD2-OG1 3.38Å; T406-H408 PolarHBondContact OG1-CE1 3.11Å; T406-H408 PolarHBondContact OG1-ND1 3.48Å |
| 407 | G | 88.8 | Confident | 92.2 | Very high | 31 Ų | 31 | 67.9 Ų | 67.9 | 32% | 0.32 | 37% | 0.371 | S | S | . | . | | | trans | 87.3 | -4.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | R403 D404 | R403-G407 PolarHBondContact NH1-O 3Å; D404-G407 PolarHBondContact O-N 3.23Å; D404-G407 PolarHBondContact OD1-N 2.84Å |
| 408 | H | 92.4 | Very high | 92.2 | Very high | 90 Ų | 90 | 62.4 Ų | 62.4 | 42% | 0.417 | 35% | 0.351 | S | S | . | . | | | trans | -67.2 | 148.5 | -176.4 | -56.6 | 95 | 0 | 0 | 0 | 112.4 | V391 R403 D404 T406 | V391-H408 HydrophobicContact CG1-CB 4.08Å; V391-H408 HydrophobicContact CG2-CB 3.86Å; R403-H408 VanDerWaalsContact CA-O 3.3Å; R403-H408 WeakPolarHBondContact CA-O 3.39Å; D404-H408 PolarHBondContact N-O 3.05Å; D404-H408 IonicContact OD1-CG 3.89Å; D404-H408 PolarHBondContact OD1-N 3.3Å; D404-H408 IonicContact OD1-ND1 3.34Å; D404-H408 PolarHBondContact OD1-ND1 2.93Å; D404-H408 IonicContact OD2-CG 3.72Å; D404-H408 IonicContact OD2-ND1 3.2Å; D404-H408 PolarHBondContact OD2-ND1 2.94Å; T406-H408 PolarHBondContact OG1-CE1 3.11Å; T406-H408 PolarHBondContact OG1-ND1 3.48Å |
| 409 | Y | 94.1 | Very high | 92.1 | Very high | 62 Ų | 62 | 70.1 Ų | 70.1 | 24% | 0.243 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 123.6 | 178.2 | -59.7 | -74 | 0 | 0 | 0 | 111.7 | R388 C390 V391 R403 | R388-Y409 HydrophobicContact CG-CD1 4.11Å; R388-Y409 HydrophobicContact CG-CD2 4.41Å; R388-Y409 HydrophobicContact CG-CG 3.97Å; C390-Y409 WeakPolarHBondContact CA-O 3.37Å; V391-Y409 PolarHBondContact N-O 3.22Å; R403-Y409 VanDerWaalsContact CZ-CE1 3.44Å; R403-Y409 PolarHBondContact NH1-OH 3.49Å; R403-Y409 VanDerWaalsContact NH1-OH 3.08Å; R403-Y409 PolarHBondContact NH2-OH 3.18Å |
| 410 | L | 93.7 | Very high | 91.9 | Very high | 12 Ų | 12 | 71.2 Ų | 71.2 | 6% | 0.063 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 135.7 | 173.6 | -67.4 | 174.4 | 0 | 0 | 0 | 109.6 | V391 N392 R402 D404 C414 | V391-L410 HydrophobicContact CG2-CD2 3.69Å; V391-L410 HydrophobicContact CG2-CG 4.5Å; N392-L410 HydrophobicContact CB-CD2 3.85Å; R402-L410 HydrophobicContact CB-CB 4.43Å; R402-L410 PolarHBondContact N-O 3.24Å; R402-L410 PolarHBondContact O-N 3.35Å; D404-L410 HydrophobicContact CB-CD1 4.05Å; L410-C414 HydrophobicContact CD2-CB 4.32Å |
| 411 | C | 95.3 | Very high | 91.8 | Very high | 7 Ų | 7 | 70.5 Ų | 70.5 | 5% | 0.047 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 156.9 | 169.1 | 75.7 | 0 | 0 | 0 | 0 | 110.6 | C390 C393 T398 A413 C414 G415 | C390-C411 HydrophobicContact CB-CB 3.87Å; C390-C411 PolarHBondContact SG-N 3.27Å; C393-C411 PolarHBondContact SG-SG 3.26Å; T398-C411 HydrophobicContact CG2-CB 4.13Å; T398-C411 WeakPolarHBondContact OG1-CB 3.49Å; C411-A413 PolarHBondContact O-N 2.97Å; C411-A413 VanDerWaalsContact O-N 3.11Å; C411-C414 PolarHBondContact O-N 2.81Å; C411-C414 PolarHBondContact SG-SG 3.47Å; C411-G415 PolarHBondContact O-N 3.25Å |
| 412 | N | 94.9 | Very high | 91.5 | Very high | 40 Ų | 40 | 69.6 Ų | 69.6 | 21% | 0.214 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -48.4 | -46.8 | -175 | -169.5 | 23 | 0 | 0 | 0 | 112.6 | T398 P399 L400 R402 C414 L416 | T398-N412 PolarHBondContact OG1-N 3.26Å; P399-N412 HydrophobicContact CG-CB 4.44Å; L400-N412 HydrophobicContact CB-CB 4.08Å; L400-N412 WeakPolarHBondContact O-CA 3.39Å; L400-N412 WeakPolarHBondContact O-CB 3.13Å; L400-N412 PolarHBondContact O-N 3.07Å; R402-N412 VanDerWaalsContact CZ-OD1 3.28Å; R402-N412 PolarHBondContact NE-OD1 2.86Å; R402-N412 PolarHBondContact NH2-OD1 2.98Å; N412-C414 PolarHBondContact O-N 3.1Å; N412-L416 WeakPolarHBondContact O-CB 3.29Å; N412-L416 VanDerWaalsContact O-CG 3.29Å; N412-L416 WeakPolarHBondContact O-CG 3.43Å; N412-L416 PolarHBondContact O-N 2.9Å; N412-L416 WeakPolarHBondContact OD1-CD1 3.48Å |
| 413 | A | 92.7 | Very high | 91.1 | Very high | 47 Ų | 47 | 70.6 Ų | 70.6 | 39% | 0.388 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.1 | -34.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | C411 Y417 | C411-A413 PolarHBondContact O-N 2.97Å; C411-A413 VanDerWaalsContact O-N 3.11Å; A413-Y417 VanDerWaalsContact O-CB 3.3Å; A413-Y417 WeakPolarHBondContact O-CB 3.38Å; A413-Y417 PolarHBondContact O-N 3.19Å |
| 414 | C | 93.6 | Very high | 90.6 | Very high | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.014 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -81.8 | -37.4 | 179.2 | -64.7 | 0 | 0 | 0 | 0 | 111.9 | N392 L410 C411 N412 S418 | N392-C414 HydrophobicContact CB-CB 3.97Å; N392-C414 PolarHBondContact OD1-SG 3.18Å; L410-C414 HydrophobicContact CD2-CB 4.32Å; C411-C414 PolarHBondContact O-N 2.81Å; C411-C414 PolarHBondContact SG-SG 3.47Å; N412-C414 PolarHBondContact O-N 3.1Å; C414-S418 VanDerWaalsContact O-CB 3.27Å; C414-S418 WeakPolarHBondContact O-CB 3.07Å; C414-S418 PolarHBondContact O-N 2.95Å |
| 415 | G | 93.8 | Very high | 90.5 | Very high | 9 Ų | 9 | 70.1 Ų | 70.1 | 9% | 0.093 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -67.6 | -38.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | C411 K419 | C411-G415 PolarHBondContact O-N 3.25Å; G415-K419 WeakPolarHBondContact O-CB 3.32Å; G415-K419 PolarHBondContact O-N 2.82Å |
| 416 | L | 92.2 | Very high | 90.1 | Very high | 85 Ų | 85 | 69.1 Ų | 69.1 | 45% | 0.445 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.8 | -49.2 | 172.5 | -76.5 | 169.5 | 0 | 0 | 0 | 111.7 | N412 S418 K419 M420 | N412-L416 WeakPolarHBondContact O-CB 3.29Å; N412-L416 VanDerWaalsContact O-CG 3.29Å; N412-L416 WeakPolarHBondContact O-CG 3.43Å; N412-L416 PolarHBondContact O-N 2.9Å; N412-L416 WeakPolarHBondContact OD1-CD1 3.48Å; L416-S418 PolarHBondContact O-N 2.74Å; L416-K419 PolarHBondContact O-N 3.11Å; L416-M420 WeakPolarHBondContact O-CB 3.3Å; L416-M420 PolarHBondContact O-N 3.42Å |
| 417 | Y | 91.7 | Very high | 89.5 | Confident | 68 Ų | 68 | 67.7 Ų | 67.7 | 27% | 0.267 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 178.3 | -170 | -81.4 | 0 | 0 | 0 | 111.7 | A413 K419 M420 N421 L423 R425 P426 | A413-Y417 VanDerWaalsContact O-CB 3.3Å; A413-Y417 WeakPolarHBondContact O-CB 3.38Å; A413-Y417 PolarHBondContact O-N 3.19Å; Y417-K419 VanDerWaalsContact C-N 3.3Å; Y417-K419 PolarHBondContact O-N 3.46Å; Y417-M420 PolarHBondContact O-N 3.17Å; Y417-N421 HydrophobicContact CD1-CB 4.19Å; Y417-N421 WeakPolarHBondContact CD2-OD1 3.34Å; Y417-N421 HydrophobicContact CE1-CB 3.87Å; Y417-N421 WeakPolarHBondContact CE2-OD1 2.97Å; Y417-N421 WeakPolarHBondContact O-CB 3.39Å; Y417-N421 PolarHBondContact O-N 3.46Å; Y417-N421 PolarHBondContact O-OD1 3.35Å; Y417-L423 VanDerWaalsContact CD1-O 3.31Å; Y417-L423 WeakPolarHBondContact CD1-O 3.33Å; Y417-R425 VanDerWaalsContact CD1-CA 3.4Å; Y417-R425 HydrophobicContact CD1-CB 3.7Å; Y417-R425 HydrophobicContact CD1-CG 4.05Å; Y417-R425 HydrophobicContact CD2-CG 4.08Å; Y417-R425 HydrophobicContact CE1-CB 4.32Å; Y417-R425 HydrophobicContact CG-CB 3.87Å; Y417-R425 HydrophobicContact CG-CG 3.8Å; Y417-P426 VanDerWaalsContact CZ-CD 3.48Å; Y417-P426 WeakPolarHBondContact OH-CD 3.43Å |
| 418 | S | 90.3 | Very high | 88.7 | Confident | 49 Ų | 49 | 73.9 Ų | 73.9 | 34% | 0.343 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.7 | -33.3 | 178.9 | -162.6 | 0 | 0 | 0 | 0 | 112.8 | C414 L416 G422 L423 | C414-S418 VanDerWaalsContact O-CB 3.27Å; C414-S418 WeakPolarHBondContact O-CB 3.07Å; C414-S418 PolarHBondContact O-N 2.95Å; L416-S418 PolarHBondContact O-N 2.74Å; S418-G422 WeakPolarHBondContact O-CA 3.4Å; S418-G422 PolarHBondContact O-N 3.02Å; S418-L423 WeakPolarHBondContact CA-O 3.04Å |
| 419 | K | 89.7 | Confident | 87.5 | Confident | 190 Ų | 190 | 77.9 Ų | 77.9 | 83% | 0.826 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -74.3 | -36.1 | 175.2 | -175.3 | 173.1 | -179.3 | 177.5 | 0 | 112.6 | G415 L416 Y417 | G415-K419 WeakPolarHBondContact O-CB 3.32Å; G415-K419 PolarHBondContact O-N 2.82Å; L416-K419 PolarHBondContact O-N 3.11Å; Y417-K419 VanDerWaalsContact C-N 3.3Å; Y417-K419 PolarHBondContact O-N 3.46Å |
| 420 | M | 87.1 | Confident | 85.8 | Confident | 149 Ų | 149 | 80.3 Ų | 80.3 | 73% | 0.734 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -81.7 | -38.9 | -176.8 | -174.3 | 175.4 | 72.4 | 0 | 0 | 113 | L416 Y417 | L416-M420 WeakPolarHBondContact O-CB 3.3Å; L416-M420 PolarHBondContact O-N 3.42Å; Y417-M420 PolarHBondContact O-N 3.17Å |
| 421 | N | 89.6 | Confident | 84.1 | Confident | 70 Ų | 70 | 84.1 Ų | 84.1 | 37% | 0.374 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -105.3 | -5.6 | -172 | -63.9 | 97.5 | 0 | 0 | 0 | 113.9 | Y417 L423 | Y417-N421 HydrophobicContact CD1-CB 4.19Å; Y417-N421 WeakPolarHBondContact CD2-OD1 3.34Å; Y417-N421 HydrophobicContact CE1-CB 3.87Å; Y417-N421 WeakPolarHBondContact CE2-OD1 2.97Å; Y417-N421 WeakPolarHBondContact O-CB 3.39Å; Y417-N421 PolarHBondContact O-N 3.46Å; Y417-N421 PolarHBondContact O-OD1 3.35Å; N421-L423 PolarHBondContact O-N 3.04Å |
| 422 | G | 87.4 | Confident | 82.2 | Confident | 65 Ų | 65 | 93.6 Ų | 93.6 | 67% | 0.67 | 50% | 0.496 | S | S | * | . | S | Bend | trans | 63.5 | 8.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S418 | S418-G422 WeakPolarHBondContact O-CA 3.4Å; S418-G422 PolarHBondContact O-N 3.02Å |
| 423 | L | 86.8 | Confident | 80.4 | Confident | 102 Ų | 102 | 101 Ų | 101 | 53% | 0.534 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -134.2 | 147 | -170.2 | -68.4 | 174.1 | 0 | 0 | 0 | 110.8 | Y417 S418 N421 R425 | Y417-L423 VanDerWaalsContact CD1-O 3.31Å; Y417-L423 WeakPolarHBondContact CD1-O 3.33Å; S418-L423 WeakPolarHBondContact CA-O 3.04Å; N421-L423 PolarHBondContact O-N 3.04Å; L423-R425 PolarHBondContact O-N 3.42Å |
| 424 | S | 83.9 | Confident | 78.6 | Confident | 87 Ų | 87 | 104.6 Ų | 104.6 | 61% | 0.608 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 132.9 | 173.9 | 55.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 425 | R | 84.9 | Confident | 76.8 | Confident | 110 Ų | 110 | 108.6 Ų | 108.6 | 42% | 0.415 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -57.2 | 124.6 | -176.5 | -169 | 175.9 | -176.9 | -122.1 | 2.5 | 111.8 | N392 Y417 L423 L427 | N392-R425 PolarHBondContact ND2-N 3.18Å; Y417-R425 VanDerWaalsContact CD1-CA 3.4Å; Y417-R425 HydrophobicContact CD1-CB 3.7Å; Y417-R425 HydrophobicContact CD1-CG 4.05Å; Y417-R425 HydrophobicContact CD2-CG 4.08Å; Y417-R425 HydrophobicContact CE1-CB 4.32Å; Y417-R425 HydrophobicContact CG-CB 3.87Å; Y417-R425 HydrophobicContact CG-CG 3.8Å; L423-R425 PolarHBondContact O-N 3.42Å; R425-L427 PolarHBondContact O-N 3.17Å |
| 426 | P | 79.6 | Confident | 75.2 | Confident | 71 Ų | 71 | 110.4 Ų | 110.4 | 46% | 0.461 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -72.5 | 120.7 | 179.9 | 27.5 | -33 | 0 | 0 | 0 | 110.8 | Y417 I428 | Y417-P426 VanDerWaalsContact CZ-CD 3.48Å; Y417-P426 WeakPolarHBondContact OH-CD 3.43Å; P426-I428 PolarHBondContact O-N 2.9Å |
| 427 | L | 77.8 | Confident | 73.6 | Confident | 75 Ų | 75 | 110.7 Ų | 110.7 | 39% | 0.393 | 58% | 0.584 | S | S | . | * | | | trans | -79.7 | 85.4 | 177 | -101.8 | 63.8 | 0 | 0 | 0 | 110.9 | C393 R425 K429 Q431 | C393-L427 HydrophobicContact CB-CD1 3.79Å; C393-L427 HydrophobicContact CB-CD2 4.28Å; R425-L427 PolarHBondContact O-N 3.17Å; L427-K429 PolarHBondContact O-N 3.11Å; L427-Q431 HydrophobicContact CD2-CG 4.17Å |
| 428 | I | 71.8 | Confident | 72.2 | Confident | 161 Ų | 161 | 117.5 Ų | 117.5 | 83% | 0.826 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -61.4 | -30 | 179.2 | -64.6 | 166.2 | 0 | 0 | 0 | 112.1 | P426 | P426-I428 PolarHBondContact O-N 2.9Š|
| 429 | K | 66.8 | Low | 71.1 | Confident | 175 Ų | 175 | 120.8 Ų | 120.8 | 76% | 0.761 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -97.2 | 125.3 | 164.3 | -135.1 | 81.9 | 171.5 | -171 | 0 | 107.7 | L427 Q431 | L427-K429 PolarHBondContact O-N 3.11Å; K429-Q431 PolarHBondContact O-N 3.34Å |
| 430 | P | 57.8 | Low | 70.3 | Confident | 112 Ų | 112 | 117.8 Ų | 117.8 | 73% | 0.727 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 121.9 | 164.2 | 27.5 | -32 | 0 | 0 | 0 | 107.1 | K432 | P430-K432 PolarHBondContact O-N 3.07Å; P430-K432 VanDerWaalsContact O-N 3.17Å |
| 431 | Q | 58.7 | Low | 70.1 | Confident | 92 Ų | 92 | 114.4 Ų | 114.4 | 43% | 0.43 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 126.4 | 173 | -89.3 | -144.2 | -32.6 | 0 | 0 | 108.9 | C393 L427 K429 R433 | C393-Q431 PolarHBondContact O-NE2 3.12Å; C393-Q431 PolarHBondContact O-OE1 3.44Å; C393-Q431 VanDerWaalsContact O-OE1 3.12Å; L427-Q431 HydrophobicContact CD2-CG 4.17Å; K429-Q431 PolarHBondContact O-N 3.34Å; Q431-R433 PolarHBondContact O-N 2.71Å |
| 432 | K | 54.3 | Low | 70.2 | Confident | 206 Ų | 206 | 113.8 Ų | 113.8 | 90% | 0.896 | 61% | 0.606 | S | S | * | * | | | trans | -60.2 | 89.5 | 146.4 | -73.3 | -174.8 | 178.6 | -177.9 | 0 | 105.4 | P430 V434 | P430-K432 PolarHBondContact O-N 3.07Å; P430-K432 VanDerWaalsContact O-N 3.17Å; K432-V434 VanDerWaalsContact C-N 3.35Å; K432-V434 PolarHBondContact O-N 2.88Å |
| 433 | R | 57.9 | Low | 70.6 | Confident | 197 Ų | 197 | 113 Ų | 113 | 74% | 0.743 | 59% | 0.591 | S | S | * | * | | | trans | -56.5 | 105.8 | 168.2 | -94.5 | -176.1 | 164.2 | 154.8 | -3.8 | 105.8 | Q431 | Q431-R433 PolarHBondContact O-N 2.71Š|
| 434 | V | 55.3 | Low | 71 | Confident | 121 Ų | 121 | 108.1 Ų | 108.1 | 73% | 0.733 | 57% | 0.565 | S | S | * | * | | | trans | -51.9 | 128.4 | 172.7 | -124.9 | 0 | 0 | 0 | 0 | 106.2 | K432 S436 | K432-V434 VanDerWaalsContact C-N 3.35Å; K432-V434 PolarHBondContact O-N 2.88Å; V434-S436 VanDerWaalsContact C-N 3.27Å; V434-S436 PolarHBondContact O-N 3.16Å |
| 435 | P | 55.7 | Low | 71.6 | Confident | 86 Ų | 86 | 105.8 Ų | 105.8 | 56% | 0.558 | 55% | 0.551 | S | S | * | * | | | trans | -66.2 | 95.8 | 177.2 | 26.6 | -32.2 | 0 | 0 | 0 | 107.2 | S437 R439 | P435-S437 PolarHBondContact O-N 3.36Å; P435-R439 HydrophobicContact CB-CB 4.41Å |
| 436 | S | 60.2 | Low | 72.2 | Confident | 48 Ų | 48 | 102.6 Ų | 102.6 | 34% | 0.336 | 54% | 0.542 | S | S | . | . | | | trans | -32.1 | 124.2 | 175.4 | 174.5 | 0 | 0 | 0 | 0 | 110 | V434 R438 R439 | V434-S436 VanDerWaalsContact C-N 3.27Å; V434-S436 PolarHBondContact O-N 3.16Å; S436-R438 CarbonylContact O-C 3.47Å; S436-R438 PolarHBondContact O-N 3.05Å; S436-R439 WeakPolarHBondContact O-CB 3.34Å; S436-R439 PolarHBondContact O-N 3.18Å |
| 437 | S | 58.3 | Low | 72.9 | Confident | 90 Ų | 90 | 99.4 Ų | 99.4 | 63% | 0.629 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -47.9 | -33.5 | -159.9 | -167.5 | 0 | 0 | 0 | 0 | 113.9 | P435 R439 L440 | P435-S437 PolarHBondContact O-N 3.36Å; S437-R439 PolarHBondContact O-N 2.91Å; S437-L440 WeakPolarHBondContact O-CB 3.46Å; S437-L440 WeakPolarHBondContact O-CG 3.33Å; S437-L440 PolarHBondContact O-N 3.12Å |
| 438 | R | 63 | Low | 73.8 | Confident | 211 Ų | 211 | 101.9 Ų | 101.9 | 80% | 0.796 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -54.2 | 5.3 | 166.8 | -58.3 | -174.6 | -72.2 | -153.6 | -4.2 | 116.6 | S436 | S436-R438 CarbonylContact O-C 3.47Å; S436-R438 PolarHBondContact O-N 3.05Å |
| 439 | R | 66.4 | Low | 74.8 | Confident | 118 Ų | 118 | 95.1 Ų | 95.1 | 45% | 0.445 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -109.7 | -7.9 | 172.8 | -74.7 | -169.5 | -94 | -91.8 | 5.9 | 113.7 | P435 S436 S437 L442 | P435-R439 HydrophobicContact CB-CB 4.41Å; S436-R439 WeakPolarHBondContact O-CB 3.34Å; S436-R439 PolarHBondContact O-N 3.18Å; S437-R439 PolarHBondContact O-N 2.91Å; R439-L442 PolarHBondContact O-N 2.94Å |
| 440 | L | 72.6 | Confident | 76.1 | Confident | 127 Ų | 127 | 91.1 Ų | 91.1 | 67% | 0.665 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 137.9 | 169.3 | -62.4 | 171.3 | 0 | 0 | 0 | 109 | S437 L442 | S437-L440 WeakPolarHBondContact O-CB 3.46Å; S437-L440 WeakPolarHBondContact O-CG 3.33Å; S437-L440 PolarHBondContact O-N 3.12Å; L440-L442 VanDerWaalsContact C-N 3.26Å; L440-L442 PolarHBondContact O-N 3.32Å |
| 441 | G | 83.6 | Confident | 77.8 | Confident | 79 Ų | 79 | 89.6 Ų | 89.6 | 81% | 0.814 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | -12.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | S443 | G441-S443 PolarHBondContact O-N 3.31Š|
| 442 | L | 91.3 | Very high | 79.4 | Confident | 56 Ų | 56 | 86.9 Ų | 86.9 | 29% | 0.293 | 47% | 0.466 | S | S | . | . | | | trans | -71.3 | 119.6 | 177.7 | -85.3 | 63.5 | 0 | 0 | 0 | 110.7 | R439 L440 T450 W455 | R439-L442 PolarHBondContact O-N 2.94Å; L440-L442 VanDerWaalsContact C-N 3.26Å; L440-L442 PolarHBondContact O-N 3.32Å; L442-T450 WeakPolarHBondContact O-CA 3.18Å; L442-W455 HydrophobicContact CB-CH2 4.17Å; L442-W455 HydrophobicContact CB-CZ2 3.69Å; L442-W455 HydrophobicContact CD2-CD2 4.43Å; L442-W455 HydrophobicContact CD2-CG 4.45Å; L442-W455 WeakPolarHBondContact O-CH2 3.32Å; L442-W455 WeakPolarHBondContact O-CZ2 3.32Å |
| 443 | S | 95.2 | Very high | 81.2 | Confident | 49 Ų | 49 | 82 Ų | 82 | 34% | 0.343 | 45% | 0.453 | S | S | . | . | | | trans | -124.3 | 155.8 | 173.1 | 75.6 | 0 | 0 | 0 | 0 | 111 | G441 | G441-S443 PolarHBondContact O-N 3.31Š|
| 444 | C | 96.4 | Very high | 82.8 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 44% | 0.44 | C | S | . | . | | | trans | -80.8 | 119.2 | 178.4 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | N446 C447 H448 T449 W455 P463 C465 | C444-N446 PolarHBondContact O-N 3.1Å; C444-N446 VanDerWaalsContact O-N 3.09Å; C444-C447 PolarHBondContact O-N 3.49Å; C444-C447 VanDerWaalsContact O-N 3.14Å; C444-H448 VanDerWaalsContact O-CA 3.24Å; C444-H448 WeakPolarHBondContact O-CA 3.39Å; C444-H448 PolarHBondContact O-N 2.77Å; C444-T449 PolarHBondContact N-O 3.47Å; C444-W455 HydrophobicContact CB-CZ3 4.17Å; C444-P463 WeakPolarHBondContact CA-O 3.43Å; C444-C465 HydrophobicContact CB-CB 3.91Å; C444-C465 PolarHBondContact SG-N 2.85Å |
| 445 | A | 96.6 | Very high | 84.7 | Confident | 37 Ų | 37 | 73.6 Ų | 73.6 | 31% | 0.306 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -38.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | H448 E462 P463 V464 | A445-H448 PolarHBondContact O-CE1 2.85Å; A445-H448 VanDerWaalsContact O-CE1 3.27Å; A445-E462 HydrophobicContact CB-CB 4.23Å; A445-P463 PolarHBondContact N-O 2.76Å; A445-V464 HydrophobicContact CB-CG1 4.23Å |
| 446 | N | 96.3 | Very high | 86.6 | Confident | 44 Ų | 44 | 73.7 Ų | 73.7 | 24% | 0.235 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -18.9 | -177.9 | 162.2 | -103.4 | 0 | 0 | 0 | 115.9 | C444 C468 R479 L481 | C444-N446 PolarHBondContact O-N 3.1Å; C444-N446 VanDerWaalsContact O-N 3.09Å; N446-C468 HydrophobicContact CB-CB 4.32Å; N446-C468 VanDerWaalsContact OD1-CB 3.28Å; N446-C468 WeakPolarHBondContact OD1-CB 3.39Å; N446-C468 PolarHBondContact OD1-SG 3.17Å; N446-R479 PolarHBondContact ND2-O 3.19Å; N446-L481 WeakPolarHBondContact O-CD2 3.09Å |
| 447 | C | 95.8 | Very high | 88.3 | Confident | 3 Ų | 3 | 80.9 Ų | 80.9 | 2% | 0.02 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -145.8 | 5.1 | -174.5 | 79.9 | 0 | 0 | 0 | 0 | 116 | C444 T449 L481 K484 | C444-C447 PolarHBondContact O-N 3.49Å; C444-C447 VanDerWaalsContact O-N 3.14Å; C447-T449 PolarHBondContact O-N 3.27Å; C447-T449 PolarHBondContact O-OG1 3.37Å; C447-T449 PolarHBondContact SG-OG1 2.89Å; C447-L481 HydrophobicContact CB-CD2 4.01Å; C447-K484 PolarHBondContact O-NZ 3.34Å; C447-K484 VanDerWaalsContact O-NZ 3.16Å |
| 448 | H | 95.3 | Very high | 90.1 | Very high | 128 Ų | 128 | 78.6 Ų | 78.6 | 59% | 0.593 | 41% | 0.405 | S | S | * | . | | | trans | 53.5 | 10 | 178.3 | -44.9 | -57.1 | 0 | 0 | 0 | 116.1 | C444 A445 T450 | C444-H448 VanDerWaalsContact O-CA 3.24Å; C444-H448 WeakPolarHBondContact O-CA 3.39Å; C444-H448 PolarHBondContact O-N 2.77Å; A445-H448 PolarHBondContact O-CE1 2.85Å; A445-H448 VanDerWaalsContact O-CE1 3.27Å; H448-T450 PolarHBondContact O-N 3.22Å |
| 449 | T | 94.1 | Very high | 91.5 | Very high | 19 Ų | 19 | 73.4 Ų | 73.4 | 12% | 0.117 | 41% | 0.406 | C | S | . | . | | | trans | -67 | 122.8 | 174 | -50.9 | 0 | 0 | 0 | 0 | 110 | C444 C447 T451 W455 | C444-T449 PolarHBondContact N-O 3.47Å; C447-T449 PolarHBondContact O-N 3.27Å; C447-T449 PolarHBondContact O-OG1 3.37Å; C447-T449 PolarHBondContact SG-OG1 2.89Å; T449-T451 VanDerWaalsContact CG2-O 3.22Å; T449-T451 WeakPolarHBondContact CG2-O 3.37Å; T449-W455 WeakPolarHBondContact O-CH2 3.5Å |
| 450 | T | 93.7 | Very high | 92.8 | Very high | 91 Ų | 91 | 74.4 Ų | 74.4 | 56% | 0.558 | 42% | 0.416 | S | S | * | . | | | trans | -84.3 | -16.2 | 176.2 | 52.4 | 0 | 0 | 0 | 0 | 113.2 | L442 H448 W455 | L442-T450 WeakPolarHBondContact O-CA 3.18Å; H448-T450 PolarHBondContact O-N 3.22Å; T450-W455 WeakPolarHBondContact O-CZ2 3.46Å |
| 451 | T | 92.2 | Very high | 93.8 | Very high | 79 Ų | 79 | 69.6 Ų | 69.6 | 49% | 0.485 | 40% | 0.398 | S | S | . | . | | | trans | -104.7 | 123 | 179.6 | 58.1 | 0 | 0 | 0 | 0 | 111.3 | T449 | T449-T451 VanDerWaalsContact CG2-O 3.22Å; T449-T451 WeakPolarHBondContact CG2-O 3.37Å |
| 452 | T | 93.3 | Very high | 94.4 | Very high | 35 Ų | 35 | 70.3 Ų | 70.3 | 22% | 0.215 | 38% | 0.38 | C | S | . | . | | | trans | -151.1 | 156.7 | 174.9 | -160.9 | 0 | 0 | 0 | 0 | 112.6 | L454 W455 C465 N466 | T452-L454 WeakPolarHBondContact CG2-O 3.31Å; T452-W455 HydrophobicContact CG2-CD2 3.51Å; T452-W455 HydrophobicContact CG2-CE3 3.91Å; T452-W455 HydrophobicContact CG2-CG 3.83Å; T452-W455 HydrophobicContact CG2-CH2 4.39Å; T452-W455 HydrophobicContact CG2-CZ2 4.06Å; T452-W455 HydrophobicContact CG2-CZ3 4.33Å; T452-C465 HydrophobicContact CG2-CB 4.32Å; T452-C465 WeakPolarHBondContact OG1-CB 3.36Å; T452-N466 PolarHBondContact OG1-N 3.09Å |
| 453 | T | 91.8 | Very high | 94.6 | Very high | 103 Ų | 103 | 70.2 Ų | 70.2 | 63% | 0.632 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -78.2 | -22.2 | 178.3 | 52.4 | 0 | 0 | 0 | 0 | 113.3 | I488 | T453-I488 HydrophobicContact CG2-CG2 3.68Š|
| 454 | L | 93 | Very high | 94.7 | Very high | 88 Ų | 88 | 68.3 Ų | 68.3 | 46% | 0.461 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -157 | 124.8 | 175.2 | 172.3 | 63.8 | 0 | 0 | 0 | 108.7 | T452 R456 N466 | T452-L454 WeakPolarHBondContact CG2-O 3.31Å; L454-R456 HydrophobicContact CG-CG 4.43Å; L454-N466 HydrophobicContact CB-CB 4.09Å; L454-N466 WeakPolarHBondContact O-CA 3.25Å; L454-N466 VanDerWaalsContact O-CB 3.32Å; L454-N466 WeakPolarHBondContact O-CB 3.4Å; L454-N466 PolarHBondContact O-N 3.06Å |
| 455 | W | 94.9 | Very high | 94.7 | Very high | 54 Ų | 54 | 68.6 Ų | 68.6 | 21% | 0.205 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 139.6 | 166.9 | -71.3 | 110.9 | 0 | 0 | 0 | 109.8 | L442 C444 T449 T450 T452 P463 | L442-W455 HydrophobicContact CB-CH2 4.17Å; L442-W455 HydrophobicContact CB-CZ2 3.69Å; L442-W455 HydrophobicContact CD2-CD2 4.43Å; L442-W455 HydrophobicContact CD2-CG 4.45Å; L442-W455 WeakPolarHBondContact O-CH2 3.32Å; L442-W455 WeakPolarHBondContact O-CZ2 3.32Å; C444-W455 HydrophobicContact CB-CZ3 4.17Å; T449-W455 WeakPolarHBondContact O-CH2 3.5Å; T450-W455 WeakPolarHBondContact O-CZ2 3.46Å; T452-W455 HydrophobicContact CG2-CD2 3.51Å; T452-W455 HydrophobicContact CG2-CE3 3.91Å; T452-W455 HydrophobicContact CG2-CG 3.83Å; T452-W455 HydrophobicContact CG2-CH2 4.39Å; T452-W455 HydrophobicContact CG2-CZ2 4.06Å; T452-W455 HydrophobicContact CG2-CZ3 4.33Å; W455-P463 HydrophobicContact CE3-CB 4.2Å; W455-P463 HydrophobicContact CZ3-CB 4.37Å |
| 456 | R | 95.4 | Very high | 94.7 | Very high | 89 Ų | 89 | 68.5 Ų | 68.5 | 34% | 0.336 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 171.1 | 174.3 | -65.5 | -178.8 | 177.1 | -80.8 | -4.3 | 108.7 | L454 V464 N466 | L454-R456 HydrophobicContact CG-CG 4.43Å; R456-V464 HydrophobicContact CB-CG2 3.91Å; R456-V464 PolarHBondContact N-O 3.12Å; R456-V464 PolarHBondContact O-N 3.11Å; R456-N466 PolarHBondContact NE-OD1 2.78Å; R456-N466 PolarHBondContact NH2-OD1 3.4Å |
| 457 | R | 96.1 | Very high | 94.7 | Very high | 198 Ų | 198 | 68.3 Ų | 68.3 | 75% | 0.747 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 149 | 164.3 | -63.1 | -179.2 | -174.9 | -96.9 | 8.9 | 110.1 | G461 E462 | R457-G461 WeakPolarHBondContact CD-O 3.42Å; R457-G461 WeakPolarHBondContact CG-O 3.49Å; R457-G461 PolarHBondContact NH1-O 3.02Å; R457-E462 VanDerWaalsContact CA-O 3.25Å; R457-E462 WeakPolarHBondContact CA-O 3.33Å |
| 458 | N | 94.5 | Very high | 94.8 | Very high | 43 Ų | 43 | 68.4 Ų | 68.4 | 23% | 0.23 | 37% | 0.37 | C | S | . | . | | | trans | -80.7 | -171.2 | 163.6 | 59.2 | -6.8 | 0 | 0 | 0 | 110.3 | E460 G461 E462 V464 | N458-E460 WeakPolarHBondContact CB-OE2 3.46Å; N458-E460 PolarHBondContact ND2-OE2 3.44Å; N458-E460 PolarHBondContact O-N 2.9Å; N458-G461 PolarHBondContact O-N 3.32Å; N458-G461 PolarHBondContact OD1-N 3.37Å; N458-G461 VanDerWaalsContact OD1-N 3.1Å; N458-E462 PolarHBondContact N-O 3.25Å; N458-E462 PolarHBondContact ND2-OE2 3.2Å; N458-E462 WeakPolarHBondContact OD1-CA 3.3Å; N458-E462 VanDerWaalsContact OD1-CB 3.31Å; N458-E462 WeakPolarHBondContact OD1-CB 3.46Å; N458-E462 PolarHBondContact OD1-N 3.37Å; N458-E462 PolarHBondContact OD1-O 3.23Å; N458-V464 HydrophobicContact CB-CG1 4.07Å |
| 459 | A | 94 | Very high | 94.9 | Very high | 101 Ų | 101 | 63 Ų | 63 | 84% | 0.835 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -27.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | G461 | A459-G461 VanDerWaalsContact C-N 3.25Å; A459-G461 PolarHBondContact O-N 2.77Å |
| 460 | E | 93.4 | Very high | 95 | Very high | 139 Ų | 139 | 66 Ų | 66 | 65% | 0.65 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -7.4 | 179.1 | -53.9 | 68.7 | -152.2 | 0 | 0 | 112.2 | N458 E462 | N458-E460 WeakPolarHBondContact CB-OE2 3.46Å; N458-E460 PolarHBondContact ND2-OE2 3.44Å; N458-E460 PolarHBondContact O-N 2.9Å; E460-E462 HydrophobicContact CB-CG 4.23Å; E460-E462 PolarHBondContact O-N 2.95Å |
| 461 | G | 93.9 | Very high | 95.2 | Very high | 27 Ų | 27 | 64 Ų | 64 | 28% | 0.278 | 35% | 0.347 | S | S | . | . | | | trans | 86.5 | -7.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | R457 N458 A459 | R457-G461 WeakPolarHBondContact CD-O 3.42Å; R457-G461 WeakPolarHBondContact CG-O 3.49Å; R457-G461 PolarHBondContact NH1-O 3.02Å; N458-G461 PolarHBondContact O-N 3.32Å; N458-G461 PolarHBondContact OD1-N 3.37Å; N458-G461 VanDerWaalsContact OD1-N 3.1Å; A459-G461 VanDerWaalsContact C-N 3.25Å; A459-G461 PolarHBondContact O-N 2.77Å |
| 462 | E | 94.7 | Very high | 95.4 | Very high | 93 Ų | 93 | 64.2 Ų | 64.2 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | | | trans | -67.4 | 153.6 | -179.8 | -50.9 | 179.2 | 110.5 | 0 | 0 | 113.6 | A445 R457 N458 E460 V464 | A445-E462 HydrophobicContact CB-CB 4.23Å; R457-E462 VanDerWaalsContact CA-O 3.25Å; R457-E462 WeakPolarHBondContact CA-O 3.33Å; N458-E462 PolarHBondContact N-O 3.25Å; N458-E462 PolarHBondContact ND2-OE2 3.2Å; N458-E462 WeakPolarHBondContact OD1-CA 3.3Å; N458-E462 VanDerWaalsContact OD1-CB 3.31Å; N458-E462 WeakPolarHBondContact OD1-CB 3.46Å; N458-E462 PolarHBondContact OD1-N 3.37Å; N458-E462 PolarHBondContact OD1-O 3.23Å; E460-E462 HydrophobicContact CB-CG 4.23Å; E460-E462 PolarHBondContact O-N 2.95Å; E462-V464 PolarHBondContact O-N 3.01Å |
| 463 | P | 96 | Very high | 95.6 | Very high | 55 Ų | 55 | 71 Ų | 71 | 36% | 0.357 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 122.7 | 176 | 28.2 | -34.5 | 0 | 0 | 0 | 112.6 | C444 A445 W455 | C444-P463 WeakPolarHBondContact CA-O 3.43Å; A445-P463 PolarHBondContact N-O 2.76Å; W455-P463 HydrophobicContact CE3-CB 4.2Å; W455-P463 HydrophobicContact CZ3-CB 4.37Å |
| 464 | V | 96.7 | Very high | 95.8 | Very high | 8 Ų | 8 | 72.6 Ų | 72.6 | 5% | 0.048 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 147.1 | 170.8 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | A445 R456 N458 E462 | A445-V464 HydrophobicContact CB-CG1 4.23Å; R456-V464 HydrophobicContact CB-CG2 3.91Å; R456-V464 PolarHBondContact N-O 3.12Å; R456-V464 PolarHBondContact O-N 3.11Å; N458-V464 HydrophobicContact CB-CG1 4.07Å; E462-V464 PolarHBondContact O-N 3.01Å |
| 465 | C | 96.9 | Very high | 96 | Very high | 6 Ų | 6 | 73.3 Ų | 73.3 | 4% | 0.041 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 156.8 | 179.8 | 93.1 | 0 | 0 | 0 | 0 | 111.1 | C444 T452 A467 C468 G469 | C444-C465 HydrophobicContact CB-CB 3.91Å; C444-C465 PolarHBondContact SG-N 2.85Å; T452-C465 HydrophobicContact CG2-CB 4.32Å; T452-C465 WeakPolarHBondContact OG1-CB 3.36Å; C465-A467 PolarHBondContact O-N 2.89Å; C465-A467 VanDerWaalsContact O-N 3.11Å; C465-C468 PolarHBondContact O-N 2.92Å; C465-C468 VanDerWaalsContact O-N 3.12Å; C465-C468 PolarHBondContact SG-SG 2.8Å; C465-G469 PolarHBondContact O-N 3.48Å |
| 466 | N | 97.3 | Very high | 96.1 | Very high | 35 Ų | 35 | 73.7 Ų | 73.7 | 19% | 0.187 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -53.4 | -37.8 | -176.9 | -176.7 | 58.4 | 0 | 0 | 0 | 113.6 | T452 L454 R456 L470 | T452-N466 PolarHBondContact OG1-N 3.09Å; L454-N466 HydrophobicContact CB-CB 4.09Å; L454-N466 WeakPolarHBondContact O-CA 3.25Å; L454-N466 VanDerWaalsContact O-CB 3.32Å; L454-N466 WeakPolarHBondContact O-CB 3.4Å; L454-N466 PolarHBondContact O-N 3.06Å; R456-N466 PolarHBondContact NE-OD1 2.78Å; R456-N466 PolarHBondContact NH2-OD1 3.4Å; N466-L470 WeakPolarHBondContact ND2-CD1 3.39Å; N466-L470 VanDerWaalsContact O-CB 3.3Å; N466-L470 WeakPolarHBondContact O-CB 3.38Å; N466-L470 WeakPolarHBondContact O-CD1 3.47Å; N466-L470 WeakPolarHBondContact O-CG 3.41Å; N466-L470 PolarHBondContact O-N 3.42Å; N466-L470 VanDerWaalsContact O-N 3.11Å |
| 467 | A | 96.8 | Very high | 96.1 | Very high | 41 Ų | 41 | 73 Ų | 73 | 34% | 0.339 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -70.5 | -41.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | C465 Y471 | C465-A467 PolarHBondContact O-N 2.89Å; C465-A467 VanDerWaalsContact O-N 3.11Å; A467-Y471 WeakPolarHBondContact O-CB 3.45Å; A467-Y471 PolarHBondContact O-N 2.79Å |
| 468 | C | 97.3 | Very high | 96.1 | Very high | 5 Ų | 5 | 67.3 Ų | 67.3 | 3% | 0.034 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -71.9 | -44.1 | 179.8 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | N446 C465 L470 Y471 M472 R479 | N446-C468 HydrophobicContact CB-CB 4.32Å; N446-C468 VanDerWaalsContact OD1-CB 3.28Å; N446-C468 WeakPolarHBondContact OD1-CB 3.39Å; N446-C468 PolarHBondContact OD1-SG 3.17Å; C465-C468 PolarHBondContact O-N 2.92Å; C465-C468 VanDerWaalsContact O-N 3.12Å; C465-C468 PolarHBondContact SG-SG 2.8Å; C468-L470 VanDerWaalsContact C-N 3.3Å; C468-L470 PolarHBondContact O-N 3.01Å; C468-Y471 PolarHBondContact O-N 3.11Å; C468-M472 WeakPolarHBondContact O-CB 3.48Å; C468-M472 PolarHBondContact O-N 2.84Å; C468-R479 HydrophobicContact CB-CB 4.47Å |
| 469 | G | 96.9 | Very high | 96.2 | Very high | 15 Ų | 15 | 67.3 Ų | 67.3 | 16% | 0.155 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67.7 | -24.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | C465 K473 | C465-G469 PolarHBondContact O-N 3.48Å; G469-K473 WeakPolarHBondContact O-CB 3.28Å |
| 470 | L | 96.4 | Very high | 96.3 | Very high | 80 Ų | 80 | 65.1 Ų | 65.1 | 42% | 0.419 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -78.6 | -40.2 | 170.1 | -74.8 | 173.2 | 0 | 0 | 0 | 112.3 | N466 C468 K473 L474 | N466-L470 WeakPolarHBondContact ND2-CD1 3.39Å; N466-L470 VanDerWaalsContact O-CB 3.3Å; N466-L470 WeakPolarHBondContact O-CB 3.38Å; N466-L470 WeakPolarHBondContact O-CD1 3.47Å; N466-L470 WeakPolarHBondContact O-CG 3.41Å; N466-L470 PolarHBondContact O-N 3.42Å; N466-L470 VanDerWaalsContact O-N 3.11Å; C468-L470 VanDerWaalsContact C-N 3.3Å; C468-L470 PolarHBondContact O-N 3.01Å; L470-K473 PolarHBondContact O-N 2.96Å; L470-L474 WeakPolarHBondContact O-CB 3.46Å; L470-L474 PolarHBondContact O-N 3.43Å |
| 471 | Y | 97.6 | Very high | 96.3 | Very high | 50 Ų | 50 | 63.7 Ų | 63.7 | 20% | 0.196 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.6 | -48.4 | 178.4 | -173.3 | -85 | 0 | 0 | 0 | 111.5 | A467 C468 K473 L474 H475 V477 P478 R479 P480 M483 | A467-Y471 WeakPolarHBondContact O-CB 3.45Å; A467-Y471 PolarHBondContact O-N 2.79Å; C468-Y471 PolarHBondContact O-N 3.11Å; Y471-K473 VanDerWaalsContact C-N 3.28Å; Y471-K473 PolarHBondContact O-N 3.19Å; Y471-L474 PolarHBondContact O-N 3.19Å; Y471-L474 VanDerWaalsContact O-N 3.09Å; Y471-H475 AromaticContact CD2-CD2 3.45Å; Y471-H475 VanDerWaalsContact CD2-CD2 3.45Å; Y471-H475 WeakPolarHBondContact CD2-CD2 3.49Å; Y471-H475 AromaticContact CD2-NE2 3.89Å; Y471-H475 HydrophobicContact CE1-CB 4.24Å; Y471-H475 AromaticContact CE2-CD2 3.45Å; Y471-H475 VanDerWaalsContact CE2-CD2 3.45Å; Y471-H475 WeakPolarHBondContact CE2-CD2 3.32Å; Y471-H475 AromaticContact CE2-NE2 3.79Å; Y471-H475 AromaticContact CG-CD2 3.77Å; Y471-H475 AromaticContact CZ-CD2 3.76Å; Y471-H475 PolarHBondContact O-CD2 3.24Å; Y471-H475 PolarHBondContact O-N 3.02Å; Y471-V477 VanDerWaalsContact CD1-O 3.32Å; Y471-V477 WeakPolarHBondContact CD1-O 3.45Å; Y471-V477 HydrophobicContact CE1-CG2 4.06Å; Y471-V477 WeakPolarHBondContact CE1-O 3.45Å; Y471-P478 WeakPolarHBondContact CE1-O 3.24Å; Y471-R479 HydrophobicContact CD1-CB 3.68Å; Y471-R479 HydrophobicContact CD1-CG 4.19Å; Y471-R479 HydrophobicContact CD2-CG 4.2Å; Y471-R479 HydrophobicContact CE1-CB 4.28Å; Y471-R479 HydrophobicContact CG-CB 3.82Å; Y471-R479 HydrophobicContact CG-CG 3.95Å; Y471-P480 WeakPolarHBondContact OH-CD 3.47Å; Y471-M483 HydrophobicContact CE2-CE 4.33Å; Y471-M483 HydrophobicContact CE2-SD 3.84Å |
| 472 | M | 96.8 | Very high | 96.3 | Very high | 83 Ų | 83 | 67.4 Ų | 67.4 | 41% | 0.409 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -56.3 | -42.5 | 175.4 | -175 | 67.3 | 91.5 | 0 | 0 | 111.7 | C468 L474 G476 P478 | C468-M472 WeakPolarHBondContact O-CB 3.48Å; C468-M472 PolarHBondContact O-N 2.84Å; M472-L474 VanDerWaalsContact C-N 3.34Å; M472-L474 PolarHBondContact O-N 2.94Å; M472-G476 VanDerWaalsContact O-CA 3.32Å; M472-G476 WeakPolarHBondContact O-CA 3.46Å; M472-G476 PolarHBondContact O-N 2.8Å; M472-P478 HydrophobicContact CE-CB 3.99Å |
| 473 | K | 96.4 | Very high | 96.1 | Very high | 179 Ų | 179 | 68.1 Ų | 68.1 | 78% | 0.778 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -69 | -27.3 | 178.4 | 179 | 161.2 | -67.8 | -150.5 | 0 | 114 | G469 L470 Y471 | G469-K473 WeakPolarHBondContact O-CB 3.28Å; L470-K473 PolarHBondContact O-N 2.96Å; Y471-K473 VanDerWaalsContact C-N 3.28Å; Y471-K473 PolarHBondContact O-N 3.19Å |
| 474 | L | 97.3 | Very high | 96 | Very high | 136 Ų | 136 | 69 Ų | 69 | 71% | 0.712 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -90.5 | -31.9 | -178.5 | -176.5 | 59.8 | 0 | 0 | 0 | 113.1 | L470 Y471 M472 | L470-L474 WeakPolarHBondContact O-CB 3.46Å; L470-L474 PolarHBondContact O-N 3.43Å; Y471-L474 PolarHBondContact O-N 3.19Å; Y471-L474 VanDerWaalsContact O-N 3.09Å; M472-L474 VanDerWaalsContact C-N 3.34Å; M472-L474 PolarHBondContact O-N 2.94Å |
| 475 | H | 96.8 | Very high | 95.7 | Very high | 103 Ų | 103 | 74.8 Ų | 74.8 | 48% | 0.477 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -116.8 | -10.1 | -171.6 | -58.9 | -70.9 | 0 | 0 | 0 | 114.4 | Y471 V477 | Y471-H475 AromaticContact CD2-CD2 3.45Å; Y471-H475 VanDerWaalsContact CD2-CD2 3.45Å; Y471-H475 WeakPolarHBondContact CD2-CD2 3.49Å; Y471-H475 AromaticContact CD2-NE2 3.89Å; Y471-H475 HydrophobicContact CE1-CB 4.24Å; Y471-H475 AromaticContact CE2-CD2 3.45Å; Y471-H475 VanDerWaalsContact CE2-CD2 3.45Å; Y471-H475 WeakPolarHBondContact CE2-CD2 3.32Å; Y471-H475 AromaticContact CE2-NE2 3.79Å; Y471-H475 AromaticContact CG-CD2 3.77Å; Y471-H475 AromaticContact CZ-CD2 3.76Å; Y471-H475 PolarHBondContact O-CD2 3.24Å; Y471-H475 PolarHBondContact O-N 3.02Å; H475-V477 HydrophobicContact CB-CG2 3.79Å; H475-V477 PolarHBondContact O-N 3.45Å |
| 476 | G | 96.2 | Very high | 95.2 | Very high | 62 Ų | 62 | 81.4 Ų | 81.4 | 64% | 0.639 | 45% | 0.445 | S | S | * | . | S | Bend | trans | 71.3 | 1.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | M472 | M472-G476 VanDerWaalsContact O-CA 3.32Å; M472-G476 WeakPolarHBondContact O-CA 3.46Å; M472-G476 PolarHBondContact O-N 2.8Å |
| 477 | V | 96.1 | Very high | 94.7 | Very high | 73 Ų | 73 | 81.8 Ų | 81.8 | 44% | 0.442 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -126.7 | 151.4 | -175.8 | -71.9 | 0 | 0 | 0 | 0 | 111.9 | Y471 H475 | Y471-V477 VanDerWaalsContact CD1-O 3.32Å; Y471-V477 WeakPolarHBondContact CD1-O 3.45Å; Y471-V477 HydrophobicContact CE1-CG2 4.06Å; Y471-V477 WeakPolarHBondContact CE1-O 3.45Å; H475-V477 HydrophobicContact CB-CG2 3.79Å; H475-V477 PolarHBondContact O-N 3.45Å |
| 478 | P | 95.4 | Very high | 94.4 | Very high | 79 Ų | 79 | 83.9 Ų | 83.9 | 51% | 0.513 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 146.8 | 177.2 | 25.1 | -34.7 | 0 | 0 | 0 | 111.7 | Y471 M472 P480 | Y471-P478 WeakPolarHBondContact CE1-O 3.24Å; M472-P478 HydrophobicContact CE-CB 3.99Å; P478-P480 WeakPolarHBondContact O-CD 3.48Å |
| 479 | R | 96.9 | Very high | 94 | Very high | 43 Ų | 43 | 89.6 Ų | 89.6 | 16% | 0.162 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 124 | -179.5 | -175 | 177.8 | 166.6 | -142.4 | 6.5 | 110.1 | N446 C468 Y471 M483 | N446-R479 PolarHBondContact ND2-O 3.19Å; C468-R479 HydrophobicContact CB-CB 4.47Å; Y471-R479 HydrophobicContact CD1-CB 3.68Å; Y471-R479 HydrophobicContact CD1-CG 4.19Å; Y471-R479 HydrophobicContact CD2-CG 4.2Å; Y471-R479 HydrophobicContact CE1-CB 4.28Å; Y471-R479 HydrophobicContact CG-CB 3.82Å; Y471-R479 HydrophobicContact CG-CG 3.95Å; R479-M483 PolarHBondContact NH2-O 3.22Å |
| 480 | P | 96.1 | Very high | 93.4 | Very high | 55 Ų | 55 | 95.3 Ų | 95.3 | 36% | 0.357 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 138.1 | 178.9 | 27 | -33.9 | 0 | 0 | 0 | 110.5 | Y471 P478 A482 M483 | Y471-P480 WeakPolarHBondContact OH-CD 3.47Å; P478-P480 WeakPolarHBondContact O-CD 3.48Å; P480-A482 PolarHBondContact O-N 3.37Å; P480-M483 HydrophobicContact CG-CB 4.42Å; P480-M483 HydrophobicContact CG-CG 3.91Å; P480-M483 HydrophobicContact CG-SD 3.75Å; P480-M483 PolarHBondContact O-N 3.28Å |
| 481 | L | 94.6 | Very high | 92.8 | Very high | 109 Ų | 109 | 101.7 Ų | 101.7 | 57% | 0.571 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -63.3 | -26.6 | -175.9 | -64.6 | 178.9 | 0 | 0 | 0 | 112.9 | N446 C447 M483 K484 | N446-L481 WeakPolarHBondContact O-CD2 3.09Å; C447-L481 HydrophobicContact CB-CD2 4.01Å; L481-M483 PolarHBondContact O-N 3.27Å; L481-M483 VanDerWaalsContact O-N 3.17Å; L481-K484 WeakPolarHBondContact O-CB 3.22Å; L481-K484 PolarHBondContact O-N 3.09Å |
| 482 | A | 93.8 | Very high | 91.6 | Very high | 105 Ų | 105 | 109.3 Ų | 109.3 | 87% | 0.868 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -59.1 | -23.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | P480 | P480-A482 PolarHBondContact O-N 3.37Š|
| 483 | M | 91.2 | Very high | 90.5 | Very high | 108 Ų | 108 | 116.2 Ų | 116.2 | 53% | 0.532 | 60% | 0.595 | S | S | . | * | G | 310 helix | trans | -89.5 | 0.7 | 173.4 | -65 | -177.7 | 82 | 0 | 0 | 113.4 | Y471 R479 P480 L481 | Y471-M483 HydrophobicContact CE2-CE 4.33Å; Y471-M483 HydrophobicContact CE2-SD 3.84Å; R479-M483 PolarHBondContact NH2-O 3.22Å; P480-M483 HydrophobicContact CG-CB 4.42Å; P480-M483 HydrophobicContact CG-CG 3.91Å; P480-M483 HydrophobicContact CG-SD 3.75Å; P480-M483 PolarHBondContact O-N 3.28Å; L481-M483 PolarHBondContact O-N 3.27Å; L481-M483 VanDerWaalsContact O-N 3.17Å |
| 484 | K | 91.9 | Very high | 89.3 | Confident | 75 Ų | 75 | 116.7 Ų | 116.7 | 33% | 0.326 | 60% | 0.597 | S | S | . | * | | | trans | -64.9 | 140.2 | 173.1 | -177.7 | 177.4 | 167.4 | 174.4 | 0 | 109 | C447 L481 E486 | C447-K484 PolarHBondContact O-NZ 3.34Å; C447-K484 VanDerWaalsContact O-NZ 3.16Å; L481-K484 WeakPolarHBondContact O-CB 3.22Å; L481-K484 PolarHBondContact O-N 3.09Å; K484-E486 WeakPolarHBondContact CE-OE2 3.1Å |
| 485 | K | 92 | Very high | 87.9 | Confident | 128 Ų | 128 | 116 Ų | 116 | 56% | 0.557 | 60% | 0.601 | S | S | * | * | | | trans | -125.6 | 136.1 | 167.7 | -178.5 | 168 | -179 | 154.2 | 0 | 108 | Q489 | K485-Q489 HydrophobicContact CD-CG 4.02Š|
| 486 | E | 85.8 | Confident | 86.1 | Confident | 145 Ų | 145 | 120.1 Ų | 120.1 | 68% | 0.678 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -70.3 | -37.5 | -172.9 | -152.8 | 53.2 | -145.5 | 0 | 0 | 112.8 | K484 | K484-E486 WeakPolarHBondContact CE-OE2 3.1Š|
| 487 | G | 87.8 | Confident | 83.8 | Confident | 43 Ų | 43 | 123.3 Ų | 123.3 | 44% | 0.443 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -94.5 | 134.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q489 | G487-Q489 PolarHBondContact O-N 3.14Š|
| 488 | I | 89.4 | Confident | 82 | Confident | 85 Ų | 85 | 126.8 Ų | 126.8 | 44% | 0.436 | 63% | 0.634 | S | S | . | * | | | trans | -63.8 | 114.7 | 168.8 | -62.5 | 177.3 | 0 | 0 | 0 | 109.5 | T453 T490 | T453-I488 HydrophobicContact CG2-CG2 3.68Å; I488-T490 PolarHBondContact O-N 2.76Å |
| 489 | Q | 88.3 | Confident | 79.9 | Confident | 126 Ų | 126 | 128.6 Ų | 128.6 | 59% | 0.589 | 64% | 0.639 | S | S | * | * | | | trans | -72.4 | 119.5 | 176.4 | -61.7 | -171.4 | 8.2 | 0 | 0 | 111.8 | K485 G487 R491 | K485-Q489 HydrophobicContact CD-CG 4.02Å; G487-Q489 PolarHBondContact O-N 3.14Å; Q489-R491 PolarHBondContact O-N 3.24Å |
| 490 | T | 85.7 | Confident | 77.3 | Confident | 134 Ų | 134 | 135.5 Ų | 135.5 | 82% | 0.822 | 67% | 0.67 | S | S | * | * | | | trans | -86.3 | 106.4 | 174.3 | 47.5 | 0 | 0 | 0 | 0 | 111.1 | I488 K492 | I488-T490 PolarHBondContact O-N 2.76Å; T490-K492 PolarHBondContact O-N 3.38Å |
| 491 | R | 83.4 | Confident | 75 | Confident | 214 Ų | 214 | 138.9 Ų | 138.9 | 81% | 0.808 | 70% | 0.695 | S | S | * | * | | | trans | -79.3 | 115.6 | 171.8 | -64.9 | -171.7 | -178 | -170.9 | 0.8 | 109.7 | Q489 R493 | Q489-R491 PolarHBondContact O-N 3.24Å; R491-R493 VanDerWaalsContact C-N 3.27Å; R491-R493 PolarHBondContact O-N 3.48Å |
| 492 | K | 71.9 | Confident | 72.7 | Confident | 211 Ų | 211 | 142 Ų | 142 | 92% | 0.917 | 71% | 0.705 | S | S | * | * | | | trans | -68.8 | 76.6 | -179.8 | -167.2 | 174.7 | -175.5 | 176.1 | 0 | 111.5 | T490 K494 | T490-K492 PolarHBondContact O-N 3.38Å; K492-K494 PolarHBondContact O-N 2.89Å |
| 493 | R | 74.4 | Confident | 69.9 | Low | 228 Ų | 228 | 142.5 Ų | 142.5 | 86% | 0.86 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 124.4 | 174 | -70.6 | -179.7 | 172.2 | -178.7 | -3.3 | 109.1 | R491 | R491-R493 VanDerWaalsContact C-N 3.27Å; R491-R493 PolarHBondContact O-N 3.48Å |
| 494 | K | 71.1 | Confident | 67.5 | Low | 189 Ų | 189 | 143.2 Ų | 143.2 | 82% | 0.822 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 131.9 | 164.8 | -124.6 | 92.9 | 172.5 | -167.6 | 0 | 107.4 | K492 K496 | K492-K494 PolarHBondContact O-N 2.89Å; K494-K496 PolarHBondContact O-N 3.31Å |
| 495 | P | 66.9 | Low | 64.9 | Low | 122 Ų | 122 | 145.4 Ų | 145.4 | 79% | 0.792 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 121.4 | 175.1 | 25.9 | -32.8 | 0 | 0 | 0 | 108.5 | N497 | P495-N497 PolarHBondContact O-N 3.16Š|
| 496 | K | 60.1 | Low | 62.4 | Low | 188 Ų | 188 | 143.1 Ų | 143.1 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | | | trans | -74.3 | 114.5 | 172.7 | -78.2 | -172.5 | 170.7 | -172 | 0 | 107.7 | K494 I498 | K494-K496 PolarHBondContact O-N 3.31Å; K496-I498 PolarHBondContact O-N 2.96Å |
| 497 | N | 47.6 | Very low | 59.9 | Low | 129 Ų | 129 | 144 Ų | 144 | 69% | 0.69 | 76% | 0.758 | S | S | * | * | | | trans | -60.1 | 119.6 | 168.6 | -175.7 | -48 | 0 | 0 | 0 | 107.7 | P495 N499 | P495-N497 PolarHBondContact O-N 3.16Å; N497-N499 WeakPolarHBondContact OD1-CB 3.37Å; N497-N499 PolarHBondContact OD1-N 2.7Å; N497-N499 PolarHBondContact OD1-OD1 3.22Å |
| 498 | I | 57.4 | Low | 57.9 | Low | 146 Ų | 146 | 146.4 Ų | 146.4 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | | | trans | -95.4 | 3.1 | -173 | -86.6 | 167.6 | 0 | 0 | 0 | 111.3 | K496 K500 | K496-I498 PolarHBondContact O-N 2.96Å; I498-K500 PolarHBondContact O-N 2.89Å |
| 499 | N | 51.5 | Low | 55.6 | Low | 117 Ų | 117 | 149.6 Ų | 149.6 | 63% | 0.626 | 79% | 0.786 | S | S | * | * | | | trans | -82.3 | 48 | -168.9 | -47.5 | 18.8 | 0 | 0 | 0 | 112.3 | N497 | N497-N499 WeakPolarHBondContact OD1-CB 3.37Å; N497-N499 PolarHBondContact OD1-N 2.7Å; N497-N499 PolarHBondContact OD1-OD1 3.22Å |
| 500 | K | 43.1 | Very low | 53.2 | Low | 188 Ų | 188 | 151.6 Ų | 151.6 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | | | trans | -150.2 | 48.5 | 176.2 | -145.2 | 76.1 | 176.4 | -171.7 | 0 | 114.8 | I498 K502 | I498-K500 PolarHBondContact O-N 2.89Å; K500-K502 PolarHBondContact O-N 3.17Å; K500-K502 VanDerWaalsContact O-N 3.07Å |
| 501 | S | 46.3 | Very low | 50.9 | Low | 126 Ų | 126 | 150.2 Ų | 150.2 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | | | trans | -71.1 | 89 | 159.5 | 42.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 502 | K | 47.4 | Very low | 49.2 | Very low | 176 Ų | 176 | 146.8 Ų | 146.8 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | | | trans | -150.3 | 117.3 | 166.4 | -164.4 | 162.9 | -173.3 | 175.6 | 0 | 113.6 | K500 | K500-K502 PolarHBondContact O-N 3.17Å; K500-K502 VanDerWaalsContact O-N 3.07Å |
| 503 | T | 34.9 | Very low | 48 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | | | trans | 56.2 | 127.2 | 149.9 | -53.2 | 0 | 0 | 0 | 0 | 119.4 | S505 | T503-S505 PolarHBondContact O-N 3.28Š|
| 504 | C | 40.4 | Very low | 46.5 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | | | trans | -71 | 118.5 | 162.2 | 41.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 505 | S | 38 | Very low | 45 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | | | trans | -159.4 | 138.6 | 156.8 | -89.8 | 0 | 0 | 0 | 0 | 107.1 | T503 | T503-S505 PolarHBondContact O-N 3.28Š|
| 506 | G | 40 | Very low | 44.3 | Very low | 80 Ų | 80 | 137.5 Ų | 137.5 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | trans | -110.4 | 158.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 507 | N | 33.2 | Very low | 43.2 | Very low | 164 Ų | 164 | 135 Ų | 135 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | | | | -153.5 | 157.5 | 128.6 | -157 | 11.2 | 0 | 0 | 0 | 110.2 | | |
| 508 | S | 45.8 | Very low | 42.8 | Very low | 93 Ų | 93 | 134.2 Ų | 134.2 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | | | trans | -85.7 | 150 | 176.1 | -63.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 509 | N | 40.5 | Very low | 41.8 | Very low | 152 Ų | 152 | 134.3 Ų | 134.3 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | | | trans | 162.4 | 104.7 | 132.5 | -81.9 | -13.5 | 0 | 0 | 0 | 111.7 | | |
| 510 | N | 38.5 | Very low | 41 | Very low | 167 Ų | 167 | 133.2 Ų | 133.2 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | | | | -168.2 | 161.6 | 105.1 | -115.9 | -6.8 | 0 | 0 | 0 | 112.4 | | |
| 511 | S | 37.4 | Very low | 40.7 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | | | trans | -85.7 | 154.4 | -170 | 45.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 512 | I | 47.1 | Very low | 40.2 | Very low | 142 Ų | 142 | 130.9 Ų | 130.9 | 73% | 0.728 | 80% | 0.799 | S | S | * | * | | | trans | -90.3 | 145.9 | 166.7 | -60.9 | 163.8 | 0 | 0 | 0 | 108.2 | M514 | I512-M514 HydrophobicContact CG2-CG 3.78Š|
| 513 | P | 46.4 | Very low | 39.6 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | | | trans | -121.7 | 146.8 | 130.8 | 34.9 | -31.1 | 0 | 0 | 0 | 112.2 | | |
| 514 | M | 42.8 | Very low | 39.8 | Very low | 166 Ų | 166 | 129.5 Ų | 129.5 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -115.4 | 130.2 | 176.8 | -78.7 | -88.3 | -167.5 | 0 | 0 | 109.4 | I512 | I512-M514 HydrophobicContact CG2-CG 3.78Š|
| 515 | T | 40.1 | Very low | 39.4 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | | | trans | -148 | 126.5 | 161.2 | 43.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 516 | P | 52.8 | Low | 39.4 | Very low | 126 Ų | 126 | 130.2 Ų | 130.2 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -99.7 | 136.2 | 173.3 | 35.5 | -29.2 | 0 | 0 | 0 | 112 | | |
| 517 | T | 36.6 | Very low | 39.3 | Very low | 136 Ų | 136 | 130.8 Ų | 130.8 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | | | trans | -139.1 | 140.5 | 165.1 | -56.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 518 | S | 38.9 | Very low | 39.4 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | trans | -108.7 | 136.9 | -178.9 | -52.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 519 | T | 35.8 | Very low | 38.9 | Very low | 147 Ų | 147 | 135 Ų | 135 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | | | trans | -151.4 | 152.6 | 153.1 | 2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 520 | S | 34.7 | Very low | 38.6 | Very low | 94 Ų | 94 | 133.4 Ų | 133.4 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | | | trans | -100.5 | 158.4 | -172 | 51.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 521 | S | 38.1 | Very low | 38.4 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | | | trans | -154.1 | 138.6 | 140.2 | -87.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 522 | N | 34.6 | Very low | 39 | Very low | 142 Ų | 142 | 130.9 Ų | 130.9 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | | | trans | -111.9 | 162 | -173.8 | -54.9 | -22.3 | 0 | 0 | 0 | 111.1 | | |
| 523 | S | 34.6 | Very low | 38.2 | Very low | 118 Ų | 118 | 130.1 Ų | 130.1 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | | | trans | -158.8 | 69.5 | 158.4 | 67.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 524 | D | 39.7 | Very low | 37.7 | Very low | 143 Ų | 143 | 130.6 Ų | 130.6 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | | | trans | -76.8 | 169 | 147.1 | -48.5 | -78.8 | 0 | 0 | 0 | 107.7 | | |
| 525 | D | 33 | Very low | 37.4 | Very low | 145 Ų | 145 | 131.1 Ų | 131.1 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | | | cis | -149.4 | -177.8 | 14.4 | -161.7 | -78.4 | 0 | 0 | 0 | 109.8 | | |
| 526 | C | 37 | Very low | 37.9 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | | | trans | -141.6 | 111.1 | 176.1 | 176.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 527 | S | 37.5 | Very low | 36.9 | Very low | 93 Ų | 93 | 129.9 Ų | 129.9 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | | | trans | -165.7 | 133.5 | 161.7 | -97.8 | 0 | 0 | 0 | 0 | 117.7 | | |
| 528 | K | 36.5 | Very low | 36.7 | Very low | 203 Ų | 203 | 127.5 Ų | 127.5 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | | | trans | 79.3 | 163 | 139.4 | -66.7 | 172.9 | -176 | 175.3 | 0 | 120.4 | | |
| 529 | N | 35.2 | Very low | 36.5 | Very low | 143 Ų | 143 | 128.4 Ų | 128.4 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | | | trans | -135.1 | -178.4 | -166.2 | -174.7 | 12.9 | 0 | 0 | 0 | 108.6 | | |
| 530 | T | 32.3 | Very low | 36.4 | Very low | 117 Ų | 117 | 124.8 Ų | 124.8 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | | | trans | 90.6 | 86.7 | 173.2 | 78.6 | 0 | 0 | 0 | 0 | 118.6 | | |
| 531 | S | 35.4 | Very low | 36.5 | Very low | 109 Ų | 109 | 125.9 Ų | 125.9 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | | | | 42.6 | 160.6 | 114.7 | -45.9 | 0 | 0 | 0 | 0 | 122.6 | | |
| 532 | P | 49.9 | Very low | 36.3 | Very low | 111 Ų | 111 | 123.9 Ų | 123.9 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | | | cis | -141.1 | -165.4 | -46 | 41.3 | -23.7 | 0 | 0 | 0 | 113.4 | | |
| 533 | T | 30.3 | Very low | 36.5 | Very low | 127 Ų | 127 | 121.9 Ų | 121.9 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | | | trans | 83 | 137.9 | 171.7 | -23.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 534 | T | 36 | Very low | 37.6 | Very low | 134 Ų | 134 | 121.7 Ų | 121.7 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | | | cis | -143.3 | 171.1 | 23 | -33.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 535 | Q | 36 | Very low | 37.4 | Very low | 177 Ų | 177 | 121 Ų | 121 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | | | trans | -86 | -170.2 | 176.3 | -54.2 | -169.7 | -22.1 | 0 | 0 | 113.8 | | |
| 536 | P | 50.3 | Low | 37.6 | Very low | 100 Ų | 100 | 121.2 Ų | 121.2 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | | | cis | -136.3 | 165.8 | -11.4 | 34.9 | -16 | 0 | 0 | 0 | 117 | | |
| 537 | T | 32.8 | Very low | 37.4 | Very low | 138 Ų | 138 | 122 Ų | 122 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | | | | 174.9 | 147.2 | 118.2 | 27.7 | 0 | 0 | 0 | 0 | 116.4 | | |
| 538 | A | 32.8 | Very low | 37.1 | Very low | 86 Ų | 86 | 120.7 Ų | 120.7 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | | | trans | 63.9 | 117.5 | 147.9 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 539 | S | 34.9 | Very low | 36.8 | Very low | 131 Ų | 131 | 116.2 Ų | 116.2 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | | | trans | 64.3 | 132.7 | 141.9 | -55.2 | 0 | 0 | 0 | 0 | 121.1 | | |
| 540 | G | 32.6 | Very low | 36.5 | Very low | 72 Ų | 72 | 113 Ų | 113 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | | | cis | 170.3 | 171.3 | -6.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 541 | A | 36.3 | Very low | 36.4 | Very low | 117 Ų | 117 | 116.4 Ų | 116.4 | 97% | 0.967 | 80% | 0.795 | S | S | * | * | | | trans | 69 | 142 | 174.9 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 542 | G | 34.4 | Very low | 36.5 | Very low | 82 Ų | 82 | 116.5 Ų | 116.5 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | | | trans | 114.9 | 97.2 | 165 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 543 | A | 39.4 | Very low | 35.8 | Very low | 99 Ų | 99 | 118.2 Ų | 118.2 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -151.7 | 173.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 544 | P | 57.7 | Low | 36 | Very low | 115 Ų | 115 | 118.5 Ų | 118.5 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | | | cis | -130.7 | -173.2 | -2.7 | 38.9 | -20.8 | 0 | 0 | 0 | 113.8 | | |
| 545 | V | 35.4 | Very low | 36.6 | Very low | 127 Ų | 127 | 117.7 Ų | 117.7 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | | | | 173.5 | 129.8 | 120.3 | 153.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 546 | M | 36.4 | Very low | 36.4 | Very low | 151 Ų | 151 | 117.6 Ų | 117.6 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | | | trans | 9.3 | 134.8 | 158.1 | -47.2 | -53.4 | -86.5 | 0 | 0 | 120.2 | | |
| 547 | T | 32.9 | Very low | 35.4 | Very low | 131 Ų | 131 | 120 Ų | 120 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | | 62.2 | 128.7 | 57.4 | -45.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 548 | G | 30.5 | Very low | 35.6 | Very low | 64 Ų | 64 | 118.3 Ų | 118.3 | 66% | 0.66 | 80% | 0.798 | S | S | * | * | | | cis | 159.4 | 169.2 | -5.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 549 | A | 30.8 | Very low | 35.5 | Very low | 110 Ų | 110 | 121.6 Ų | 121.6 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | | | trans | 60.1 | 136.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 550 | G | 30.1 | Very low | 35.5 | Very low | 74 Ų | 74 | 123.7 Ų | 123.7 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | | | trans | 73.3 | 167.6 | 159.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 551 | E | 29.8 | Very low | 35.5 | Very low | 190 Ų | 190 | 127.6 Ų | 127.6 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | | | cis | -154.6 | 172.6 | -30.2 | -169.2 | 147.6 | 103.7 | 0 | 0 | 108.3 | | |
| 552 | S | 37.8 | Very low | 35.1 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | trans | -56.4 | 139.8 | -172.4 | -56.2 | 0 | 0 | 0 | 0 | 115.8 | | |
| 553 | T | 34.4 | Very low | 34.9 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 90% | 0.896 | 79% | 0.787 | S | S | * | * | | | trans | -160 | 145.6 | 147.5 | -1.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 554 | N | 34.5 | Very low | 34.6 | Very low | 134 Ų | 134 | 131.1 Ų | 131.1 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | | | trans | -119.2 | 145.9 | 166.8 | -179.7 | 22.7 | 0 | 0 | 0 | 106.6 | E556 | N554-E556 PolarHBondContact OD1-N 3.1Å; N554-E556 VanDerWaalsContact OD1-N 3.1Å |
| 555 | P | 47.7 | Very low | 33.4 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | | | | -147.3 | 123.1 | 115.9 | 33.6 | -16.1 | 0 | 0 | 0 | 115.8 | | |
| 556 | E | 33.3 | Very low | 33.2 | Very low | 175 Ų | 175 | 135.9 Ų | 135.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | | 37 | 124 | 116.6 | -165.5 | 178.4 | 125.4 | 0 | 0 | 120.3 | N554 | N554-E556 PolarHBondContact OD1-N 3.1Å; N554-E556 VanDerWaalsContact OD1-N 3.1Å |
| 557 | N | 29.6 | Very low | 33 | Very low | 151 Ų | 151 | 131.6 Ų | 131.6 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | | | trans | -158.9 | 155 | 145.8 | -156.5 | -28 | 0 | 0 | 0 | 112.3 | | |
| 558 | S | 35.5 | Very low | 33.4 | Very low | 102 Ų | 102 | 133.8 Ų | 133.8 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | | | trans | 81 | 72.6 | 155.5 | -60.7 | 0 | 0 | 0 | 0 | 118.9 | | |
| 559 | E | 30.8 | Very low | 33.4 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | | | trans | -56.3 | 143.6 | 150.3 | 173.4 | -179 | 158 | 0 | 0 | 112.3 | | |
| 560 | L | 35.1 | Very low | 33.8 | Very low | 176 Ų | 176 | 142.7 Ų | 142.7 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | | | trans | -156.5 | 157.7 | 146.6 | -109.8 | 171.5 | 0 | 0 | 0 | 110.2 | | |
| 561 | K | 32 | Very low | 34 | Very low | 154 Ų | 154 | 142.2 Ų | 142.2 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | | | trans | -145.8 | 151.3 | -141.4 | -176.6 | 176.1 | 175.1 | 172.6 | 0 | 115.4 | | |
| 562 | Y | 29.7 | Very low | 34.1 | Very low | 204 Ų | 204 | 140 Ų | 140 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | | | trans | 104.6 | 119.4 | 148 | -144.6 | -101.2 | 0 | 0 | 0 | 120.8 | | |
| 563 | S | 30.1 | Very low | 33.9 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | trans | 158.2 | 129.1 | 138.4 | -173.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 564 | G | 32.6 | Very low | 33.8 | Very low | 48 Ų | 48 | 141.1 Ų | 141.1 | 50% | 0.495 | 78% | 0.776 | S | S | . | * | | | cis | 159.3 | 139.8 | -4.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 565 | Q | 32.3 | Very low | 33.8 | Very low | 182 Ų | 182 | 139.5 Ų | 139.5 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | | | trans | 72.6 | 117.3 | -177.5 | -57.4 | 175.4 | -8.8 | 0 | 0 | 114.4 | | |
| 566 | D | 30.2 | Very low | 33.1 | Very low | 160 Ų | 160 | 139.1 Ų | 139.1 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | | | | 81 | 129.6 | 51.3 | -63.4 | -48.9 | 0 | 0 | 0 | 112.7 | | |
| 567 | G | 34 | Very low | 33.9 | Very low | 62 Ų | 62 | 136.7 Ų | 136.7 | 64% | 0.639 | 78% | 0.781 | S | S | * | * | | | cis | 175.8 | -168.3 | -2.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 568 | L | 40 | Very low | 34.1 | Very low | 177 Ų | 177 | 133.8 Ų | 133.8 | 93% | 0.927 | 78% | 0.778 | S | S | * | * | | | trans | 73.4 | 142.4 | 177.7 | -46.8 | 176.6 | 0 | 0 | 0 | 116.7 | | |
| 569 | Y | 30.9 | Very low | 33.9 | Very low | 213 Ų | 213 | 137.8 Ų | 137.8 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | | | cis | -155.2 | 178.3 | -24.2 | -174.3 | -106 | 0 | 0 | 0 | 109.5 | | |
| 570 | I | 38.5 | Very low | 34 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | | | trans | -109.1 | 149.5 | -162.8 | -67.8 | 170.7 | 0 | 0 | 0 | 114.3 | | |
| 571 | G | 35 | Very low | 34 | Very low | 64 Ų | 64 | 134.7 Ų | 134.7 | 66% | 0.66 | 78% | 0.784 | S | S | * | * | | | trans | 130.5 | 147 | 150.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 572 | V | 31.1 | Very low | 34.1 | Very low | 143 Ų | 143 | 133 Ų | 133 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | | | cis | -146.5 | 157.1 | -5.8 | 175.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 573 | S | 34 | Very low | 34.2 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | | | trans | -57.9 | 157.8 | -178.3 | -39.9 | 0 | 0 | 0 | 0 | 116.6 | | |
| 574 | L | 33.2 | Very low | 34.4 | Very low | 174 Ų | 174 | 129.4 Ų | 129.4 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | | | trans | -172 | 142.5 | 130.7 | -104.4 | 171 | 0 | 0 | 0 | 114.2 | | |
| 575 | A | 33 | Very low | 34.4 | Very low | 100 Ų | 100 | 137.8 Ų | 137.8 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | | | trans | 64 | 171.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 576 | S | 35 | Very low | 34.5 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | | | trans | -167.6 | 171.1 | -162.8 | 177.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 577 | P | 49.4 | Very low | 34.6 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | | | cis | -116.3 | -174.1 | -33.9 | 35.2 | -20.3 | 0 | 0 | 0 | 111.8 | | |
| 578 | A | 33.4 | Very low | 34.7 | Very low | 90 Ų | 90 | 137.8 Ų | 137.8 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | | | trans | -146.7 | 162.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 579 | E | 31.6 | Very low | 34.4 | Very low | 187 Ų | 187 | 140.8 Ų | 140.8 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | trans | 68.2 | 153.1 | 175.4 | -43.4 | -160 | 147 | 0 | 0 | 115.5 | | |
| 580 | V | 32 | Very low | 34.9 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 74% | 0.739 | 80% | 0.799 | S | S | * | * | | | cis | -131.7 | 143.5 | 12.6 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 581 | T | 34.9 | Very low | 35.1 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | trans | -129.4 | 147.1 | 153 | 56.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 582 | S | 35.1 | Very low | 35.7 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | | | trans | -90.1 | 151.5 | -168.9 | 56.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 583 | S | 31.8 | Very low | 36.2 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | | | trans | -143.4 | 144.5 | 167.3 | -156.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 584 | V | 33.3 | Very low | 36.4 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | | | trans | -92.2 | 139.2 | -174.3 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 585 | R | 34.3 | Very low | 36.7 | Very low | 224 Ų | 224 | 140.5 Ų | 140.5 | 85% | 0.845 | 85% | 0.845 | S | S | * | * | | | trans | -102.8 | 133.9 | 168 | -82.5 | -75 | 177.1 | 136.2 | -2.2 | 110.6 | | |
| 586 | Q | 33.5 | Very low | 36.9 | Very low | 176 Ų | 176 | 142.6 Ų | 142.6 | 82% | 0.822 | 85% | 0.846 | S | S | * | * | | | trans | -145.1 | 92.3 | -174 | -174 | 169.4 | -2.4 | 0 | 0 | 108.5 | | |
| 587 | D | 31.8 | Very low | 37 | Very low | 126 Ų | 126 | 144.3 Ų | 144.3 | 67% | 0.674 | 85% | 0.85 | S | S | * | * | | | trans | -82.1 | 120.8 | -172.8 | -70 | -73.6 | 0 | 0 | 0 | 112.6 | | |
| 588 | S | 36.5 | Very low | 36.3 | Very low | 102 Ų | 102 | 145.5 Ų | 145.5 | 71% | 0.713 | 85% | 0.853 | S | S | * | * | | | trans | -142.9 | 99.2 | 172.2 | 175.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 589 | W | 34.7 | Very low | 36.4 | Very low | 239 Ų | 239 | 148.8 Ų | 148.8 | 91% | 0.905 | 86% | 0.859 | S | S | * | * | | | trans | -94.2 | 106.3 | 174.9 | -76.9 | 70.3 | 0 | 0 | 0 | 110.1 | | |
| 590 | C | 40.9 | Very low | 36.7 | Very low | 118 Ų | 118 | 146.4 Ų | 146.4 | 80% | 0.797 | 86% | 0.858 | S | S | * | * | | | trans | -112.4 | 141.1 | 162.5 | -77.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 591 | A | 43.1 | Very low | 37.1 | Very low | 103 Ų | 103 | 148 Ų | 148 | 85% | 0.851 | 87% | 0.866 | S | S | * | * | | | trans | -84.1 | 151.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 592 | L | 46.8 | Very low | 37.2 | Very low | 176 Ų | 176 | 148.3 Ų | 148.3 | 92% | 0.921 | 87% | 0.865 | S | S | * | * | | | trans | -142.8 | 137.6 | 159.3 | -112.6 | 168.2 | 0 | 0 | 0 | 108.1 | | |
| 593 | A | 41.1 | Very low | 37.4 | Very low | 86 Ų | 86 | 150.6 Ų | 150.6 | 71% | 0.711 | 87% | 0.868 | S | S | * | * | | | trans | -111.3 | 140.3 | 177 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 594 | L | 39.6 | Very low | 37.8 | Very low | 181 Ų | 181 | 152.8 Ų | 152.8 | 95% | 0.948 | 87% | 0.868 | S | S | * | * | | | trans | -179.5 | 97.3 | 158.1 | -104.8 | 160.8 | 0 | 0 | 0 | 110.5 | | |
| 595 | A | 38.4 | Very low | 38.3 | Very low | 179 Ų | 179 | 155.5 Ų | 155.5 | 100% | 1.479 | 88% | 0.879 | S | S | * | * | | | trans | -166.6 | 0 | 157.3 | 0 | 0 | 0 | 0 | 0 | 108 | | |