| 1 | M | 34 | Very low | 34.1 | Very low | 229 Ų | 229 | 155 Ų | 155 | 100% | 1.128 | 84% | 0.843 | S | S | * | * | | | | 0 | 113.4 | 0 | -64.5 | 99.6 | 167.7 | 0 | 0 | 106.8 | | |
| 2 | V | 34.1 | Very low | 34 | Very low | 125 Ų | 125 | 155.3 Ų | 155.3 | 76% | 0.758 | 84% | 0.844 | S | S | * | * | | | | 63.2 | 90.6 | 58.2 | -172.7 | 0 | 0 | 0 | 0 | 108 | | |
| 3 | L | 37.1 | Very low | 34.9 | Very low | 169 Ų | 169 | 152.3 Ų | 152.3 | 89% | 0.885 | 84% | 0.837 | S | S | * | * | | | | 69.7 | 134.9 | 78.8 | -65.8 | 169.5 | 0 | 0 | 0 | 112.4 | | |
| 4 | G | 38.3 | Very low | 34.9 | Very low | 71 Ų | 71 | 155.1 Ų | 155.1 | 73% | 0.732 | 84% | 0.841 | S | S | * | * | | | cis | -177.6 | -173.7 | -0 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 5 | Y | 27.4 | Very low | 34.8 | Very low | 237 Ų | 237 | 152 Ų | 152 | 93% | 0.929 | 84% | 0.836 | S | S | * | * | | | trans | -88.6 | 138.8 | 174.5 | -90.1 | -105.6 | 0 | 0 | 0 | 112.2 | | |
| 6 | S | 36.4 | Very low | 34.6 | Very low | 109 Ų | 109 | 146.8 Ų | 146.8 | 76% | 0.762 | 83% | 0.827 | S | S | * | * | | | trans | -170.9 | 114.5 | 155 | 48.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 7 | Y | 35.2 | Very low | 34.5 | Very low | 227 Ų | 227 | 149.5 Ų | 149.5 | 89% | 0.89 | 83% | 0.828 | S | S | * | * | | | | 94.8 | 140.7 | 63 | -96 | -69.1 | 0 | 0 | 0 | 113.3 | | |
| 8 | S | 30.2 | Very low | 34.6 | Very low | 96 Ų | 96 | 149.7 Ų | 149.7 | 67% | 0.671 | 83% | 0.827 | S | S | * | * | | | trans | -72.8 | 160.3 | -164.5 | -40.8 | 0 | 0 | 0 | 0 | 115.5 | | |
| 9 | L | 37 | Very low | 34.5 | Very low | 174 Ų | 174 | 148.4 Ų | 148.4 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | | | trans | -134.4 | 138.4 | 141.5 | -80 | 178.1 | 0 | 0 | 0 | 109.1 | | |
| 10 | D | 31.5 | Very low | 34.5 | Very low | 144 Ų | 144 | 151.3 Ų | 151.3 | 77% | 0.77 | 82% | 0.823 | S | S | * | * | | | trans | -84.3 | 157.4 | 179.7 | -49.7 | -87.4 | 0 | 0 | 0 | 112.3 | | |
| 11 | C | 34 | Very low | 34.8 | Very low | 124 Ų | 124 | 150 Ų | 150 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | | | | 159 | 123.7 | 129 | -87.6 | 0 | 0 | 0 | 0 | 112 | | |
| 12 | D | 33.2 | Very low | 34.9 | Very low | 159 Ų | 159 | 145 Ų | 145 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | | | trans | -84.4 | -166.1 | 169.8 | -54.8 | -73.8 | 0 | 0 | 0 | 111.4 | | |
| 13 | P | 45.3 | Very low | 34.9 | Very low | 116 Ų | 116 | 145.6 Ų | 145.6 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | | | | -132 | 173 | -95.1 | 40.4 | -23.5 | 0 | 0 | 0 | 114.3 | | |
| 14 | E | 34.3 | Very low | 34.8 | Very low | 191 Ų | 191 | 144.9 Ų | 144.9 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | | | trans | -173.5 | 153.3 | 136.1 | -113.2 | -178.6 | -165.6 | 0 | 0 | 116.4 | | |
| 15 | S | 34.3 | Very low | 35 | Very low | 109 Ų | 109 | 150.2 Ų | 150.2 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | trans | 43.2 | 85.9 | 147.6 | -173.9 | 0 | 0 | 0 | 0 | 122.5 | | |
| 16 | G | 31.2 | Very low | 35.2 | Very low | 68 Ų | 68 | 147.1 Ų | 147.1 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | | | | 83 | 145.9 | 99.3 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 17 | K | 33.2 | Very low | 35.6 | Very low | 193 Ų | 193 | 147.3 Ų | 147.3 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | | | trans | 70.2 | 103.2 | 156.2 | -61.7 | 179.9 | -177.4 | 174.6 | 0 | 119.6 | | |
| 18 | N | 35.9 | Very low | 35.6 | Very low | 153 Ų | 153 | 140.4 Ų | 140.4 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | | 176.2 | 164.8 | 89 | -95.3 | -20.5 | 0 | 0 | 0 | 114.1 | | |
| 19 | N | 32 | Very low | 35.8 | Very low | 126 Ų | 126 | 143.7 Ų | 143.7 | 67% | 0.674 | 78% | 0.783 | S | S | * | * | | | trans | -82.6 | 161.9 | -167 | -53.3 | -19.7 | 0 | 0 | 0 | 115.2 | | |
| 20 | F | 35 | Very low | 35.9 | Very low | 206 Ų | 206 | 140.1 Ų | 140.1 | 90% | 0.904 | 77% | 0.769 | S | S | * | * | | | trans | -131.5 | 133.3 | 151.7 | -99.3 | -113.5 | 0 | 0 | 0 | 104.1 | | |
| 21 | V | 40.8 | Very low | 36.1 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | | | cis | -142.6 | 148.8 | 5.1 | 175.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 22 | D | 36.2 | Very low | 36.3 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 66% | 0.663 | 76% | 0.763 | S | S | * | * | | | trans | -133 | 159.6 | 179 | -54.3 | -100.4 | 0 | 0 | 0 | 109.1 | | |
| 23 | L | 35.4 | Very low | 36.3 | Very low | 137 Ų | 137 | 141.1 Ų | 141.1 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | | | cis | -115.1 | -135.4 | -0.2 | -121.7 | 165.3 | 0 | 0 | 0 | 109.3 | | |
| 24 | E | 34.6 | Very low | 36.1 | Very low | 154 Ų | 154 | 142.1 Ų | 142.1 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | | | cis | -153.8 | -177.1 | 1.2 | -149.8 | 112.8 | -124.8 | 0 | 0 | 106.2 | | |
| 25 | E | 41.6 | Very low | 36.2 | Very low | 183 Ų | 183 | 139.6 Ų | 139.6 | 86% | 0.855 | 75% | 0.754 | S | S | * | * | | | cis | -139.2 | 170.6 | 7.9 | -171.9 | 177.9 | -175.8 | 0 | 0 | 109 | | |
| 26 | F | 32.3 | Very low | 36 | Very low | 173 Ų | 173 | 139.6 Ų | 139.6 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | | | trans | -107.2 | -176.9 | -172.2 | -80.4 | -82.7 | 0 | 0 | 0 | 112.9 | | |
| 27 | P | 45.5 | Very low | 35.8 | Very low | 113 Ų | 113 | 145.9 Ų | 145.9 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | | | cis | -136.1 | -176 | -40.2 | 35.4 | -17.1 | 0 | 0 | 0 | 115.2 | | |
| 28 | A | 35 | Very low | 35.6 | Very low | 81 Ų | 81 | 142.5 Ų | 142.5 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | | | trans | 105.1 | 123.2 | 135.7 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 29 | L | 34.4 | Very low | 35.3 | Very low | 165 Ų | 165 | 138.6 Ų | 138.6 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | | | trans | 67.3 | 137.3 | 146.3 | -61.7 | 170 | 0 | 0 | 0 | 118.6 | | |
| 30 | T | 37.8 | Very low | 35.3 | Very low | 99 Ų | 99 | 138.7 Ų | 138.7 | 61% | 0.607 | 76% | 0.764 | S | S | * | * | | | cis | -150 | 148.3 | 0.7 | 51.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 31 | K | 36.5 | Very low | 35.1 | Very low | 189 Ų | 189 | 133.9 Ų | 133.9 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | | | trans | 55.4 | 146.1 | 141.6 | -64.1 | 165.5 | -174.7 | 175.7 | 0 | 121.3 | | |
| 32 | S | 37.7 | Very low | 34.6 | Very low | 94 Ų | 94 | 138.8 Ų | 138.8 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | | | cis | -177.4 | 135.7 | -24 | 50.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 33 | K | 34.6 | Very low | 34.6 | Very low | 166 Ų | 166 | 141.4 Ų | 141.4 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | | | trans | 69.9 | 154.4 | 158.4 | -66.9 | 174.7 | 169.5 | -173.7 | 0 | 116.4 | I35 | K33-I35 HydrophobicContact CB-CG1 4.34Å; K33-I35 HydrophobicContact CD-CD1 4Å; K33-I35 HydrophobicContact CD-CG1 3.77Å; K33-I35 HydrophobicContact CG-CG1 4.18Å |
| 34 | P | 40.8 | Very low | 34.4 | Very low | 136 Ų | 136 | 141.3 Ų | 141.3 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | | | | -93.7 | -168.7 | 58 | 33.9 | -38.6 | 0 | 0 | 0 | 116.7 | | |
| 35 | I | 35.4 | Very low | 34.3 | Very low | 138 Ų | 138 | 141.9 Ų | 141.9 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | | | trans | -124.9 | 149.2 | -160.7 | -63.8 | 173.9 | 0 | 0 | 0 | 112.1 | K33 | K33-I35 HydrophobicContact CB-CG1 4.34Å; K33-I35 HydrophobicContact CD-CD1 4Å; K33-I35 HydrophobicContact CD-CG1 3.77Å; K33-I35 HydrophobicContact CG-CG1 4.18Å |
| 36 | S | 29.7 | Very low | 33.8 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | | | trans | -103.9 | 175.5 | 179.2 | 60.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 37 | F | 26.9 | Very low | 33.6 | Very low | 199 Ų | 199 | 139.9 Ų | 139.9 | 87% | 0.873 | 76% | 0.763 | S | S | * | * | | | trans | -88.3 | 166.8 | 177.4 | -101.1 | -102.3 | 0 | 0 | 0 | 114.7 | | |
| 38 | S | 29.9 | Very low | 33.1 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | | | trans | 87.1 | 154.3 | 156.8 | 79.9 | 0 | 0 | 0 | 0 | 120.8 | | |
| 39 | G | 29.8 | Very low | 33.4 | Very low | 71 Ų | 71 | 140.4 Ų | 140.4 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | | | trans | 98 | 112.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 40 | V | 31.3 | Very low | 33.4 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | | | cis | 112.6 | 93.5 | 6.4 | -175.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 41 | T | 30.8 | Very low | 33.3 | Very low | 105 Ų | 105 | 140.2 Ų | 140.2 | 64% | 0.644 | 75% | 0.753 | S | S | * | * | | | trans | 77.4 | 127 | 147.7 | 52.3 | 0 | 0 | 0 | 0 | 126.3 | | |
| 42 | W | 30.6 | Very low | 33.1 | Very low | 228 Ų | 228 | 138 Ų | 138 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | | | trans | 95.9 | 95.6 | 134.5 | -64.1 | -6.9 | 0 | 0 | 0 | 124.6 | | |
| 43 | K | 35.2 | Very low | 32.9 | Very low | 178 Ų | 178 | 137.8 Ų | 137.8 | 77% | 0.774 | 75% | 0.749 | S | S | * | * | | | | 77.3 | 129.9 | 122.3 | -82.2 | -173.7 | 172.8 | 176.4 | 0 | 125.1 | | |
| 44 | N | 32.9 | Very low | 32.9 | Very low | 135 Ų | 135 | 136 Ų | 136 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | | | trans | 74 | 147.4 | 146.7 | -64.5 | 15.9 | 0 | 0 | 0 | 118 | | |
| 45 | Q | 32.5 | Very low | 32.5 | Very low | 167 Ų | 167 | 137.3 Ų | 137.3 | 78% | 0.78 | 75% | 0.746 | S | S | * | * | | | cis | -153.1 | 139.8 | 6.5 | -154.1 | 166.9 | -29.8 | 0 | 0 | 114.4 | | |
| 46 | V | 29.7 | Very low | 32.5 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | | | trans | 30.7 | 127.8 | 149 | 179.6 | 0 | 0 | 0 | 0 | 122.3 | | |
| 47 | F | 29.1 | Very low | 32.7 | Very low | 194 Ų | 194 | 139.8 Ų | 139.8 | 85% | 0.851 | 75% | 0.754 | S | S | * | * | | | | -152.7 | 151.4 | 128.6 | -140.1 | -91.4 | 0 | 0 | 0 | 111.6 | | |
| 48 | V | 34.6 | Very low | 33.1 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 66% | 0.655 | 75% | 0.746 | S | S | * | * | | | trans | -143.6 | 134.3 | 178 | 178.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 49 | P | 41.4 | Very low | 33.3 | Very low | 98 Ų | 98 | 134.9 Ų | 134.9 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | | | trans | -138.3 | 169.2 | 132.7 | 39.6 | -27.9 | 0 | 0 | 0 | 111.3 | | |
| 50 | T | 34.3 | Very low | 33.5 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 71% | 0.712 | 74% | 0.743 | S | S | * | * | | | cis | -174.6 | 150.1 | -14.9 | 32.6 | 0 | 0 | 0 | 0 | 106.1 | | |
| 51 | E | 34.7 | Very low | 33.8 | Very low | 143 Ų | 143 | 135.1 Ų | 135.1 | 67% | 0.668 | 74% | 0.741 | S | S | * | * | | | cis | -168.9 | -173.4 | -22.9 | -136.4 | 71 | -84.1 | 0 | 0 | 107.9 | | |
| 52 | D | 33.3 | Very low | 34 | Very low | 144 Ų | 144 | 137.7 Ų | 137.7 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | | | trans | 66.9 | 149.7 | 166.6 | -73.4 | -38.1 | 0 | 0 | 0 | 121.6 | | |
| 53 | S | 32.8 | Very low | 34.1 | Very low | 89 Ų | 89 | 133 Ų | 133 | 62% | 0.622 | 75% | 0.751 | S | S | * | * | | | cis | 179.6 | 138.7 | -33.3 | -100.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 54 | V | 35.3 | Very low | 33.8 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | | | trans | 65.6 | 138.1 | 150.1 | 172 | 0 | 0 | 0 | 0 | 117.5 | | |
| 55 | E | 32.5 | Very low | 33.7 | Very low | 164 Ų | 164 | 131.4 Ų | 131.4 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | | | cis | -157.5 | 166.1 | -4 | -125.8 | 172.1 | 173.7 | 0 | 0 | 110.6 | | |
| 56 | S | 35 | Very low | 33.6 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 74% | 0.741 | 74% | 0.744 | S | S | * | * | | | trans | 46.2 | 157.2 | 153.6 | 61.3 | 0 | 0 | 0 | 0 | 121.9 | | |
| 57 | E | 33.6 | Very low | 33.5 | Very low | 193 Ų | 193 | 128.5 Ų | 128.5 | 90% | 0.902 | 75% | 0.749 | S | S | * | * | | | cis | -145.1 | -173 | 0.2 | -140 | 173.6 | -162.9 | 0 | 0 | 112.9 | | |
| 58 | A | 35.4 | Very low | 33.6 | Very low | 84 Ų | 84 | 128.8 Ų | 128.8 | 69% | 0.694 | 75% | 0.75 | S | S | * | * | | | trans | -85.1 | 155.2 | -158.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 59 | T | 34 | Very low | 33.5 | Very low | 134 Ų | 134 | 132.8 Ų | 132.8 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | | | | 171.3 | 138.7 | 113.6 | -68.7 | 0 | 0 | 0 | 0 | 110 | | |
| 60 | G | 34.4 | Very low | 33 | Very low | 69 Ų | 69 | 138.6 Ų | 138.6 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | trans | -174.9 | -14.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 61 | N | 36.8 | Very low | 32.9 | Very low | 135 Ų | 135 | 144.9 Ų | 144.9 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | | | trans | 76.2 | 136.9 | 163.7 | -54.4 | -19.3 | 0 | 0 | 0 | 120.8 | | |
| 62 | N | 35.9 | Very low | 32.7 | Very low | 159 Ų | 159 | 145.1 Ų | 145.1 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | | | trans | 78.1 | 119 | 154.1 | -60.3 | -13.7 | 0 | 0 | 0 | 119.7 | | |
| 63 | C | 32.5 | Very low | 32.8 | Very low | 129 Ų | 129 | 148.4 Ų | 148.4 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | | | trans | -113.4 | 155.9 | -168.4 | -58.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 64 | L | 28.8 | Very low | 33.1 | Very low | 153 Ų | 153 | 153.1 Ų | 153.1 | 80% | 0.801 | 80% | 0.8 | S | S | * | * | | | trans | -69.2 | 174.1 | 154.3 | -58.1 | 164.7 | 0 | 0 | 0 | 109.3 | | |
| 65 | N | 30.2 | Very low | 33.1 | Very low | 127 Ų | 127 | 155.9 Ų | 155.9 | 68% | 0.679 | 80% | 0.802 | S | S | * | * | | | cis | -168.6 | 156.2 | 14.7 | -138.7 | 1.9 | 0 | 0 | 0 | 113.7 | | |
| 66 | V | 30.9 | Very low | 33.1 | Very low | 109 Ų | 109 | 156.8 Ų | 156.8 | 66% | 0.661 | 80% | 0.803 | S | S | * | * | | | trans | 55.7 | 107.4 | 131.7 | 163.3 | 0 | 0 | 0 | 0 | 123.3 | | |
| 67 | S | 28.6 | Very low | 33.1 | Very low | 116 Ų | 116 | 160.1 Ų | 160.1 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | | | | 68.3 | 177.8 | 112.7 | -47.8 | 0 | 0 | 0 | 0 | 124.7 | | |
| 68 | K | 29.8 | Very low | 33 | Very low | 200 Ų | 200 | 157.4 Ų | 157.4 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | | | trans | -103.3 | 163 | -160.4 | -60.1 | 168.1 | 177.8 | 168.7 | 0 | 114.7 | | |
| 69 | K | 32.4 | Very low | 32.8 | Very low | 193 Ų | 193 | 159 Ų | 159 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | | | trans | 76.9 | 103.6 | 150.5 | -83.1 | -179.6 | 175.8 | 175.8 | 0 | 121.3 | | |
| 70 | R | 31.2 | Very low | 32.8 | Very low | 220 Ų | 220 | 158.7 Ų | 158.7 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | | | | 62.6 | 109.5 | 109 | -170 | -166.8 | -164.2 | -167 | 8.6 | 120 | | |
| 71 | R | 32.1 | Very low | 32.6 | Very low | 248 Ų | 248 | 160.3 Ų | 160.3 | 94% | 0.936 | 79% | 0.789 | S | S | * | * | | | trans | -157.9 | 160 | 136.4 | -121.3 | 171.6 | 179.1 | 169.8 | 0.2 | 114 | | |
| 72 | L | 30.8 | Very low | 32.1 | Very low | 148 Ų | 148 | 159 Ų | 159 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | | | trans | -93.5 | 153.7 | -178.2 | -74.8 | 68.6 | 0 | 0 | 0 | 112.1 | | |
| 73 | K | 36.4 | Very low | 32.1 | Very low | 213 Ų | 213 | 160 Ų | 160 | 93% | 0.926 | 79% | 0.79 | S | S | * | * | | | | -162.8 | 153.3 | 127.4 | -110.3 | 168.1 | -175.9 | -179.6 | 0 | 113.7 | | |
| 74 | K | 38.3 | Very low | 32.1 | Very low | 188 Ų | 188 | 163.3 Ų | 163.3 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | | | trans | -88.8 | 170.2 | 170.7 | -61.8 | 170.2 | 172.3 | 166 | 0 | 108.4 | | |
| 75 | K | 36.4 | Very low | 32.4 | Very low | 186 Ų | 186 | 160.1 Ų | 160.1 | 81% | 0.809 | 78% | 0.783 | S | S | * | * | | | cis | -170.8 | 172.5 | 14 | -144.3 | 173.6 | -176.8 | -175.4 | 0 | 110.7 | | |
| 76 | K | 32 | Very low | 32.8 | Very low | 183 Ų | 183 | 159.1 Ų | 159.1 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | | | trans | 83.8 | 111.7 | 152.4 | -136.3 | 166.5 | -179.4 | -169.8 | 0 | 115.2 | | |
| 77 | K | 34.3 | Very low | 33 | Very low | 175 Ų | 175 | 161 Ų | 161 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | | | | 85.7 | 144.4 | 68.2 | -98.9 | -158.7 | 169.2 | -152.3 | 0 | 113.2 | | |
| 78 | Q | 32.7 | Very low | 33.3 | Very low | 137 Ų | 137 | 162.3 Ų | 162.3 | 64% | 0.64 | 79% | 0.786 | S | S | * | * | | | cis | -172 | 175.1 | -3.8 | -161.2 | -170.5 | -31.6 | 0 | 0 | 110.7 | | |
| 79 | V | 31.2 | Very low | 33.7 | Very low | 116 Ų | 116 | 157 Ų | 157 | 70% | 0.703 | 78% | 0.775 | S | S | * | * | | | trans | 76.5 | 140.1 | 164.3 | -138.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 80 | V | 32.6 | Very low | 33.9 | Very low | 128 Ų | 128 | 153.6 Ų | 153.6 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | cis | -139.9 | 159.5 | 37.3 | 175 | 0 | 0 | 0 | 0 | 114.1 | | |
| 81 | C | 30.4 | Very low | 34.6 | Very low | 104 Ų | 104 | 149.2 Ų | 149.2 | 70% | 0.703 | 78% | 0.775 | S | S | * | * | | | trans | -32.5 | 160.2 | 170.1 | -52.4 | 0 | 0 | 0 | 0 | 118.9 | | |
| 82 | S | 27.4 | Very low | 34.8 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | cis | -164.3 | -135.6 | -19.1 | -88.7 | 0 | 0 | 0 | 0 | 106.8 | | |
| 83 | E | 34.3 | Very low | 34.7 | Very low | 179 Ų | 179 | 145.2 Ų | 145.2 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | | | cis | -154.2 | 152.3 | 3.4 | -67.9 | -176.6 | 122.7 | 0 | 0 | 109.9 | | |
| 84 | E | 32.9 | Very low | 34.5 | Very low | 198 Ų | 198 | 141.4 Ų | 141.4 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | | | trans | 62.5 | 137.4 | 160.5 | -150.3 | 138.7 | -133.2 | 0 | 0 | 119.3 | | |
| 85 | S | 35.2 | Very low | 34 | Very low | 86 Ų | 86 | 142.2 Ų | 142.2 | 60% | 0.601 | 78% | 0.776 | S | S | * | * | | | cis | -145 | 156.8 | 6.7 | 74.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 86 | T | 38.4 | Very low | 33.9 | Very low | 106 Ų | 106 | 141.1 Ų | 141.1 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | | | trans | 45.8 | 115.8 | 145.4 | 57 | 0 | 0 | 0 | 0 | 123 | | |
| 87 | D | 35 | Very low | 34 | Very low | 150 Ų | 150 | 140 Ų | 140 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | | | | 62.4 | 147.9 | 126.8 | -40.8 | -31.7 | 0 | 0 | 0 | 120.7 | | |
| 88 | D | 36.2 | Very low | 33.8 | Very low | 142 Ų | 142 | 136.2 Ų | 136.2 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | | | cis | -150.7 | 161.5 | 5.3 | -155.7 | -22.3 | 0 | 0 | 0 | 112.2 | | |
| 89 | S | 38.1 | Very low | 33.7 | Very low | 90 Ų | 90 | 138.7 Ų | 138.7 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | | | trans | 49.7 | 97.5 | 148.8 | -74.2 | 0 | 0 | 0 | 0 | 122.7 | | |
| 90 | S | 37.1 | Very low | 33.6 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | | | | 54.8 | 149.1 | 111.9 | -62.3 | 0 | 0 | 0 | 0 | 123.2 | | |
| 91 | P | 44.5 | Very low | 33.5 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | | | trans | -107.4 | 158.6 | -157 | 40.5 | -34.9 | 0 | 0 | 0 | 116.8 | | |
| 92 | A | 35.6 | Very low | 33.5 | Very low | 104 Ų | 104 | 142.7 Ų | 142.7 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | | | trans | -121.5 | 158.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 93 | K | 29.6 | Very low | 33.6 | Very low | 208 Ų | 208 | 146.5 Ų | 146.5 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | | | trans | -120.6 | 146.3 | 178.5 | -54.6 | 169 | -175 | 170 | 0 | 109.6 | | |
| 94 | C | 32.8 | Very low | 33.5 | Very low | 134 Ų | 134 | 147.4 Ų | 147.4 | 91% | 0.905 | 80% | 0.799 | S | S | * | * | | | trans | -163.8 | 166.7 | 135 | -111.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 95 | Y | 27.5 | Very low | 33.5 | Very low | 204 Ų | 204 | 144.4 Ų | 144.4 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | | | trans | -91.7 | 159.1 | 174.1 | -83.2 | -116.2 | 0 | 0 | 0 | 110.1 | | |
| 96 | D | 33.9 | Very low | 33.3 | Very low | 164 Ų | 164 | 148.5 Ų | 148.5 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | | | | -163.1 | 179.1 | 110.5 | -114.9 | -35.4 | 0 | 0 | 0 | 114.1 | | |
| 97 | F | 34.1 | Very low | 32.9 | Very low | 158 Ų | 158 | 147.6 Ų | 147.6 | 69% | 0.693 | 80% | 0.801 | S | S | * | * | | | trans | -97.9 | 169.4 | -165.1 | -104.6 | -110.5 | 0 | 0 | 0 | 116.3 | | |
| 98 | C | 30.3 | Very low | 32.8 | Very low | 96 Ų | 96 | 147.4 Ų | 147.4 | 65% | 0.649 | 81% | 0.806 | S | S | * | * | | | trans | -19.9 | 154.9 | 168.8 | -52.1 | 0 | 0 | 0 | 0 | 119 | | |
| 99 | F | 30.2 | Very low | 32.5 | Very low | 190 Ų | 190 | 148.1 Ų | 148.1 | 83% | 0.833 | 81% | 0.809 | S | S | * | * | | | | -162.3 | -178.5 | 58.2 | -121 | -85.7 | 0 | 0 | 0 | 114.7 | | |
| 100 | F | 28.9 | Very low | 32.2 | Very low | 183 Ų | 183 | 147.9 Ų | 147.9 | 80% | 0.803 | 81% | 0.813 | S | S | * | * | | | trans | -62.2 | 150.6 | 174.5 | -75 | -109.1 | 0 | 0 | 0 | 114.5 | | |
| 101 | V | 30.7 | Very low | 32.1 | Very low | 139 Ų | 139 | 149.5 Ų | 149.5 | 84% | 0.842 | 81% | 0.812 | S | S | * | * | | | | -178.2 | 154.7 | 104.5 | 151.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 102 | S | 30.8 | Very low | 31.5 | Very low | 109 Ų | 109 | 151.4 Ų | 151.4 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | | | trans | -82.2 | 141.8 | -176.1 | -38.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 103 | E | 30.1 | Very low | 31.4 | Very low | 189 Ų | 189 | 152.3 Ų | 152.3 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | | | trans | -172.5 | 122 | 139.9 | -113.6 | 176.7 | 172 | 0 | 0 | 111 | | |
| 104 | E | 30.9 | Very low | 31.4 | Very low | 197 Ų | 197 | 147.2 Ų | 147.2 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | | | trans | -145.6 | 117.9 | 157.7 | -81.7 | -159.8 | 149.5 | 0 | 0 | 109.4 | | |
| 105 | V | 33.8 | Very low | 31.2 | Very low | 135 Ų | 135 | 150.6 Ų | 150.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -142.1 | 136.3 | 174.4 | 165.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 106 | E | 30.8 | Very low | 31.4 | Very low | 173 Ų | 173 | 148.8 Ų | 148.8 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | | | trans | 71.9 | 70.2 | 161.7 | -149.3 | 138.1 | -121.1 | 0 | 0 | 119.6 | | |
| 107 | S | 29.2 | Very low | 31.4 | Very low | 87 Ų | 87 | 147.1 Ų | 147.1 | 61% | 0.608 | 78% | 0.783 | S | S | * | * | | | | 52.3 | 136.8 | 123.5 | 74.4 | 0 | 0 | 0 | 0 | 122.5 | | |
| 108 | T | 34.1 | Very low | 31.5 | Very low | 146 Ų | 146 | 145.6 Ų | 145.6 | 90% | 0.896 | 79% | 0.787 | S | S | * | * | | | trans | -129.1 | 143.2 | 132.3 | 42.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 109 | N | 29.8 | Very low | 31.6 | Very low | 156 Ų | 156 | 148.5 Ų | 148.5 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | | | trans | -95.1 | 142.2 | -174.5 | -72.6 | -70.5 | 0 | 0 | 0 | 112.4 | | |
| 110 | A | 31.9 | Very low | 31.4 | Very low | 86 Ų | 86 | 147.7 Ų | 147.7 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | | | trans | -168.6 | 134.3 | 138.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 111 | N | 33.4 | Very low | 31.6 | Very low | 153 Ų | 153 | 148 Ų | 148 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | 69 | 92.3 | 146.1 | -58.2 | -15.2 | 0 | 0 | 0 | 122.1 | | |
| 112 | Q | 32.3 | Very low | 31.6 | Very low | 168 Ų | 168 | 149 Ų | 149 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | 55.7 | 137.6 | 132.7 | -68.3 | -158.4 | -12.8 | 0 | 0 | 122.9 | | |
| 113 | P | 33.7 | Very low | 31.6 | Very low | 123 Ų | 123 | 149.7 Ų | 149.7 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | | | | -110.2 | 155.5 | 122.4 | 36.1 | -31.8 | 0 | 0 | 0 | 111.9 | | |
| 114 | S | 30.9 | Very low | 31.7 | Very low | 102 Ų | 102 | 149.8 Ų | 149.8 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | | | trans | -123.3 | 150.5 | 173 | 54.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 115 | F | 27.5 | Very low | 31.8 | Very low | 205 Ų | 205 | 144.9 Ų | 144.9 | 90% | 0.899 | 76% | 0.763 | S | S | * | * | | | trans | -114 | 149.7 | 176.5 | -89.8 | -90.9 | 0 | 0 | 0 | 110.6 | | |
| 116 | H | 32.2 | Very low | 31.6 | Very low | 165 Ų | 165 | 147.2 Ų | 147.2 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | | | trans | -163.8 | 144.4 | 174.1 | -136 | -85.1 | 0 | 0 | 0 | 107.8 | | |
| 117 | E | 32.8 | Very low | 31.6 | Very low | 130 Ų | 130 | 144.2 Ų | 144.2 | 61% | 0.607 | 76% | 0.763 | S | S | * | * | | | cis | -166.1 | -166.4 | -27.7 | -166.1 | 160 | 96.8 | 0 | 0 | 108.3 | | |
| 118 | T | 36.3 | Very low | 31.7 | Very low | 126 Ų | 126 | 149.1 Ų | 149.1 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | | | trans | 82.8 | 91.9 | 176.4 | 68.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 119 | H | 32.5 | Very low | 31.7 | Very low | 157 Ų | 157 | 147 Ų | 147 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | | 73.3 | 122.9 | 77.3 | -87.7 | -105.3 | 0 | 0 | 0 | 114.3 | | |
| 120 | F | 27.1 | Very low | 31.9 | Very low | 172 Ų | 172 | 147.4 Ų | 147.4 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | | | cis | 89.1 | 102.9 | 39.3 | -97.5 | -76 | 0 | 0 | 0 | 116.4 | | |
| 121 | E | 33.8 | Very low | 31.8 | Very low | 189 Ų | 189 | 147.1 Ų | 147.1 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | | | trans | -167.1 | 140.1 | 130.2 | -103.1 | 178.6 | 152.5 | 0 | 0 | 107.5 | | |
| 122 | F | 29.6 | Very low | 31.8 | Very low | 161 Ų | 161 | 147.9 Ų | 147.9 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | cis | 73 | 135 | 38.3 | -102.8 | -117.1 | 0 | 0 | 0 | 115.3 | | |
| 123 | I | 31.3 | Very low | 31.9 | Very low | 124 Ų | 124 | 145.6 Ų | 145.6 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | | | cis | -166.8 | 179.8 | -27.4 | -143.7 | 171.9 | 0 | 0 | 0 | 109.7 | | |
| 124 | K | 31.6 | Very low | 31.7 | Very low | 191 Ų | 191 | 146 Ų | 146 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | | | trans | 72.9 | 152.8 | 171.4 | -83.7 | 164 | 171.3 | 176.8 | 0 | 117.7 | | |
| 125 | S | 32.5 | Very low | 32 | Very low | 94 Ų | 94 | 149.1 Ų | 149.1 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | | | cis | -173.6 | 143.6 | -24.3 | 49.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 126 | Q | 30.1 | Very low | 32.1 | Very low | 184 Ų | 184 | 142 Ų | 142 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | | | trans | 54.1 | 115.9 | 145.5 | -67 | -174.4 | 7.9 | 0 | 0 | 122.2 | | |
| 127 | S | 31.5 | Very low | 32.2 | Very low | 109 Ų | 109 | 142.1 Ų | 142.1 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | | | | 133.6 | 143.4 | 106.5 | 69.4 | 0 | 0 | 0 | 0 | 119.6 | | |
| 128 | K | 31.6 | Very low | 32.5 | Very low | 191 Ų | 191 | 141.3 Ų | 141.3 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | | | trans | 60.7 | 98.9 | 149.8 | -74.6 | -177 | 175.4 | -177.3 | 0 | 122.9 | | |
| 129 | S | 32.8 | Very low | 32.1 | Very low | 101 Ų | 101 | 143.6 Ų | 143.6 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | | 39.7 | 120.5 | 112.7 | 65.3 | 0 | 0 | 0 | 0 | 122.8 | | |
| 130 | D | 33.8 | Very low | 32.3 | Very low | 164 Ų | 164 | 143.6 Ų | 143.6 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | | | trans | -143.6 | 138.6 | 133.4 | -91.2 | -42.5 | 0 | 0 | 0 | 105.8 | | |
| 131 | A | 31.1 | Very low | 32.5 | Very low | 80 Ų | 80 | 141.3 Ų | 141.3 | 66% | 0.661 | 78% | 0.778 | S | S | * | * | | | cis | 95.8 | 155.5 | 45.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 132 | I | 33.6 | Very low | 32.4 | Very low | 170 Ų | 170 | 136.1 Ų | 136.1 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | | | trans | 79 | 125.5 | -172.9 | -55.3 | 172.1 | 0 | 0 | 0 | 113.4 | | |
| 133 | V | 34.2 | Very low | 32.2 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | cis | -147 | 159.1 | -6 | 103.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 134 | T | 29.9 | Very low | 32.2 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | | | trans | -108.8 | 139.3 | 167.8 | 41.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 135 | N | 36.2 | Very low | 32.4 | Very low | 168 Ų | 168 | 131.3 Ų | 131.3 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | | | trans | -155.6 | 144.8 | 157 | -90.2 | -36.9 | 0 | 0 | 0 | 105 | | |
| 136 | G | 29.9 | Very low | 32.5 | Very low | 55 Ų | 55 | 131.9 Ų | 131.9 | 57% | 0.567 | 78% | 0.783 | S | S | * | * | | | cis | 148.1 | 136.9 | 5.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 137 | N | 35.1 | Very low | 32.6 | Very low | 169 Ų | 169 | 129.7 Ų | 129.7 | 90% | 0.904 | 78% | 0.777 | S | S | * | * | | | trans | 76 | 139.1 | -166.3 | -47.4 | -28.2 | 0 | 0 | 0 | 113.8 | | |
| 138 | S | 37.8 | Very low | 32.8 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | | | cis | -157.8 | 147.7 | -9.3 | 44.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 139 | H | 28.3 | Very low | 33 | Very low | 174 Ų | 174 | 126.7 Ų | 126.7 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | | | trans | -66.1 | 162.7 | 160.5 | -97 | -114.3 | 0 | 0 | 0 | 111.8 | | |
| 140 | L | 36.5 | Very low | 33 | Very low | 157 Ų | 157 | 129 Ų | 129 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | | | trans | 144.2 | 99.4 | 150.9 | -78.4 | 171.2 | 0 | 0 | 0 | 107.5 | | |
| 141 | T | 30.8 | Very low | 33.2 | Very low | 123 Ų | 123 | 125.4 Ų | 125.4 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | | | | 56.9 | 118.5 | 76 | 69.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 142 | G | 31.3 | Very low | 33.2 | Very low | 81 Ų | 81 | 129.7 Ų | 129.7 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | | | trans | 155.7 | 94.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 143 | S | 27 | Very low | 33.1 | Very low | 122 Ų | 122 | 129.7 Ų | 129.7 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | | | trans | -104.5 | 178.8 | -177.8 | -51.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 144 | S | 30.2 | Very low | 33.1 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | | | trans | 81.1 | 147.9 | 174.9 | -141 | 0 | 0 | 0 | 0 | 113.5 | | |
| 145 | I | 36.4 | Very low | 33.1 | Very low | 153 Ų | 153 | 131.7 Ų | 131.7 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | cis | -138.3 | 124.6 | 26.1 | -72 | 163.7 | 0 | 0 | 0 | 106.9 | | |
| 146 | V | 33.7 | Very low | 33 | Very low | 106 Ų | 106 | 131.1 Ų | 131.1 | 64% | 0.642 | 76% | 0.762 | S | S | * | * | | | | 67.1 | 131.4 | 65.2 | 178.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 147 | D | 32.5 | Very low | 33.2 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | | | cis | -127.4 | -177.6 | 17.4 | -112.8 | -51.6 | 0 | 0 | 0 | 110.4 | | |
| 148 | V | 36.5 | Very low | 33.1 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | | | | -160.3 | 121.3 | 52.8 | 166.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 149 | T | 35.4 | Very low | 32.8 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | | | trans | 54.9 | 137 | 155 | 63.3 | 0 | 0 | 0 | 0 | 124.9 | | |
| 150 | N | 31.9 | Very low | 33.2 | Very low | 150 Ų | 150 | 133.4 Ų | 133.4 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | | | trans | 93.9 | 144.7 | 143.2 | -85.7 | 15.5 | 0 | 0 | 0 | 121.7 | | |
| 151 | P | 37.8 | Very low | 32.9 | Very low | 88 Ų | 88 | 134.6 Ų | 134.6 | 57% | 0.571 | 76% | 0.762 | S | S | * | * | | | trans | -143.9 | -149.3 | -133.2 | 42.3 | -18.5 | 0 | 0 | 0 | 114.7 | | |
| 152 | F | 32.1 | Very low | 33.1 | Very low | 170 Ų | 170 | 131.9 Ų | 131.9 | 75% | 0.746 | 76% | 0.758 | S | S | * | * | | | trans | 72.7 | 137.3 | -178.6 | -55.2 | -75.6 | 0 | 0 | 0 | 114.3 | V154 | F152-V154 HydrophobicContact CB-CG2 4.2Å; F152-V154 HydrophobicContact CD1-CG2 3.93Å; F152-V154 HydrophobicContact CG-CG2 4.29Å |
| 153 | L | 31.2 | Very low | 33.1 | Very low | 171 Ų | 171 | 135.7 Ų | 135.7 | 90% | 0.895 | 76% | 0.758 | S | S | * | * | | | cis | 59.8 | 72 | 0.3 | -82.9 | 176.1 | 0 | 0 | 0 | 117.3 | | |
| 154 | V | 35.5 | Very low | 33.5 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 67% | 0.667 | 75% | 0.753 | S | S | * | * | | | trans | -139 | 120.6 | 156 | 162.1 | 0 | 0 | 0 | 0 | 102.9 | F152 | F152-V154 HydrophobicContact CB-CG2 4.2Å; F152-V154 HydrophobicContact CD1-CG2 3.93Å; F152-V154 HydrophobicContact CG-CG2 4.29Å |
| 155 | E | 28.8 | Very low | 33.5 | Very low | 182 Ų | 182 | 139.8 Ų | 139.8 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | | | | 70.3 | 143.5 | 58.6 | -66 | -159.7 | 156.5 | 0 | 0 | 114.5 | | |
| 156 | D | 34.9 | Very low | 33.3 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | | | trans | 61.1 | 83.6 | 169.2 | -129.4 | 27.3 | 0 | 0 | 0 | 119.3 | G158 | D156-G158 PolarHBondContact O-N 3.42Š|
| 157 | E | 34.2 | Very low | 33.1 | Very low | 193 Ų | 193 | 136.6 Ų | 136.6 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | | | trans | -72.3 | 64.9 | 155.9 | -82.9 | -75.5 | 172.9 | 0 | 0 | 110.3 | | |
| 158 | G | 31.8 | Very low | 33.2 | Very low | 57 Ų | 57 | 137 Ų | 137 | 59% | 0.588 | 76% | 0.764 | S | S | * | * | | | trans | -97.5 | 77.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D156 | D156-G158 PolarHBondContact O-N 3.42Š|
| 159 | F | 31.8 | Very low | 33 | Very low | 191 Ų | 191 | 137.7 Ų | 137.7 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | | | trans | -109.4 | 118.7 | 174.9 | -125.1 | -84.4 | 0 | 0 | 0 | 112.5 | | |
| 160 | V | 36.2 | Very low | 32.8 | Very low | 117 Ų | 117 | 140 Ų | 140 | 71% | 0.709 | 77% | 0.766 | S | S | * | * | | | trans | -114.5 | 145.3 | -179.4 | 167 | 0 | 0 | 0 | 0 | 109.8 | | |
| 161 | E | 31.6 | Very low | 32.7 | Very low | 183 Ų | 183 | 141.3 Ų | 141.3 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | | | trans | 15 | 103.2 | 175 | -95.1 | 68.1 | -176.7 | 0 | 0 | 118.5 | | |
| 162 | G | 35.1 | Very low | 32.4 | Very low | 65 Ų | 65 | 142.6 Ų | 142.6 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | | | trans | -135.1 | 25.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 163 | L | 30.9 | Very low | 32.3 | Very low | 161 Ų | 161 | 138.6 Ų | 138.6 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | | | trans | 46.7 | 109.6 | 161.3 | -98.4 | 170.3 | 0 | 0 | 0 | 119.7 | | |
| 164 | I | 34.4 | Very low | 32.2 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | | | | 148.7 | 110.8 | 125.9 | -76.6 | 153.6 | 0 | 0 | 0 | 110.3 | C166 | I164-C166 HydrophobicContact CG2-CB 4.35Š|
| 165 | D | 31.1 | Very low | 31.9 | Very low | 163 Ų | 163 | 137.5 Ų | 137.5 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | | | trans | -135.4 | 123.9 | 153.9 | -160.4 | -4.3 | 0 | 0 | 0 | 106.8 | | |
| 166 | C | 31.2 | Very low | 32 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 72% | 0.716 | 76% | 0.757 | S | S | * | * | | | trans | -146 | 96.9 | -158.7 | -81.6 | 0 | 0 | 0 | 0 | 112.5 | I164 | I164-C166 HydrophobicContact CG2-CB 4.35Š|
| 167 | A | 31.2 | Very low | 32.2 | Very low | 86 Ų | 86 | 135.6 Ų | 135.6 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | | | trans | -141.7 | 86.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 168 | N | 34.4 | Very low | 31.9 | Very low | 148 Ų | 148 | 132 Ų | 132 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | | | | 174.5 | 145.2 | 121.8 | -90.4 | -38.5 | 0 | 0 | 0 | 115.3 | | |
| 169 | N | 31.6 | Very low | 31.7 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | | | trans | 66 | 84 | 147.7 | -58.2 | -15 | 0 | 0 | 0 | 121.3 | | |
| 170 | H | 31.2 | Very low | 31.6 | Very low | 161 Ų | 161 | 132.3 Ų | 132.3 | 75% | 0.745 | 74% | 0.741 | S | S | * | * | | | | 32.5 | 103.1 | 105.1 | -128.6 | -73.9 | 0 | 0 | 0 | 117.8 | | |
| 171 | F | 30.5 | Very low | 31.4 | Very low | 177 Ų | 177 | 131 Ų | 131 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | | | | 170 | 129.6 | 113.1 | -107 | -90.8 | 0 | 0 | 0 | 114.3 | | |
| 172 | V | 31.5 | Very low | 31.5 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 69% | 0.691 | 74% | 0.737 | S | S | * | * | | | trans | 55 | 113.4 | 148.9 | 167.8 | 0 | 0 | 0 | 0 | 121.6 | | |
| 173 | S | 28.8 | Very low | 31.4 | Very low | 87 Ų | 87 | 133.5 Ų | 133.5 | 61% | 0.608 | 75% | 0.746 | S | S | * | * | | | | 29.3 | 151.8 | 123 | -20.6 | 0 | 0 | 0 | 0 | 122.2 | | |
| 174 | H | 29.8 | Very low | 31.4 | Very low | 171 Ų | 171 | 133 Ų | 133 | 79% | 0.792 | 74% | 0.743 | S | S | * | * | | | cis | -156.1 | 153.1 | 19.5 | -102.1 | -62.6 | 0 | 0 | 0 | 113 | | |
| 175 | S | 30 | Very low | 31.3 | Very low | 87 Ų | 87 | 130.8 Ų | 130.8 | 61% | 0.608 | 74% | 0.741 | S | S | * | * | | | trans | 64.1 | 110.9 | 143.1 | -57.5 | 0 | 0 | 0 | 0 | 124 | | |
| 176 | F | 29.3 | Very low | 31.4 | Very low | 195 Ų | 195 | 128.5 Ų | 128.5 | 86% | 0.855 | 74% | 0.737 | S | S | * | * | | | | 46 | 156.2 | 119.8 | -58.3 | -61.4 | 0 | 0 | 0 | 123.5 | | |
| 177 | P | 40.2 | Very low | 31.5 | Very low | 103 Ų | 103 | 127 Ų | 127 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | | | cis | -143.6 | -160.5 | -32 | 40 | -19.4 | 0 | 0 | 0 | 114.9 | | |
| 178 | T | 28.2 | Very low | 31.7 | Very low | 116 Ų | 116 | 129.1 Ų | 129.1 | 71% | 0.712 | 75% | 0.75 | S | S | * | * | | | trans | 83.9 | 109.4 | 151.3 | 35.7 | 0 | 0 | 0 | 0 | 124.1 | | |
| 179 | N | 26.3 | Very low | 31.5 | Very low | 139 Ų | 139 | 128.9 Ų | 128.9 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | | | | 75.4 | 119.4 | 123.4 | -80.4 | 9.6 | 0 | 0 | 0 | 125.9 | | |
| 180 | T | 30.4 | Very low | 31.6 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 71% | 0.712 | 75% | 0.754 | S | S | * | * | | | | 74.7 | 109.3 | 129.3 | 58.8 | 0 | 0 | 0 | 0 | 123.9 | | |
| 181 | S | 32.8 | Very low | 31.6 | Very low | 91 Ų | 91 | 131.8 Ų | 131.8 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | | | | 75 | 120.1 | 123.8 | 70 | 0 | 0 | 0 | 0 | 123.7 | | |
| 182 | N | 31.9 | Very low | 31.7 | Very low | 156 Ų | 156 | 127.7 Ų | 127.7 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | | | trans | 67.3 | 155.5 | 143.9 | -50.4 | -15 | 0 | 0 | 0 | 116.6 | | |
| 183 | V | 33.4 | Very low | 31.9 | Very low | 143 Ų | 143 | 129.9 Ų | 129.9 | 87% | 0.867 | 76% | 0.755 | S | S | * | * | | | cis | -144.8 | 172.5 | 34.1 | 169.2 | 0 | 0 | 0 | 0 | 112 | | |
| 184 | L | 32.3 | Very low | 32 | Very low | 151 Ų | 151 | 134 Ų | 134 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | | | trans | -74.6 | 167 | -175 | -131.6 | 72 | 0 | 0 | 0 | 117.3 | | |
| 185 | S | 31.9 | Very low | 32.5 | Very low | 98 Ų | 98 | 131.3 Ų | 131.3 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | | | trans | 73 | 150.5 | 148.1 | -74.2 | 0 | 0 | 0 | 0 | 120.1 | | |
| 186 | S | 33.6 | Very low | 32.6 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | | | cis | -168.1 | 159.6 | -9.9 | -93.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 187 | G | 31.9 | Very low | 33.2 | Very low | 76 Ų | 76 | 132.2 Ų | 132.2 | 78% | 0.784 | 77% | 0.766 | S | S | * | * | | | trans | 167.7 | 89.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 188 | S | 35.5 | Very low | 32.7 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | | | trans | 68.9 | 166.9 | 147.4 | -147.1 | 0 | 0 | 0 | 0 | 121.9 | | |
| 189 | I | 30.7 | Very low | 32.7 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | | | trans | -144 | 138.3 | -165.7 | -62.7 | 165.2 | 0 | 0 | 0 | 110.3 | | |
| 190 | Q | 34.4 | Very low | 32.7 | Very low | 192 Ų | 192 | 137.2 Ų | 137.2 | 90% | 0.897 | 76% | 0.764 | S | S | * | * | | | trans | -164.1 | 155.7 | 144.6 | -117.2 | 169.9 | -6.9 | 0 | 0 | 114.6 | | |
| 191 | H | 31 | Very low | 32.5 | Very low | 169 Ų | 169 | 136.5 Ų | 136.5 | 78% | 0.782 | 76% | 0.764 | S | S | * | * | | | trans | -86.2 | 179.6 | 174.6 | -60.7 | -120.9 | 0 | 0 | 0 | 110.2 | | |
| 192 | S | 32.3 | Very low | 32.2 | Very low | 90 Ų | 90 | 141.4 Ų | 141.4 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | | | cis | -169.4 | 162 | 19.1 | -145.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 193 | I | 34.8 | Very low | 32 | Very low | 160 Ų | 160 | 140.4 Ų | 140.4 | 82% | 0.821 | 76% | 0.762 | S | S | * | * | | | trans | 72.5 | 154.7 | 150.3 | -69.3 | 155.7 | 0 | 0 | 0 | 119.6 | | |
| 194 | Q | 32 | Very low | 32 | Very low | 174 Ų | 174 | 141.2 Ų | 141.2 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | | | trans | -103.9 | -170.6 | -175 | -44.6 | -177.4 | -2.8 | 0 | 0 | 111.4 | | |
| 195 | P | 39.8 | Very low | 31.8 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | | | cis | -137.7 | -176 | -3.6 | 39.9 | -18.7 | 0 | 0 | 0 | 117.4 | | |
| 196 | K | 32.9 | Very low | 32.2 | Very low | 195 Ų | 195 | 138.6 Ų | 138.6 | 85% | 0.848 | 75% | 0.751 | S | S | * | * | | | trans | -29.2 | 165.4 | 161.2 | -85.4 | 175.6 | -177.9 | 175.6 | 0 | 118.6 | | |
| 197 | P | 40.9 | Very low | 32.2 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 69% | 0.688 | 74% | 0.744 | S | S | * | * | | | cis | -145.1 | -166.3 | -10.3 | 39.1 | -17.2 | 0 | 0 | 0 | 116.7 | | |
| 198 | I | 29 | Very low | 32 | Very low | 155 Ų | 155 | 140.4 Ų | 140.4 | 80% | 0.795 | 75% | 0.746 | S | S | * | * | | | trans | 91.2 | 122.6 | 152.3 | -71.9 | 168.4 | 0 | 0 | 0 | 120.7 | | |
| 199 | Y | 29 | Very low | 31.8 | Very low | 198 Ų | 198 | 138.8 Ų | 138.8 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | | | trans | 75.3 | 160.6 | 158 | -126.5 | -100.5 | 0 | 0 | 0 | 122.8 | | |
| 200 | E | 26.1 | Very low | 31.9 | Very low | 109 Ų | 109 | 138.8 Ų | 138.8 | 51% | 0.509 | 74% | 0.736 | S | S | . | * | | | trans | -84.6 | 166.3 | -157 | -57.1 | -178 | 83.3 | 0 | 0 | 116.5 | R202 | E200-R202 IonicContact OE1-NH2 3.99Š|
| 201 | S | 26.3 | Very low | 31.7 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | | | trans | 79.1 | 156 | 136 | 71.8 | 0 | 0 | 0 | 0 | 119.6 | | |
| 202 | R | 27.4 | Very low | 31.9 | Very low | 193 Ų | 193 | 133.8 Ų | 133.8 | 73% | 0.728 | 73% | 0.73 | S | S | * | * | | | cis | -175.9 | 168.8 | -34 | -153.9 | -175.4 | -62.6 | -150.8 | 0.5 | 106.2 | E200 | E200-R202 IonicContact OE1-NH2 3.99Š|
| 203 | I | 27.4 | Very low | 32.1 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 70% | 0.697 | 74% | 0.736 | S | S | * | * | | | trans | 73.8 | 145.6 | 164.2 | -54.5 | 148.7 | 0 | 0 | 0 | 111.7 | S205 | I203-S205 WeakPolarHBondContact CG2-OG 3.19Š|
| 204 | I | 32.3 | Very low | 32 | Very low | 160 Ų | 160 | 136 Ų | 136 | 82% | 0.821 | 73% | 0.733 | S | S | * | * | | | | -173.2 | 151.7 | 88.1 | -79.7 | 164.8 | 0 | 0 | 0 | 108.1 | | |
| 205 | S | 27.7 | Very low | 32 | Very low | 70 Ų | 70 | 133.2 Ų | 133.2 | 49% | 0.49 | 72% | 0.724 | S | S | . | * | | | cis | -171.2 | 177.2 | -29.2 | -74.6 | 0 | 0 | 0 | 0 | 105.9 | I203 | I203-S205 WeakPolarHBondContact CG2-OG 3.19Š|
| 206 | P | 42.2 | Very low | 31.8 | Very low | 123 Ų | 123 | 136.4 Ų | 136.4 | 80% | 0.799 | 73% | 0.729 | S | S | * | * | | | | -130.7 | 119 | 78 | 7.6 | 16.4 | 0 | 0 | 0 | 112.3 | | |
| 207 | T | 32.5 | Very low | 31.7 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 65% | 0.65 | 73% | 0.725 | S | S | * | * | | | | 79.4 | 117 | 79.5 | 58 | 0 | 0 | 0 | 0 | 117.1 | | |
| 208 | C | 28.8 | Very low | 31.3 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 83% | 0.831 | 73% | 0.73 | S | S | * | * | | | trans | 75.4 | 150 | 150.8 | -59.6 | 0 | 0 | 0 | 0 | 117.7 | | |
| 209 | S | 31 | Very low | 31.5 | Very low | 95 Ų | 95 | 132.2 Ų | 132.2 | 66% | 0.664 | 72% | 0.724 | S | S | * | * | | | cis | -156.3 | 144.1 | 18.3 | -114.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 210 | L | 33.1 | Very low | 31.8 | Very low | 144 Ų | 144 | 131.3 Ų | 131.3 | 75% | 0.754 | 73% | 0.731 | S | S | * | * | | | trans | 60.1 | 167.9 | 150.7 | -81.2 | 84.2 | 0 | 0 | 0 | 119.3 | | |
| 211 | N | 29 | Very low | 32.2 | Very low | 140 Ų | 140 | 129.4 Ų | 129.4 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | | | cis | -166.6 | 169 | -40.2 | -106.9 | -1.5 | 0 | 0 | 0 | 109.5 | | |
| 212 | S | 34.9 | Very low | 32.7 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 81% | 0.811 | 75% | 0.747 | S | S | * | * | | | trans | 68.4 | 143.9 | 170.7 | -89.5 | 0 | 0 | 0 | 0 | 117 | | |
| 213 | T | 36.3 | Very low | 33.1 | Very low | 124 Ų | 124 | 128.4 Ų | 128.4 | 76% | 0.761 | 74% | 0.742 | S | S | * | * | | | cis | -142.3 | 144.4 | -7.8 | 42.3 | 0 | 0 | 0 | 0 | 107.4 | | |
| 214 | K | 34.1 | Very low | 33.6 | Very low | 171 Ų | 171 | 129.9 Ų | 129.9 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | | | cis | 106.8 | 111.7 | 21.8 | -173.5 | 170.2 | 179.6 | 172.9 | 0 | 114 | | |
| 215 | D | 31.2 | Very low | 33.7 | Very low | 117 Ų | 117 | 126.6 Ų | 126.6 | 63% | 0.626 | 74% | 0.737 | S | S | * | * | | | trans | 58.6 | 153.8 | 164.6 | -49.3 | -17.1 | 0 | 0 | 0 | 117.8 | | |
| 216 | Q | 35.9 | Very low | 34.2 | Very low | 181 Ų | 181 | 129.4 Ų | 129.4 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | | | cis | -128.7 | 142.3 | 7.3 | -59.7 | 163.7 | 19.4 | 0 | 0 | 108.9 | | |
| 217 | M | 30.3 | Very low | 34.1 | Very low | 155 Ų | 155 | 128.1 Ų | 128.1 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | | | | 84.1 | 126.3 | 53.1 | -124.3 | -156.2 | -57.8 | 0 | 0 | 116 | | |
| 218 | V | 33.6 | Very low | 34.4 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | | | trans | 88.4 | 138.7 | 154.7 | 178.1 | 0 | 0 | 0 | 0 | 120.8 | | |
| 219 | A | 33.5 | Very low | 34.8 | Very low | 79 Ų | 79 | 129.4 Ų | 129.4 | 65% | 0.653 | 75% | 0.752 | S | S | * | * | | | trans | 86.1 | 108.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 220 | L | 35 | Very low | 34.7 | Very low | 179 Ų | 179 | 133.4 Ų | 133.4 | 94% | 0.937 | 77% | 0.765 | S | S | * | * | | | | 33.2 | 123.4 | 119.9 | -50.8 | 173.7 | 0 | 0 | 0 | 118.5 | | |
| 221 | G | 33.6 | Very low | 34.6 | Very low | 70 Ų | 70 | 136.1 Ų | 136.1 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | | | cis | 158.5 | -169.3 | -2.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 222 | L | 36.9 | Very low | 34.6 | Very low | 159 Ų | 159 | 138.6 Ų | 138.6 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | trans | 69.6 | 107.6 | 166.1 | -61.9 | 172.3 | 0 | 0 | 0 | 119.5 | | |
| 223 | N | 35.8 | Very low | 34.4 | Very low | 115 Ų | 115 | 140.8 Ų | 140.8 | 62% | 0.615 | 77% | 0.773 | S | S | * | * | | | trans | 95.6 | 101.2 | 130.5 | -59.8 | -4.8 | 0 | 0 | 0 | 121.6 | | |
| 224 | H | 38.3 | Very low | 34.3 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | trans | 63.4 | 145.7 | 141.2 | -52.6 | -55.3 | 0 | 0 | 0 | 120.2 | | |
| 225 | S | 35.2 | Very low | 34.6 | Very low | 92 Ų | 92 | 140.1 Ų | 140.1 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | | | cis | -158.2 | 123.5 | -20.2 | -88.8 | 0 | 0 | 0 | 0 | 106.5 | | |
| 226 | V | 38.2 | Very low | 35.4 | Very low | 129 Ų | 129 | 140.2 Ų | 140.2 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | | | | 55.5 | 95.5 | 99.3 | -176.2 | 0 | 0 | 0 | 0 | 115 | | |
| 227 | S | 38.3 | Very low | 35.5 | Very low | 95 Ų | 95 | 138.7 Ų | 138.7 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | | | trans | 58.6 | 129.1 | 134 | -45.3 | 0 | 0 | 0 | 0 | 119.9 | | |
| 228 | N | 39.3 | Very low | 35.7 | Very low | 158 Ų | 158 | 140.2 Ų | 140.2 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | S | Bend | | 44.5 | 118.2 | 73.5 | -75.2 | -15 | 0 | 0 | 0 | 113.4 | | |
| 229 | A | 37.7 | Very low | 35.5 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 63.9 | 91.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 230 | L | 28.2 | Very low | 36 | Very low | 179 Ų | 179 | 141.3 Ų | 141.3 | 94% | 0.937 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 38.6 | 80.2 | 151.6 | -81.6 | 164.2 | 0 | 0 | 0 | 117.7 | | |
| 231 | K | 32 | Very low | 36.1 | Very low | 202 Ų | 202 | 139.2 Ų | 139.2 | 88% | 0.878 | 78% | 0.782 | S | S | * | * | | | trans | -154.9 | 172.7 | 148 | -115.1 | 152.3 | -171.9 | 172.1 | 0 | 113 | | |
| 232 | F | 29.5 | Very low | 36.1 | Very low | 192 Ų | 192 | 143.5 Ų | 143.5 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | | | trans | -92.1 | 161.1 | -159.4 | -73.6 | -116.1 | 0 | 0 | 0 | 114.5 | | |
| 233 | H | 30.4 | Very low | 36 | Very low | 161 Ų | 161 | 141.7 Ų | 141.7 | 75% | 0.745 | 77% | 0.768 | S | S | * | * | | | trans | 80.2 | 108.6 | 153.9 | -90.6 | -82.1 | 0 | 0 | 0 | 122.5 | | |
| 234 | T | 34.2 | Very low | 36.1 | Very low | 126 Ų | 126 | 143.7 Ų | 143.7 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | trans | 74.9 | 139.6 | 135.8 | 46.2 | 0 | 0 | 0 | 0 | 123.5 | | |
| 235 | N | 40.7 | Very low | 35.8 | Very low | 156 Ų | 156 | 141 Ų | 141 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | | | trans | -116.8 | 155.2 | -178.3 | -74.4 | -36.7 | 0 | 0 | 0 | 114.1 | | |
| 236 | P | 47.7 | Very low | 35.8 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | | | trans | -97.3 | 171 | 158.3 | 29.3 | -15.8 | 0 | 0 | 0 | 113.8 | | |
| 237 | I | 37.3 | Very low | 35.5 | Very low | 148 Ų | 148 | 146.8 Ų | 146.8 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | | | trans | -153.7 | 141.7 | -162.8 | -96.6 | 157.7 | 0 | 0 | 0 | 114.3 | | |
| 238 | K | 33.9 | Very low | 35.2 | Very low | 188 Ų | 188 | 149.5 Ų | 149.5 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | | | trans | 125.2 | 135.9 | 162.4 | -78.1 | 154.4 | -176.9 | 173.4 | 0 | 115.1 | | |
| 239 | C | 29.7 | Very low | 34.9 | Very low | 117 Ų | 117 | 148.2 Ų | 148.2 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | | | cis | 80.7 | 139.8 | 13.3 | -44.8 | 0 | 0 | 0 | 0 | 117.6 | | |
| 240 | P | 45.1 | Very low | 34.7 | Very low | 119 Ų | 119 | 153.9 Ų | 153.9 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | | | | -154.6 | 157 | 113.3 | 38.1 | -20.3 | 0 | 0 | 0 | 119.3 | | |
| 241 | V | 36.9 | Very low | 35.1 | Very low | 134 Ų | 134 | 152.1 Ų | 152.1 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | | | trans | 70 | 144.9 | 147.4 | 163.1 | 0 | 0 | 0 | 0 | 118.4 | | |
| 242 | K | 32.6 | Very low | 35.4 | Very low | 160 Ų | 160 | 148 Ų | 148 | 70% | 0.696 | 76% | 0.757 | S | S | * | * | | | cis | -158 | 155.5 | -13 | -112.7 | -168.6 | 167.3 | -171.4 | 0 | 110.1 | | |
| 243 | E | 35.8 | Very low | 35.6 | Very low | 121 Ų | 121 | 145.9 Ų | 145.9 | 57% | 0.565 | 76% | 0.755 | S | S | * | * | | | | 54.1 | 141 | 86.9 | -62.1 | -161.4 | 146.7 | 0 | 0 | 118 | | |
| 244 | K | 37.1 | Very low | 35.7 | Very low | 157 Ų | 157 | 144.7 Ų | 144.7 | 68% | 0.683 | 76% | 0.759 | S | S | * | * | | | cis | -166.9 | 142.7 | 4.8 | -116.8 | 170.8 | 179.1 | 142.8 | 0 | 115 | | |
| 245 | T | 33 | Very low | 35.6 | Very low | 111 Ų | 111 | 147.2 Ų | 147.2 | 68% | 0.681 | 76% | 0.762 | S | S | * | * | | | trans | 49.1 | 125.6 | 141.6 | -12.6 | 0 | 0 | 0 | 0 | 126 | | |
| 246 | L | 33.5 | Very low | 35.3 | Very low | 137 Ų | 137 | 148 Ų | 148 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | | | | 161.7 | 137.2 | 106.9 | -87.7 | 174.4 | 0 | 0 | 0 | 118.1 | | |
| 247 | R | 32.8 | Very low | 34.6 | Very low | 204 Ų | 204 | 150.1 Ų | 150.1 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | | | trans | 67.7 | 121.2 | 147.1 | -69.1 | 172.4 | -178.1 | -177.8 | 0.8 | 123.8 | | |
| 248 | N | 31.5 | Very low | 34.3 | Very low | 152 Ų | 152 | 146.4 Ų | 146.4 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | | | trans | 52.7 | 141.2 | 138.1 | -52.4 | -0.8 | 0 | 0 | 0 | 119.8 | | |
| 249 | V | 33.5 | Very low | 34.2 | Very low | 132 Ų | 132 | 149.3 Ų | 149.3 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | | | cis | -147.8 | 147.7 | 36.4 | 171.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 250 | R | 33.9 | Very low | 34.1 | Very low | 217 Ų | 217 | 149 Ų | 149 | 82% | 0.819 | 76% | 0.757 | S | S | * | * | | | trans | 2.3 | 135.1 | 151 | -126.9 | 174.3 | 177.6 | 85.2 | -0.8 | 117.8 | | |
| 251 | L | 36.6 | Very low | 33.4 | Very low | 142 Ų | 142 | 152.4 Ų | 152.4 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | | | | -158.5 | 153.4 | 70 | -92 | 159.1 | 0 | 0 | 0 | 116.2 | | |
| 252 | T | 38.1 | Very low | 33.1 | Very low | 114 Ų | 114 | 151.5 Ų | 151.5 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | | | trans | 59.7 | 87.3 | 159.6 | 50.9 | 0 | 0 | 0 | 0 | 121.3 | | |
| 253 | N | 33.6 | Very low | 33.5 | Very low | 149 Ų | 149 | 149.4 Ų | 149.4 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | | | | 39.7 | 110.7 | 128 | -50.2 | 7.1 | 0 | 0 | 0 | 118.3 | | |
| 254 | T | 32.4 | Very low | 33.1 | Very low | 136 Ų | 136 | 148.5 Ų | 148.5 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | | | cis | 93.7 | 127.4 | 23.6 | -42.2 | 0 | 0 | 0 | 0 | 115.7 | | |
| 255 | E | 31.4 | Very low | 32.7 | Very low | 178 Ų | 178 | 148.5 Ų | 148.5 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | -92.2 | 161.3 | -177.5 | -47.9 | 154.7 | 106 | 0 | 0 | 113.4 | | |
| 256 | Q | 34.4 | Very low | 32.5 | Very low | 173 Ų | 173 | 150 Ų | 150 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | | | trans | 175.2 | 150.2 | 136 | -95.4 | 154.5 | 42.8 | 0 | 0 | 108.6 | | |
| 257 | H | 32.9 | Very low | 32.5 | Very low | 163 Ų | 163 | 149.4 Ų | 149.4 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | cis | -147 | 133 | 28.3 | -139.8 | -82.6 | 0 | 0 | 0 | 113.9 | | |
| 258 | A | 32 | Very low | 32.1 | Very low | 71 Ų | 71 | 147 Ų | 147 | 59% | 0.587 | 79% | 0.79 | S | S | * | * | | | trans | 44.2 | 118.4 | 146.5 | 0 | 0 | 0 | 0 | 0 | 123.9 | | |
| 259 | R | 31.8 | Very low | 32.1 | Very low | 248 Ų | 248 | 147.7 Ų | 147.7 | 94% | 0.936 | 79% | 0.791 | S | S | * | * | | | trans | 82.3 | 115.7 | 130 | -70 | 178 | 175.1 | 178.1 | -2.3 | 120.8 | | |
| 260 | S | 27.8 | Very low | 31.9 | Very low | 110 Ų | 110 | 151.2 Ų | 151.2 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | trans | -82.2 | 162 | 157.8 | 49.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 261 | M | 30.1 | Very low | 31.8 | Very low | 192 Ų | 192 | 147.7 Ų | 147.7 | 95% | 0.946 | 79% | 0.788 | S | S | * | * | | | trans | -160 | 162.1 | 135.1 | -103.4 | 174.7 | 80.6 | 0 | 0 | 109.4 | | |
| 262 | S | 29.9 | Very low | 31.5 | Very low | 114 Ų | 114 | 146.9 Ų | 146.9 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | | | trans | -115.7 | 171.1 | -153.2 | -49.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 263 | P | 40.8 | Very low | 31.2 | Very low | 117 Ų | 117 | 145.7 Ų | 145.7 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | | | trans | -96.2 | 158.6 | -156.8 | 37.5 | -37.1 | 0 | 0 | 0 | 116.1 | | |
| 264 | S | 27.7 | Very low | 31.2 | Very low | 101 Ų | 101 | 147.1 Ų | 147.1 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | | | trans | 175 | 158.4 | 140.5 | -78.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 265 | N | 29.2 | Very low | 31.2 | Very low | 158 Ų | 158 | 146.2 Ų | 146.2 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | | | trans | 70.6 | 159.5 | 173.7 | -52.2 | -46.1 | 0 | 0 | 0 | 115.3 | | |
| 266 | L | 27.9 | Very low | 31.5 | Very low | 142 Ų | 142 | 144.6 Ų | 144.6 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | | | cis | -177.2 | 158.4 | -26.7 | -176.3 | 89.6 | 0 | 0 | 0 | 105.5 | | |
| 267 | T | 33.2 | Very low | 31.4 | Very low | 125 Ų | 125 | 142.5 Ų | 142.5 | 77% | 0.767 | 78% | 0.777 | S | S | * | * | | | trans | 61.5 | 118.2 | 164.9 | 38.2 | 0 | 0 | 0 | 0 | 118.9 | | |
| 268 | D | 25.6 | Very low | 31.5 | Very low | 154 Ų | 154 | 142.5 Ų | 142.5 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | | | trans | -64.3 | 147.7 | 154.6 | -56.8 | -85 | 0 | 0 | 0 | 112.1 | | |
| 269 | I | 31.2 | Very low | 31.6 | Very low | 165 Ų | 165 | 146.3 Ų | 146.3 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | | | trans | -162.4 | 105.7 | 134.7 | -102.4 | 153.9 | 0 | 0 | 0 | 110.4 | | |
| 270 | Y | 29.3 | Very low | 32.1 | Very low | 206 Ų | 206 | 140.8 Ų | 140.8 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | | | trans | 49.9 | 130.4 | 132.1 | -110.4 | -129.4 | 0 | 0 | 0 | 123 | | |
| 271 | L | 31.5 | Very low | 32.5 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | | | trans | 81.6 | 103.8 | 152.6 | -55.7 | 174 | 0 | 0 | 0 | 120.4 | | |
| 272 | S | 30.8 | Very low | 32.9 | Very low | 126 Ų | 126 | 140.5 Ų | 140.5 | 88% | 0.881 | 77% | 0.768 | S | S | * | * | | | | -153.9 | 131 | 104.7 | -168.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 273 | S | 32.2 | Very low | 33.1 | Very low | 88 Ų | 88 | 141.7 Ų | 141.7 | 62% | 0.615 | 77% | 0.766 | S | S | * | * | | | trans | -113 | 141.4 | -177.2 | -56.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 274 | K | 33.6 | Very low | 33.1 | Very low | 180 Ų | 180 | 143.9 Ų | 143.9 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | | | trans | -158.8 | 90 | 150.7 | -134.8 | 127.4 | -169.4 | 172.8 | 0 | 109.6 | | |
| 275 | D | 32.9 | Very low | 34 | Very low | 116 Ų | 116 | 145.3 Ų | 145.3 | 62% | 0.62 | 77% | 0.768 | S | S | * | * | | | | 79.2 | 87.3 | 81.4 | -65.1 | -11.7 | 0 | 0 | 0 | 113.2 | | |
| 276 | T | 37.6 | Very low | 34.7 | Very low | 145 Ų | 145 | 147 Ų | 147 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | | | trans | -129.8 | 114.6 | 135.5 | 48.6 | 0 | 0 | 0 | 0 | 107.5 | | |
| 277 | N | 31.6 | Very low | 35.7 | Very low | 128 Ų | 128 | 143.3 Ų | 143.3 | 68% | 0.684 | 77% | 0.767 | S | S | * | * | | | trans | -74.1 | 136.5 | 177.3 | -48.6 | -90.1 | 0 | 0 | 0 | 109.9 | | |
| 278 | D | 34.8 | Very low | 36.7 | Very low | 164 Ų | 164 | 141.5 Ų | 141.5 | 88% | 0.877 | 76% | 0.756 | S | S | * | * | | | trans | -130.9 | 125.9 | 131.8 | -87.7 | -48.2 | 0 | 0 | 0 | 106.5 | | |
| 279 | L | 34.2 | Very low | 38.4 | Very low | 151 Ų | 151 | 140.1 Ų | 140.1 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | | | trans | -96.9 | 118.7 | 177.3 | -77.8 | 164.1 | 0 | 0 | 0 | 108 | | |
| 280 | I | 43.3 | Very low | 40.2 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 68% | 0.677 | 74% | 0.737 | S | S | * | * | | | trans | -119.4 | 128.6 | 160.6 | -61.8 | 179.3 | 0 | 0 | 0 | 105.5 | E282 | I280-E282 HydrophobicContact CG2-CG 4.3Å; I280-E282 PolarHBondContact O-N 3.48Å |
| 281 | D | 34.4 | Very low | 42.2 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | | | trans | -78.1 | 100.7 | 179.6 | -55.7 | -61.3 | 0 | 0 | 0 | 108.8 | | |
| 282 | E | 38.7 | Very low | 43.9 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | | | trans | -99.8 | 53.5 | 177.5 | -66 | -71.8 | 163.4 | 0 | 0 | 111 | I280 | I280-E282 HydrophobicContact CG2-CG 4.3Å; I280-E282 PolarHBondContact O-N 3.48Å |
| 283 | D | 35.6 | Very low | 45.9 | Very low | 140 Ų | 140 | 131.8 Ų | 131.8 | 75% | 0.749 | 71% | 0.705 | S | S | * | * | | | trans | -84.6 | 153.9 | 155.6 | -76 | -47.5 | 0 | 0 | 0 | 108.6 | | |
| 284 | D | 40.2 | Very low | 48.1 | Very low | 162 Ų | 162 | 132 Ų | 132 | 87% | 0.866 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 78.6 | 46.5 | 173.4 | -61.9 | -24.1 | 0 | 0 | 0 | 120.5 | | |
| 285 | M | 46 | Very low | 50.1 | Low | 131 Ų | 131 | 126 Ų | 126 | 65% | 0.645 | 68% | 0.679 | S | S | * | * | | | trans | -132.7 | -7.9 | 166.4 | -83 | -57.3 | -56.1 | 0 | 0 | 119.5 | G287 | M285-G287 PolarHBondContact O-N 3.36Š|
| 286 | E | 44.9 | Very low | 51.9 | Low | 194 Ų | 194 | 124.6 Ų | 124.6 | 91% | 0.907 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -2.9 | -177.1 | -68.1 | -166.7 | 139.2 | 0 | 0 | 115.6 | | |
| 287 | G | 48.3 | Very low | 53.8 | Low | 64 Ų | 64 | 119.3 Ų | 119.3 | 66% | 0.66 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -22.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | M285 | M285-G287 PolarHBondContact O-N 3.36Š|
| 288 | T | 54.2 | Low | 56 | Low | 87 Ų | 87 | 117.5 Ų | 117.5 | 53% | 0.534 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.5 | -32.5 | -171 | 42.2 | 0 | 0 | 0 | 0 | 114.8 | L290 L291 H292 | T288-L290 PolarHBondContact O-N 3.02Å; T288-L291 PolarHBondContact O-N 3.08Å; T288-H292 PolarHBondContact O-N 3.18Å; T288-H292 VanDerWaalsContact O-N 3.09Å |
| 289 | D | 60.3 | Low | 57.7 | Low | 125 Ų | 125 | 114 Ų | 114 | 67% | 0.668 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -70.7 | -36.6 | -165.9 | -151.5 | 32.2 | 0 | 0 | 0 | 112.3 | L291 H292 L293 | D289-L291 PolarHBondContact O-N 3.02Å; D289-H292 PolarHBondContact O-N 2.92Å; D289-L293 WeakPolarHBondContact O-CB 3.37Å; D289-L293 PolarHBondContact O-N 2.8Å |
| 290 | L | 69.4 | Low | 59.4 | Low | 116 Ų | 116 | 114.2 Ų | 114.2 | 61% | 0.607 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62.9 | -39.7 | 175.2 | -175.3 | 63.4 | 0 | 0 | 0 | 112.6 | T288 I294 | T288-L290 PolarHBondContact O-N 3.02Å; L290-I294 HydrophobicContact CD1-CD1 4.32Å; L290-I294 HydrophobicContact CG-CD1 4.02Å; L290-I294 WeakPolarHBondContact O-CB 3.48Å; L290-I294 WeakPolarHBondContact O-CD1 3.36Å; L290-I294 WeakPolarHBondContact O-CG1 3.48Å; L290-I294 PolarHBondContact O-N 3.2Å |
| 291 | L | 71.8 | Confident | 61 | Low | 124 Ų | 124 | 112 Ų | 112 | 65% | 0.649 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69.1 | -36.5 | 175.2 | -73.5 | 176.1 | 0 | 0 | 0 | 111.5 | T288 D289 I294 S295 | T288-L291 PolarHBondContact O-N 3.08Å; D289-L291 PolarHBondContact O-N 3.02Å; L291-I294 PolarHBondContact O-N 2.96Å; L291-S295 PolarHBondContact O-N 3.1Å |
| 292 | H | 67.3 | Low | 62.5 | Low | 118 Ų | 118 | 108.2 Ų | 108.2 | 55% | 0.546 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.3 | -37 | 177.8 | -144.1 | -27.9 | 0 | 0 | 0 | 112 | T288 D289 N296 | T288-H292 PolarHBondContact O-N 3.18Å; T288-H292 VanDerWaalsContact O-N 3.09Å; D289-H292 PolarHBondContact O-N 2.92Å; H292-N296 WeakPolarHBondContact O-CB 3.47Å; H292-N296 PolarHBondContact O-N 3.36Å; H292-N296 PolarHBondContact O-ND2 2.98Å |
| 293 | L | 72.7 | Confident | 64 | Low | 107 Ų | 107 | 104.2 Ų | 104.2 | 56% | 0.56 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.6 | -45.6 | 172.4 | -174.4 | 63.4 | 0 | 0 | 0 | 111.7 | D289 S295 N296 S297 | D289-L293 WeakPolarHBondContact O-CB 3.37Å; D289-L293 PolarHBondContact O-N 2.8Å; L293-S295 PolarHBondContact O-N 3.44Å; L293-N296 PolarHBondContact O-N 3.17Å; L293-S297 PolarHBondContact O-N 3.21Å; L293-S297 PolarHBondContact O-OG 3.3Å |
| 294 | I | 78.7 | Confident | 65.7 | Low | 93 Ų | 93 | 102.2 Ų | 102.2 | 48% | 0.477 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 175 | -71.2 | 165.1 | 0 | 0 | 0 | 110.9 | L290 L291 S297 L298 | L290-I294 HydrophobicContact CD1-CD1 4.32Å; L290-I294 HydrophobicContact CG-CD1 4.02Å; L290-I294 WeakPolarHBondContact O-CB 3.48Å; L290-I294 WeakPolarHBondContact O-CD1 3.36Å; L290-I294 WeakPolarHBondContact O-CG1 3.48Å; L290-I294 PolarHBondContact O-N 3.2Å; L291-I294 PolarHBondContact O-N 2.96Å; I294-S297 PolarHBondContact O-N 3.38Å; I294-L298 VanDerWaalsContact O-CB 3.28Å; I294-L298 WeakPolarHBondContact O-CB 3.44Å; I294-L298 PolarHBondContact O-N 3.48Å |
| 295 | S | 74.8 | Confident | 66.8 | Low | 54 Ų | 54 | 97.7 Ų | 97.7 | 38% | 0.378 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.6 | -49.8 | 175.5 | -163.1 | 0 | 0 | 0 | 0 | 111.3 | L291 L293 S297 L298 D299 | L291-S295 PolarHBondContact O-N 3.1Å; L293-S295 PolarHBondContact O-N 3.44Å; S295-S297 VanDerWaalsContact C-N 3.3Å; S295-S297 PolarHBondContact O-N 3.2Å; S295-L298 CarbonylContact O-C 3.6Å; S295-L298 PolarHBondContact O-N 3.48Å; S295-L298 VanDerWaalsContact O-N 3.11Å; S295-D299 WeakPolarHBondContact O-CB 3.34Å; S295-D299 PolarHBondContact O-N 3.23Å; S295-D299 VanDerWaalsContact O-OD2 3.08Å; S295-D299 PolarHBondContact OG-OD2 2.79Å |
| 296 | N | 70.9 | Confident | 67.3 | Low | 86 Ų | 86 | 97.8 Ų | 97.8 | 46% | 0.46 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.9 | -40.1 | 179.1 | -78.2 | -30.6 | 0 | 0 | 0 | 112.4 | H292 L293 R300 | H292-N296 WeakPolarHBondContact O-CB 3.47Å; H292-N296 PolarHBondContact O-N 3.36Å; H292-N296 PolarHBondContact O-ND2 2.98Å; L293-N296 PolarHBondContact O-N 3.17Å; N296-R300 WeakPolarHBondContact O-CB 3.37Å; N296-R300 VanDerWaalsContact O-CG 3.23Å; N296-R300 WeakPolarHBondContact O-CG 3.45Å; N296-R300 PolarHBondContact O-N 3.19Å |
| 297 | S | 77.3 | Confident | 67.3 | Low | 34 Ų | 34 | 92.8 Ų | 92.8 | 24% | 0.238 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -69.2 | -39.1 | 175.4 | -69.4 | 0 | 0 | 0 | 0 | 112.5 | L293 I294 S295 R300 F301 | L293-S297 PolarHBondContact O-N 3.21Å; L293-S297 PolarHBondContact O-OG 3.3Å; I294-S297 PolarHBondContact O-N 3.38Å; S295-S297 VanDerWaalsContact C-N 3.3Å; S295-S297 PolarHBondContact O-N 3.2Å; S297-R300 PolarHBondContact O-N 3.46Å; S297-F301 WeakPolarHBondContact O-CB 3.5Å; S297-F301 PolarHBondContact O-N 3.08Å |
| 298 | L | 77.7 | Confident | 66.9 | Low | 91 Ų | 91 | 100.2 Ų | 100.2 | 48% | 0.476 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.1 | -39.4 | 176.3 | -176.6 | 60.6 | 0 | 0 | 0 | 112.1 | I294 S295 F301 N302 | I294-L298 VanDerWaalsContact O-CB 3.28Å; I294-L298 WeakPolarHBondContact O-CB 3.44Å; I294-L298 PolarHBondContact O-N 3.48Å; S295-L298 CarbonylContact O-C 3.6Å; S295-L298 PolarHBondContact O-N 3.48Å; S295-L298 VanDerWaalsContact O-N 3.11Å; L298-F301 PolarHBondContact O-N 3.36Å; L298-N302 WeakPolarHBondContact O-CB 3.31Å; L298-N302 PolarHBondContact O-N 3.21Å; L298-N302 PolarHBondContact O-ND2 3.39Å |
| 299 | D | 70.9 | Confident | 66 | Low | 89 Ų | 89 | 102.8 Ų | 102.8 | 48% | 0.476 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.4 | -38.7 | 175.9 | -73.2 | -46.8 | 0 | 0 | 0 | 111.6 | S295 A303 | S295-D299 WeakPolarHBondContact O-CB 3.34Å; S295-D299 PolarHBondContact O-N 3.23Å; S295-D299 VanDerWaalsContact O-OD2 3.08Å; S295-D299 PolarHBondContact OG-OD2 2.79Å; D299-A303 WeakPolarHBondContact O-CB 3.35Å; D299-A303 PolarHBondContact O-N 2.93Å |
| 300 | R | 71 | Confident | 65 | Low | 156 Ų | 156 | 102.3 Ų | 102.3 | 59% | 0.589 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.5 | -40.9 | 171.1 | -71.2 | 175.8 | 84.3 | -130.3 | 2 | 111.8 | N296 S297 A303 I304 | N296-R300 WeakPolarHBondContact O-CB 3.37Å; N296-R300 VanDerWaalsContact O-CG 3.23Å; N296-R300 WeakPolarHBondContact O-CG 3.45Å; N296-R300 PolarHBondContact O-N 3.19Å; S297-R300 PolarHBondContact O-N 3.46Å; R300-A303 PolarHBondContact O-N 3.33Å; R300-I304 WeakPolarHBondContact O-CD1 3.41Å; R300-I304 WeakPolarHBondContact O-CG1 3.49Å; R300-I304 PolarHBondContact O-N 2.67Å |
| 301 | F | 75.4 | Confident | 63.2 | Low | 87 Ų | 87 | 104.1 Ų | 104.1 | 38% | 0.382 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 174.9 | -179.5 | -99.4 | 0 | 0 | 0 | 111.8 | S297 L298 A303 I304 V305 L523 | S297-F301 WeakPolarHBondContact O-CB 3.5Å; S297-F301 PolarHBondContact O-N 3.08Å; L298-F301 PolarHBondContact O-N 3.36Å; F301-A303 VanDerWaalsContact C-N 3.3Å; F301-A303 PolarHBondContact O-N 3.05Å; F301-I304 WeakPolarHBondContact O-CB 3.46Å; F301-I304 PolarHBondContact O-N 2.99Å; F301-V305 HydrophobicContact CD1-CG2 4.13Å; F301-V305 HydrophobicContact CD2-CG2 4.33Å; F301-V305 HydrophobicContact CE1-CG2 3.73Å; F301-V305 HydrophobicContact CE2-CG2 3.94Å; F301-V305 HydrophobicContact CG-CG2 4.42Å; F301-V305 HydrophobicContact CZ-CG2 3.64Å; F301-V305 WeakPolarHBondContact O-CG2 3.46Å; F301-V305 PolarHBondContact O-N 3.02Å; F301-L523 HydrophobicContact CD2-CD2 4.2Å; F301-L523 HydrophobicContact CE2-CD2 3.75Å |
| 302 | N | 67.5 | Low | 61.2 | Low | 63 Ų | 63 | 102.9 Ų | 102.9 | 34% | 0.337 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.8 | -37 | 176 | -72.8 | -26.8 | 0 | 0 | 0 | 112 | L298 I304 H306 | L298-N302 WeakPolarHBondContact O-CB 3.31Å; L298-N302 PolarHBondContact O-N 3.21Å; L298-N302 PolarHBondContact O-ND2 3.39Å; N302-I304 VanDerWaalsContact C-N 3.27Å; N302-I304 PolarHBondContact O-N 3.24Å; N302-H306 WeakPolarHBondContact O-CA 3.26Å; N302-H306 WeakPolarHBondContact O-CB 3.14Å; N302-H306 PolarHBondContact O-N 3.3Å |
| 303 | A | 70 | Confident | 59.4 | Low | 68 Ų | 68 | 103.1 Ų | 103.1 | 56% | 0.562 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.5 | -22 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114 | D299 R300 F301 | D299-A303 WeakPolarHBondContact O-CB 3.35Å; D299-A303 PolarHBondContact O-N 2.93Å; R300-A303 PolarHBondContact O-N 3.33Å; F301-A303 VanDerWaalsContact C-N 3.3Å; F301-A303 PolarHBondContact O-N 3.05Å |
| 304 | I | 70.7 | Confident | 57.3 | Low | 97 Ų | 97 | 106.2 Ų | 106.2 | 50% | 0.497 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -87.3 | -41.4 | 175.8 | -66.7 | 163.1 | 0 | 0 | 0 | 111.1 | R300 F301 N302 | R300-I304 WeakPolarHBondContact O-CD1 3.41Å; R300-I304 WeakPolarHBondContact O-CG1 3.49Å; R300-I304 PolarHBondContact O-N 2.67Å; F301-I304 WeakPolarHBondContact O-CB 3.46Å; F301-I304 PolarHBondContact O-N 2.99Å; N302-I304 VanDerWaalsContact C-N 3.27Å; N302-I304 PolarHBondContact O-N 3.24Å |
| 305 | V | 62.5 | Low | 55.1 | Low | 68 Ų | 68 | 108.7 Ų | 108.7 | 41% | 0.412 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -79.3 | -31.4 | -179.1 | 175.8 | 0 | 0 | 0 | 0 | 112.3 | F301 P307 | F301-V305 HydrophobicContact CD1-CG2 4.13Å; F301-V305 HydrophobicContact CD2-CG2 4.33Å; F301-V305 HydrophobicContact CE1-CG2 3.73Å; F301-V305 HydrophobicContact CE2-CG2 3.94Å; F301-V305 HydrophobicContact CG-CG2 4.42Å; F301-V305 HydrophobicContact CZ-CG2 3.64Å; F301-V305 WeakPolarHBondContact O-CG2 3.46Å; F301-V305 PolarHBondContact O-N 3.02Å; V305-P307 VanDerWaalsContact C-CD 3.44Å; V305-P307 WeakPolarHBondContact O-CD 3.48Å |
| 306 | H | 56.9 | Low | 53.3 | Low | 132 Ų | 132 | 111.3 Ų | 111.3 | 61% | 0.611 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -121.8 | 71.8 | 175.8 | -59.3 | -52 | 0 | 0 | 0 | 110.3 | N302 R308 | N302-H306 WeakPolarHBondContact O-CA 3.26Å; N302-H306 WeakPolarHBondContact O-CB 3.14Å; N302-H306 PolarHBondContact O-N 3.3Å; H306-R308 PolarHBondContact O-N 3.48Å |
| 307 | P | 45.5 | Very low | 51.4 | Low | 90 Ų | 90 | 110.9 Ų | 110.9 | 58% | 0.584 | 62% | 0.616 | S | S | * | * | | | trans | -56.4 | 124.6 | 166.8 | 26.9 | -34 | 0 | 0 | 0 | 108 | V305 D309 | V305-P307 VanDerWaalsContact C-CD 3.44Å; V305-P307 WeakPolarHBondContact O-CD 3.48Å; P307-D309 PolarHBondContact O-N 3.49Å |
| 308 | R | 40.3 | Very low | 49.1 | Very low | 219 Ų | 219 | 118 Ų | 118 | 83% | 0.826 | 65% | 0.651 | S | S | * | * | | | trans | -63.7 | 123.4 | -178.8 | -75.9 | -177.4 | 174 | 166.6 | -1.1 | 109.9 | H306 N310 | H306-R308 PolarHBondContact O-N 3.48Å; R308-N310 PolarHBondContact O-N 2.87Å |
| 309 | D | 35.5 | Very low | 47 | Very low | 141 Ų | 141 | 117.1 Ų | 117.1 | 75% | 0.754 | 66% | 0.663 | S | S | * | * | | | trans | -68.4 | 51.8 | 169 | -71.9 | -52.9 | 0 | 0 | 0 | 112.8 | P307 I311 | P307-D309 PolarHBondContact O-N 3.49Å; D309-I311 PolarHBondContact O-N 3.33Å |
| 310 | N | 38.5 | Very low | 45.2 | Very low | 115 Ų | 115 | 122.7 Ų | 122.7 | 62% | 0.615 | 69% | 0.686 | S | S | * | * | | | trans | -77.7 | 54.6 | 168.4 | -80.5 | 10.5 | 0 | 0 | 0 | 110.1 | R308 S312 | R308-N310 PolarHBondContact O-N 2.87Å; N310-S312 PolarHBondContact O-N 2.95Å |
| 311 | I | 31.6 | Very low | 43.1 | Very low | 154 Ų | 154 | 120.2 Ų | 120.2 | 79% | 0.79 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 62.3 | 173.3 | -48.5 | 179.2 | 0 | 0 | 0 | 108.7 | D309 | D309-I311 PolarHBondContact O-N 3.33Š|
| 312 | S | 28.7 | Very low | 41 | Very low | 99 Ų | 99 | 127.8 Ų | 127.8 | 69% | 0.692 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.3 | -6.8 | -177.3 | 58.8 | 0 | 0 | 0 | 0 | 114.9 | N310 | N310-S312 PolarHBondContact O-N 2.95Š|
| 313 | T | 30.8 | Very low | 39.3 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -147.7 | 91.8 | 165.7 | 50.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 314 | L | 28.2 | Very low | 37.3 | Very low | 173 Ų | 173 | 136.1 Ų | 136.1 | 91% | 0.906 | 75% | 0.751 | S | S | * | * | | | trans | 177.7 | 86.7 | 147.2 | -100.7 | 170.1 | 0 | 0 | 0 | 109.4 | | |
| 315 | T | 32.1 | Very low | 35.5 | Very low | 144 Ų | 144 | 139.7 Ų | 139.7 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | | | trans | -141.7 | 80.2 | 173.2 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 316 | S | 36.4 | Very low | 34 | Very low | 109 Ų | 109 | 142 Ų | 142 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -161.2 | 75.3 | 173.4 | 59.6 | 0 | 0 | 0 | 0 | 112 | | |
| 317 | G | 31 | Very low | 32.5 | Very low | 77 Ų | 77 | 145.2 Ų | 145.2 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | | | trans | 63.7 | 115.9 | 151.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 318 | L | 30.1 | Very low | 31.7 | Very low | 185 Ų | 185 | 146 Ų | 146 | 97% | 0.969 | 81% | 0.813 | S | S | * | * | | | trans | -69.9 | 146.8 | 144.8 | -77.5 | 78.7 | 0 | 0 | 0 | 108.8 | | |
| 319 | G | 33.2 | Very low | 31.2 | Very low | 71 Ų | 71 | 144.3 Ų | 144.3 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | | | trans | -169.7 | 53.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 320 | E | 32.8 | Very low | 31.1 | Very low | 206 Ų | 206 | 142 Ų | 142 | 96% | 0.963 | 81% | 0.809 | S | S | * | * | | | trans | 64 | 170.4 | 161.6 | -63.5 | 179.5 | 115.2 | 0 | 0 | 118.5 | | |
| 321 | S | 27.7 | Very low | 30.7 | Very low | 105 Ų | 105 | 142.5 Ų | 142.5 | 73% | 0.734 | 82% | 0.82 | S | S | * | * | | | trans | -125.1 | 165.3 | -160 | 62.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 322 | R | 31.5 | Very low | 30.4 | Very low | 245 Ų | 245 | 143 Ų | 143 | 93% | 0.925 | 83% | 0.825 | S | S | * | * | | | trans | 90.8 | 129.4 | -168.5 | -55.6 | 154.7 | 172.8 | 168.3 | -2.8 | 111.4 | | |
| 323 | N | 32.3 | Very low | 30.6 | Very low | 156 Ų | 156 | 143.7 Ų | 143.7 | 83% | 0.834 | 83% | 0.829 | S | S | * | * | | | cis | -134.9 | 178.1 | 33.5 | -157.4 | 7.6 | 0 | 0 | 0 | 114 | | |
| 324 | M | 28 | Very low | 30.6 | Very low | 151 Ų | 151 | 148.8 Ų | 148.8 | 74% | 0.744 | 84% | 0.836 | S | S | * | * | | | trans | -89.7 | 170.5 | 176.1 | -66.3 | -96.8 | 75.2 | 0 | 0 | 113.1 | | |
| 325 | L | 32 | Very low | 30.6 | Very low | 172 Ų | 172 | 144.7 Ų | 144.7 | 90% | 0.901 | 82% | 0.822 | S | S | * | * | | | trans | 87.7 | 129.4 | 164.8 | -51.9 | -177.6 | 0 | 0 | 0 | 117.4 | | |
| 326 | S | 30.6 | Very low | 30.7 | Very low | 116 Ų | 116 | 144.8 Ų | 144.8 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | | | trans | -82.8 | 151.8 | -179.8 | -39 | 0 | 0 | 0 | 0 | 112.1 | | |
| 327 | E | 25 | Very low | 30.5 | Very low | 199 Ų | 199 | 145.7 Ų | 145.7 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | | | trans | -104.6 | 131.8 | 156.8 | -67.1 | -173.1 | 154.6 | 0 | 0 | 109.4 | | |
| 328 | S | 29.5 | Very low | 30.6 | Very low | 108 Ų | 108 | 147.4 Ų | 147.4 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | | | trans | -158.6 | 141.6 | 173.3 | 59.4 | 0 | 0 | 0 | 0 | 112 | | |
| 329 | E | 30 | Very low | 30.8 | Very low | 182 Ų | 182 | 146 Ų | 146 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | | | trans | 68.4 | 137.2 | -168.1 | -79.6 | -136.1 | -125.4 | 0 | 0 | 116.7 | | |
| 330 | S | 33.6 | Very low | 30.5 | Very low | 93 Ų | 93 | 151 Ų | 151 | 65% | 0.65 | 80% | 0.802 | S | S | * | * | | | cis | -156.6 | -68.9 | -19.9 | 44.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 331 | C | 28.9 | Very low | 31 | Very low | 125 Ų | 125 | 146.2 Ų | 146.2 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | | | trans | -147.3 | 158.1 | -162.7 | -87.9 | 0 | 0 | 0 | 0 | 116.5 | | |
| 332 | N | 27 | Very low | 31.5 | Very low | 166 Ų | 166 | 146.5 Ų | 146.5 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | | | trans | -63.7 | 131.7 | -174.9 | -60.2 | -59.2 | 0 | 0 | 0 | 115 | | |
| 333 | S | 32.2 | Very low | 31.7 | Very low | 113 Ų | 113 | 140.9 Ų | 140.9 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | | | trans | -164.1 | 110.5 | 134.6 | 61.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 334 | Y | 30.6 | Very low | 32.2 | Very low | 229 Ų | 229 | 139.1 Ų | 139.1 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | | | trans | 43.7 | 125.9 | 141.6 | -116.2 | -109 | 0 | 0 | 0 | 122.9 | | |
| 335 | S | 29.1 | Very low | 32.6 | Very low | 87 Ų | 87 | 137 Ų | 137 | 61% | 0.608 | 76% | 0.764 | S | S | * | * | | | trans | 92.1 | 158.8 | 136.5 | -112.5 | 0 | 0 | 0 | 0 | 122.8 | | |
| 336 | Q | 34.3 | Very low | 32.8 | Very low | 146 Ų | 146 | 131.5 Ų | 131.5 | 68% | 0.682 | 74% | 0.738 | S | S | * | * | | | trans | 75.5 | 93.8 | 168 | -96.2 | 57.7 | 65.5 | 0 | 0 | 120.3 | | |
| 337 | D | 31.7 | Very low | 33 | Very low | 128 Ų | 128 | 135 Ų | 135 | 68% | 0.684 | 74% | 0.738 | S | S | * | * | | | | 76.6 | 126.4 | 119.2 | -59.1 | -2.2 | 0 | 0 | 0 | 124.3 | | |
| 338 | C | 32.9 | Very low | 33.9 | Very low | 112 Ų | 112 | 131 Ų | 131 | 76% | 0.757 | 73% | 0.73 | S | S | * | * | | | trans | 71.3 | 146.6 | 144.1 | -65.8 | 0 | 0 | 0 | 0 | 120.1 | | |
| 339 | L | 33.4 | Very low | 34.3 | Very low | 156 Ų | 156 | 129.6 Ų | 129.6 | 82% | 0.817 | 72% | 0.724 | S | S | * | * | | | cis | -160.5 | 145.1 | -16 | -120.1 | 165.1 | 0 | 0 | 0 | 109 | | |
| 340 | F | 27.7 | Very low | 34.6 | Very low | 177 Ų | 177 | 127.3 Ų | 127.3 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | | | trans | -73.3 | 162.4 | 158 | -69.9 | -93.6 | 0 | 0 | 0 | 109.4 | | |
| 341 | P | 42.8 | Very low | 34.7 | Very low | 104 Ų | 104 | 130.6 Ų | 130.6 | 68% | 0.675 | 73% | 0.732 | S | S | * | * | | | | -150.9 | 142.3 | 95.1 | 47.3 | -31 | 0 | 0 | 0 | 113.9 | | |
| 342 | T | 38 | Very low | 34.7 | Very low | 111 Ų | 111 | 132 Ų | 132 | 68% | 0.681 | 73% | 0.73 | S | S | * | * | | | | 82 | 152 | 99 | 68.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 343 | D | 36.9 | Very low | 34.9 | Very low | 127 Ų | 127 | 129.6 Ų | 129.6 | 68% | 0.679 | 73% | 0.726 | S | S | * | * | | | cis | -169.5 | 177.3 | 0.8 | -124.9 | -24.8 | 0 | 0 | 0 | 116.3 | | |
| 344 | V | 41.4 | Very low | 34.8 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | | | trans | 69.6 | 142 | 139 | 157.7 | 0 | 0 | 0 | 0 | 119.8 | | |
| 345 | V | 37.4 | Very low | 34.9 | Very low | 107 Ų | 107 | 125.2 Ų | 125.2 | 65% | 0.648 | 72% | 0.723 | S | S | * | * | | | cis | -169.1 | 125.9 | -11.4 | 130.7 | 0 | 0 | 0 | 0 | 104.9 | | |
| 346 | T | 36.8 | Very low | 35.1 | Very low | 56 Ų | 56 | 131.1 Ų | 131.1 | 34% | 0.344 | 73% | 0.732 | S | S | . | * | | | | 64.2 | 143.1 | 69.9 | 74.7 | 0 | 0 | 0 | 0 | 119.1 | N365 | T346-N365 WeakPolarHBondContact CG2-O 3.46Š|
| 347 | K | 34.4 | Very low | 35 | Very low | 189 Ų | 189 | 130.8 Ų | 130.8 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | | | trans | 92.2 | 163.5 | 135.5 | -87.7 | 167.3 | -180 | 173.7 | 0 | 120.2 | | |
| 348 | P | 44.2 | Very low | 35 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | | | | -148.2 | -172.1 | -61.3 | 39.3 | -17.7 | 0 | 0 | 0 | 116.9 | | |
| 349 | A | 36.9 | Very low | 35 | Very low | 77 Ų | 77 | 136.4 Ų | 136.4 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | | | | 115.7 | 124.9 | 127.8 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 350 | T | 36.4 | Very low | 35 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 83% | 0.828 | 73% | 0.731 | S | S | * | * | | | trans | 64.1 | 154.6 | 141.4 | 57 | 0 | 0 | 0 | 0 | 119.7 | | |
| 351 | I | 35.1 | Very low | 35.2 | Very low | 161 Ų | 161 | 133 Ų | 133 | 83% | 0.826 | 73% | 0.73 | S | S | * | * | | | cis | -129.7 | 175.1 | 10.9 | -64.9 | 174.4 | 0 | 0 | 0 | 110.7 | | |
| 352 | L | 30.4 | Very low | 34.7 | Very low | 156 Ų | 156 | 135.6 Ų | 135.6 | 82% | 0.817 | 74% | 0.738 | S | S | * | * | | | trans | -63.5 | 163.5 | 178.3 | -59.7 | 159.5 | 0 | 0 | 0 | 117.5 | | |
| 353 | S | 29.8 | Very low | 34.4 | Very low | 114 Ų | 114 | 136.3 Ų | 136.3 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | | | trans | 88.7 | 136.5 | 149.3 | -60.9 | 0 | 0 | 0 | 0 | 121.2 | | |
| 354 | A | 30.8 | Very low | 34.3 | Very low | 96 Ų | 96 | 137.8 Ų | 137.8 | 79% | 0.793 | 75% | 0.747 | S | S | * | * | | | trans | 71.5 | 139.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 355 | D | 32 | Very low | 33.9 | Very low | 155 Ų | 155 | 137.3 Ų | 137.3 | 83% | 0.829 | 74% | 0.74 | S | S | * | * | | | trans | 39.3 | 136 | 159.9 | -67 | -22.7 | 0 | 0 | 0 | 123.9 | | |
| 356 | R | 34 | Very low | 33.9 | Very low | 211 Ų | 211 | 138.7 Ų | 138.7 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | | | trans | 60.3 | 113.3 | 146.2 | -81.6 | -172.6 | 138.1 | 128.9 | 1 | 121.6 | | |
| 357 | E | 31.8 | Very low | 33.8 | Very low | 138 Ų | 138 | 138.8 Ų | 138.8 | 65% | 0.645 | 76% | 0.755 | S | S | * | * | | | | 67.6 | 113.8 | 119.5 | -67.7 | -173.5 | 107.6 | 0 | 0 | 121.2 | | |
| 358 | Y | 32.7 | Very low | 34 | Very low | 192 Ų | 192 | 136.4 Ų | 136.4 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | | | trans | 80.6 | 93.3 | 143.5 | -80 | -108 | 0 | 0 | 0 | 122.4 | | |
| 359 | K | 33.1 | Very low | 33.5 | Very low | 166 Ų | 166 | 139.2 Ų | 139.2 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | | | | 72.3 | 106.5 | 105.6 | -174 | -173.7 | -177.8 | -178.6 | 0 | 120.5 | | |
| 360 | L | 31.7 | Very low | 33.3 | Very low | 153 Ų | 153 | 143 Ų | 143 | 80% | 0.801 | 76% | 0.76 | S | S | * | * | | | | 175.4 | 146.1 | 117.8 | -104.6 | 138 | 0 | 0 | 0 | 116.3 | | |
| 361 | S | 32.1 | Very low | 33.1 | Very low | 108 Ų | 108 | 142.4 Ų | 142.4 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | | | trans | 79.6 | 154.6 | 155 | -58.4 | 0 | 0 | 0 | 0 | 122.2 | | |
| 362 | N | 32.6 | Very low | 32.8 | Very low | 159 Ų | 159 | 143 Ų | 143 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | | | trans | -121.7 | 163.8 | -165.3 | -68.1 | -29 | 0 | 0 | 0 | 114.4 | | |
| 363 | V | 32.1 | Very low | 32.9 | Very low | 127 Ų | 127 | 144.4 Ų | 144.4 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | | | | 166 | 120.4 | 129 | 154.6 | 0 | 0 | 0 | 0 | 116.1 | | |
| 364 | M | 33.6 | Very low | 33.1 | Very low | 157 Ų | 157 | 147.7 Ų | 147.7 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | trans | 51.2 | 135.2 | 142 | -58.6 | -176.5 | 177.7 | 0 | 0 | 128.2 | | |
| 365 | N | 34 | Very low | 33.8 | Very low | 110 Ų | 110 | 148.6 Ų | 148.6 | 59% | 0.588 | 76% | 0.755 | S | S | * | * | | | | 59.5 | 153.2 | 128 | -72.8 | 2.3 | 0 | 0 | 0 | 124.5 | T346 | T346-N365 WeakPolarHBondContact CG2-O 3.46Š|
| 366 | I | 37.6 | Very low | 33.9 | Very low | 136 Ų | 136 | 147.3 Ų | 147.3 | 70% | 0.697 | 75% | 0.748 | S | S | * | * | | | cis | -162.5 | 167.3 | -23.1 | -128.3 | 171.6 | 0 | 0 | 0 | 113 | | |
| 367 | G | 35.2 | Very low | 33.8 | Very low | 58 Ų | 58 | 145.4 Ų | 145.4 | 60% | 0.598 | 75% | 0.748 | S | S | * | * | | | trans | 108.3 | 174 | 160 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 368 | N | 37.2 | Very low | 34 | Very low | 139 Ų | 139 | 144.2 Ų | 144.2 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | | | cis | 178.9 | 146.5 | -11 | -102.4 | -27.3 | 0 | 0 | 0 | 106.3 | | |
| 369 | K | 33.6 | Very low | 34.1 | Very low | 176 Ų | 176 | 139.7 Ų | 139.7 | 77% | 0.765 | 75% | 0.751 | S | S | * | * | | | cis | -148.8 | -173.3 | 3.4 | -60.4 | -172.5 | -177.1 | 177.7 | 0 | 107.3 | | |
| 370 | L | 34.2 | Very low | 33.9 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 82% | 0.817 | 75% | 0.754 | S | S | * | * | | | | -172.7 | 149.7 | -54 | -168 | 75.3 | 0 | 0 | 0 | 108.6 | | |
| 371 | V | 31.1 | Very low | 33.9 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 74% | 0.739 | 75% | 0.751 | S | S | * | * | | | trans | 71 | 128.6 | 172 | -160.2 | 0 | 0 | 0 | 0 | 115.8 | | |
| 372 | Q | 28.9 | Very low | 33.6 | Very low | 173 Ų | 173 | 141.8 Ų | 141.8 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | | | cis | -148.9 | 175 | 2.4 | -138.3 | 175.5 | 42.8 | 0 | 0 | 111.8 | | |
| 373 | K | 33.6 | Very low | 33.5 | Very low | 186 Ų | 186 | 141.7 Ų | 141.7 | 81% | 0.809 | 75% | 0.751 | S | S | * | * | | | trans | 81.9 | 148 | 172.9 | -66.9 | -173.9 | 174.5 | -179.4 | 0 | 119.2 | | |
| 374 | H | 33.7 | Very low | 33.3 | Very low | 184 Ų | 184 | 143 Ų | 143 | 85% | 0.852 | 75% | 0.754 | S | S | * | * | | | trans | -54.5 | 153.2 | 165.1 | -45.1 | -99.2 | 0 | 0 | 0 | 111.5 | | |
| 375 | P | 45.7 | Very low | 33.1 | Very low | 114 Ų | 114 | 141 Ų | 141 | 74% | 0.74 | 76% | 0.755 | S | S | * | * | | | | -131.6 | -155.6 | 61.7 | 43.1 | -28.5 | 0 | 0 | 0 | 111.8 | | |
| 376 | N | 34.3 | Very low | 32.9 | Very low | 128 Ų | 128 | 144.5 Ų | 144.5 | 68% | 0.684 | 77% | 0.768 | S | S | * | * | | | cis | -151.5 | 164.7 | -1.5 | -130.4 | 8 | 0 | 0 | 0 | 106.1 | | |
| 377 | H | 30.4 | Very low | 32.7 | Very low | 172 Ų | 172 | 143.4 Ų | 143.4 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | | | cis | 76.1 | 98.8 | 15.7 | -66.5 | -88.5 | 0 | 0 | 0 | 118.5 | | |
| 378 | S | 35.9 | Very low | 32.6 | Very low | 112 Ų | 112 | 148.1 Ų | 148.1 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | | | trans | 176.7 | 135.3 | 160.3 | -75.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 379 | S | 35.3 | Very low | 32.6 | Very low | 97 Ų | 97 | 148.1 Ų | 148.1 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | | | cis | -153.7 | 138.2 | -3.9 | -81.3 | 0 | 0 | 0 | 0 | 107.2 | | |
| 380 | L | 29.2 | Very low | 32.6 | Very low | 148 Ų | 148 | 146 Ų | 146 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | | | | 60.1 | 128.2 | 74.3 | -64.5 | -179.7 | 0 | 0 | 0 | 112.4 | | |
| 381 | L | 31 | Very low | 32.6 | Very low | 141 Ų | 141 | 142.1 Ų | 142.1 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | | | cis | -146.7 | 146.4 | 5.8 | -84.8 | 133.9 | 0 | 0 | 0 | 108.6 | | |
| 382 | F | 26.3 | Very low | 32.7 | Very low | 183 Ų | 183 | 147.4 Ų | 147.4 | 80% | 0.803 | 78% | 0.776 | S | S | * | * | | | | 80.8 | 140.3 | 69.8 | -120.6 | -77.2 | 0 | 0 | 0 | 115.9 | | |
| 383 | L | 30.8 | Very low | 32.9 | Very low | 157 Ų | 157 | 147.8 Ų | 147.8 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | trans | 86.8 | 159.2 | 172.4 | -56.5 | 176.8 | 0 | 0 | 0 | 118.8 | | |
| 384 | N | 27.9 | Very low | 33 | Very low | 153 Ų | 153 | 144.9 Ų | 144.9 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | -119 | 162 | -156.3 | -68.8 | -28.2 | 0 | 0 | 0 | 114.2 | | |
| 385 | S | 28.9 | Very low | 33 | Very low | 115 Ų | 115 | 143.5 Ų | 143.5 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | trans | 89 | 132.8 | 148.1 | -59.9 | 0 | 0 | 0 | 0 | 121 | | |
| 386 | E | 29.6 | Very low | 32.4 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | | | trans | 99.4 | 155.8 | 137.9 | -142.2 | 149.2 | -124.6 | 0 | 0 | 120 | | |
| 387 | V | 34.5 | Very low | 32.3 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | | | trans | 79.9 | 95.4 | 167.6 | -172.3 | 0 | 0 | 0 | 0 | 119.3 | | |
| 388 | E | 32.5 | Very low | 32.5 | Very low | 157 Ų | 157 | 143.8 Ų | 143.8 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | | | | 63 | 164.5 | 128.6 | -61.1 | -163.1 | 120 | 0 | 0 | 121.3 | | |
| 389 | Q | 37 | Very low | 32.5 | Very low | 138 Ų | 138 | 143.3 Ų | 143.3 | 65% | 0.645 | 77% | 0.765 | S | S | * | * | | | cis | -157.3 | 155.5 | -6.2 | -125.5 | 172.2 | 37 | 0 | 0 | 111.5 | | |
| 390 | T | 33.6 | Very low | 32.5 | Very low | 131 Ų | 131 | 142.8 Ų | 142.8 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | trans | 39.2 | 139.6 | 149.7 | 61.5 | 0 | 0 | 0 | 0 | 124.8 | | |
| 391 | G | 34 | Very low | 32.9 | Very low | 76 Ų | 76 | 145.3 Ų | 145.3 | 78% | 0.784 | 76% | 0.761 | S | S | * | * | | | trans | 170.1 | 147.6 | 154.5 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 392 | R | 34.5 | Very low | 33 | Very low | 233 Ų | 233 | 144.6 Ų | 144.6 | 88% | 0.879 | 76% | 0.763 | S | S | * | * | | | trans | -143 | 148.5 | 175.7 | -65 | -173.5 | -171.3 | -148.1 | 6.2 | 111.5 | | |
| 393 | F | 32.4 | Very low | 33.4 | Very low | 180 Ų | 180 | 142.7 Ų | 142.7 | 79% | 0.789 | 77% | 0.767 | S | S | * | * | | | | 163.7 | 131.5 | 123.3 | -104.4 | -112 | 0 | 0 | 0 | 112.4 | | |
| 394 | L | 35.6 | Very low | 33.5 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 66% | 0.66 | 76% | 0.761 | S | S | * | * | | | trans | 23.9 | 144.3 | 133 | -71.4 | 152.6 | 0 | 0 | 0 | 120.7 | | |
| 395 | E | 33.3 | Very low | 33.8 | Very low | 155 Ų | 155 | 142.5 Ų | 142.5 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | | | cis | -168.4 | 164 | -2.7 | -153.6 | 167.8 | -153 | 0 | 0 | 112.7 | | |
| 396 | T | 34.6 | Very low | 34 | Very low | 113 Ų | 113 | 142.8 Ų | 142.8 | 69% | 0.693 | 76% | 0.759 | S | S | * | * | | | trans | 71.2 | 135.6 | 164.1 | 69 | 0 | 0 | 0 | 0 | 122.7 | | |
| 397 | N | 31.9 | Very low | 34.1 | Very low | 144 Ų | 144 | 139.4 Ų | 139.4 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | | | trans | 70.7 | 116.2 | 149.5 | -63 | -15.7 | 0 | 0 | 0 | 123.3 | | |
| 398 | N | 34.4 | Very low | 33.8 | Very low | 162 Ų | 162 | 139.4 Ų | 139.4 | 87% | 0.866 | 76% | 0.76 | S | S | * | * | | | trans | 75 | 129 | 148.4 | -69.2 | -14.8 | 0 | 0 | 0 | 122.5 | | |
| 399 | S | 35 | Very low | 33.8 | Very low | 103 Ų | 103 | 137.9 Ų | 137.9 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | | | trans | 80.5 | 87.2 | 142.6 | -172.3 | 0 | 0 | 0 | 0 | 121.7 | | |
| 400 | S | 35.4 | Very low | 33.7 | Very low | 86 Ų | 86 | 135.6 Ų | 135.6 | 60% | 0.601 | 77% | 0.766 | S | S | * | * | | | | 86.3 | 153.4 | 119.4 | -46.2 | 0 | 0 | 0 | 0 | 121.5 | | |
| 401 | Y | 37.8 | Very low | 33.7 | Very low | 200 Ų | 200 | 139 Ų | 139 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | | | trans | 65.4 | 82.5 | 167.5 | -55.3 | -66.8 | 0 | 0 | 0 | 117.6 | | |
| 402 | T | 33.3 | Very low | 33.6 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | | | | 75.4 | 88.4 | 72.4 | 68.8 | 0 | 0 | 0 | 0 | 116.2 | | |
| 403 | T | 33.8 | Very low | 33.6 | Very low | 143 Ų | 143 | 139.3 Ų | 139.3 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | | | trans | -142.7 | 165 | 160.7 | -27.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 404 | T | 33.7 | Very low | 33.5 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | trans | -124.5 | 148.5 | -164.4 | 65.9 | 0 | 0 | 0 | 0 | 115 | | |
| 405 | K | 34.3 | Very low | 33.8 | Very low | 190 Ų | 190 | 137.4 Ų | 137.4 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | | | trans | 72.1 | 143 | 166.7 | -58.7 | 169.7 | -176.6 | 174.4 | 0 | 115 | | |
| 406 | T | 34 | Very low | 33.7 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | | | cis | -159.2 | 150.4 | 1.6 | -1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 407 | S | 30.2 | Very low | 33.6 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | 64 | 154.1 | 162.3 | 66.2 | 0 | 0 | 0 | 0 | 117.1 | | |
| 408 | C | 29.4 | Very low | 33.5 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | | | cis | -134.9 | 172.1 | 20.7 | -83.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 409 | S | 32 | Very low | 33.1 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | | | trans | 58.4 | 143.3 | 179.3 | 64.1 | 0 | 0 | 0 | 0 | 116.7 | | |
| 410 | S | 35.4 | Very low | 32.9 | Very low | 91 Ų | 91 | 141.1 Ų | 141.1 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | S | Bend | cis | -133.8 | 156.9 | 13.7 | -151.9 | 0 | 0 | 0 | 0 | 113 | | |
| 411 | F | 33.1 | Very low | 32.5 | Very low | 202 Ų | 202 | 141.9 Ų | 141.9 | 89% | 0.886 | 79% | 0.787 | S | S | * | * | | | trans | 23.9 | 125.3 | 173.9 | -54.4 | -70.6 | 0 | 0 | 0 | 120.4 | | |
| 412 | G | 32.1 | Very low | 32.2 | Very low | 67 Ų | 67 | 143.1 Ų | 143.1 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | | | cis | 118.6 | 99.2 | -2.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 413 | R | 34.2 | Very low | 32.1 | Very low | 249 Ų | 249 | 141.8 Ų | 141.8 | 94% | 0.94 | 79% | 0.788 | S | S | * | * | | | trans | 74.6 | 104.5 | 162.3 | -64.9 | -174.5 | -179.5 | -101.5 | 1.5 | 120.3 | | |
| 414 | L | 31 | Very low | 31.9 | Very low | 161 Ų | 161 | 142.6 Ų | 142.6 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | | -66.8 | 169.6 | 122.6 | -71.9 | 167 | 0 | 0 | 0 | 109.9 | | |
| 415 | P | 40.5 | Very low | 31.8 | Very low | 104 Ų | 104 | 145.1 Ų | 145.1 | 68% | 0.675 | 79% | 0.791 | S | S | * | * | | | cis | -130.4 | 178.6 | 3.4 | 35.6 | -16.6 | 0 | 0 | 0 | 114.2 | | |
| 416 | L | 32.6 | Very low | 31.9 | Very low | 164 Ų | 164 | 141.8 Ų | 141.8 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | | | | 175.6 | 160.1 | 115.9 | -92.5 | 171.1 | 0 | 0 | 0 | 113.9 | | |
| 417 | S | 32.3 | Very low | 32.1 | Very low | 94 Ų | 94 | 141.1 Ų | 141.1 | 66% | 0.657 | 78% | 0.783 | S | S | * | * | | | trans | -50.6 | 136.5 | -173 | 49.1 | 0 | 0 | 0 | 0 | 120 | | |
| 418 | L | 28.3 | Very low | 32.1 | Very low | 158 Ų | 158 | 143 Ų | 143 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | | | trans | 48.6 | 126.2 | 136.2 | -89.2 | 72.4 | 0 | 0 | 0 | 122.4 | | |
| 419 | S | 27.5 | Very low | 32.3 | Very low | 104 Ų | 104 | 142.7 Ų | 142.7 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | trans | 54.5 | 105.5 | 140.2 | 64.2 | 0 | 0 | 0 | 0 | 120.2 | | |
| 420 | Y | 29.5 | Very low | 32.1 | Very low | 235 Ų | 235 | 141.8 Ų | 141.8 | 92% | 0.922 | 78% | 0.782 | S | S | * | * | | | | -142.3 | 148.5 | 125.3 | -133.7 | -92.8 | 0 | 0 | 0 | 110.2 | | |
| 421 | S | 27.6 | Very low | 31.9 | Very low | 103 Ų | 103 | 143.4 Ų | 143.4 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | | | trans | -75.6 | 149.8 | -179.8 | -56 | 0 | 0 | 0 | 0 | 111.7 | | |
| 422 | Y | 31.8 | Very low | 31.8 | Very low | 226 Ų | 226 | 142.1 Ų | 142.1 | 89% | 0.886 | 79% | 0.789 | S | S | * | * | | | trans | -125.6 | 113.7 | 157 | -128.2 | -87.6 | 0 | 0 | 0 | 109.5 | | |
| 423 | S | 30.2 | Very low | 32 | Very low | 99 Ų | 99 | 144.1 Ų | 144.1 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | | | trans | -78 | 141.2 | 169.7 | -55.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 424 | N | 31.4 | Very low | 31.9 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | | | trans | -121.8 | 102.8 | 155.4 | -90.1 | -17.5 | 0 | 0 | 0 | 106.9 | | |
| 425 | E | 29.9 | Very low | 32.1 | Very low | 168 Ų | 168 | 138.4 Ų | 138.4 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | -157.2 | 166.4 | 178.5 | -106.3 | -60.4 | 168.6 | 0 | 0 | 108 | | |
| 426 | V | 36.7 | Very low | 31.7 | Very low | 119 Ų | 119 | 139 Ų | 139 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | | | trans | 72.5 | 140.3 | -178.8 | -172.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 427 | P | 39.3 | Very low | 31.8 | Very low | 107 Ų | 107 | 141.8 Ų | 141.8 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | | | cis | -125.4 | 140.6 | 15.3 | 20.1 | 4.3 | 0 | 0 | 0 | 118.6 | | |
| 428 | I | 30 | Very low | 31.8 | Very low | 155 Ų | 155 | 147.7 Ų | 147.7 | 80% | 0.795 | 80% | 0.796 | S | S | * | * | | | trans | 43.4 | 115.2 | 134.2 | -36.6 | 170.2 | 0 | 0 | 0 | 120 | | |
| 429 | A | 32.6 | Very low | 31.9 | Very low | 107 Ų | 107 | 144.4 Ų | 144.4 | 88% | 0.884 | 79% | 0.786 | S | S | * | * | | | trans | -150.8 | 102.5 | 140.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 430 | S | 28.6 | Very low | 32.2 | Very low | 105 Ų | 105 | 146.1 Ų | 146.1 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | | | trans | -100.1 | 124.3 | -178.1 | 55.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 431 | C | 30.9 | Very low | 32.4 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | | | trans | -159.6 | 81.5 | 167.5 | -117.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 432 | Q | 31.1 | Very low | 32.8 | Very low | 175 Ų | 175 | 142.7 Ų | 142.7 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | -145.9 | 102.4 | 165.7 | -94.4 | -68.5 | -68.8 | 0 | 0 | 109.4 | | |
| 433 | P | 36.3 | Very low | 32.8 | Very low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | | | trans | -96.6 | 125.7 | 164.2 | 33.6 | -26.6 | 0 | 0 | 0 | 110.1 | | |
| 434 | N | 31.3 | Very low | 32.9 | Very low | 158 Ų | 158 | 137.7 Ų | 137.7 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | | | trans | -157.4 | 138.2 | 153.5 | -104.9 | -33.7 | 0 | 0 | 0 | 110.4 | | |
| 435 | T | 35.3 | Very low | 33.1 | Very low | 131 Ų | 131 | 137.4 Ų | 137.4 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | -100.7 | 139.3 | -167.7 | 48.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 436 | T | 32.8 | Very low | 33.5 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 71% | 0.712 | 77% | 0.766 | S | S | * | * | | | trans | -11.9 | 134.1 | 149.9 | 30.7 | 0 | 0 | 0 | 0 | 117.4 | | |
| 437 | Y | 33.9 | Very low | 33.4 | Very low | 223 Ų | 223 | 136.4 Ų | 136.4 | 88% | 0.875 | 77% | 0.771 | S | S | * | * | | | | -163.1 | -179.4 | 98.4 | -118 | -88.3 | 0 | 0 | 0 | 113 | | |
| 438 | Y | 32.7 | Very low | 32.9 | Very low | 219 Ų | 219 | 137.6 Ų | 137.6 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | | | trans | -95.4 | 179.3 | -160.4 | -113.3 | -98.5 | 0 | 0 | 0 | 116.2 | | |
| 439 | S | 31.4 | Very low | 33 | Very low | 88 Ų | 88 | 136.1 Ų | 136.1 | 62% | 0.615 | 77% | 0.769 | S | S | * | * | | | trans | -82.8 | 170.2 | -159.4 | -36.1 | 0 | 0 | 0 | 0 | 118.8 | | |
| 440 | N | 32.8 | Very low | 33 | Very low | 140 Ų | 140 | 137.7 Ų | 137.7 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | | | trans | 88.7 | 94.3 | 153.6 | -55.5 | -21.3 | 0 | 0 | 0 | 120.2 | | |
| 441 | I | 33 | Very low | 33.2 | Very low | 157 Ų | 157 | 136.2 Ų | 136.2 | 81% | 0.805 | 76% | 0.762 | S | S | * | * | | | | 40.9 | 134.8 | 106.1 | -60.4 | 172 | 0 | 0 | 0 | 117.5 | | |
| 442 | P | 37.2 | Very low | 33.6 | Very low | 109 Ų | 109 | 136.5 Ų | 136.5 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | | | cis | -137.9 | 176.4 | 15.4 | 36 | -15.5 | 0 | 0 | 0 | 118.8 | | |
| 443 | S | 30.5 | Very low | 33.4 | Very low | 107 Ų | 107 | 132.5 Ų | 132.5 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | trans | 103.5 | 140.6 | 136.5 | 83.8 | 0 | 0 | 0 | 0 | 122.4 | | |
| 444 | T | 33.4 | Very low | 33.2 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | | | trans | 94.6 | 85.6 | 143.9 | -46 | 0 | 0 | 0 | 0 | 121.1 | | |
| 445 | I | 34.4 | Very low | 33.3 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | | | | 65 | 139.7 | 121.4 | -73 | 172.3 | 0 | 0 | 0 | 120.4 | | |
| 446 | P | 40 | Very low | 33.2 | Very low | 103 Ų | 103 | 135.3 Ų | 135.3 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | | | cis | -142.5 | -140.6 | -23.7 | 42.9 | -20.9 | 0 | 0 | 0 | 113.1 | | |
| 447 | I | 33.8 | Very low | 33 | Very low | 163 Ų | 163 | 140.4 Ų | 140.4 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 79.4 | 117.5 | 179.6 | -48.4 | 174.2 | 0 | 0 | 0 | 112.7 | | |
| 448 | D | 29.8 | Very low | 33 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | cis | -131.1 | 143.5 | 1.1 | -169.8 | 4.3 | 0 | 0 | 0 | 111 | | |
| 449 | V | 32.2 | Very low | 33.2 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | | | trans | -145 | 107.1 | 173.6 | 176.9 | 0 | 0 | 0 | 0 | 109 | A451 | V449-A451 HydrophobicContact CG1-CB 4.06Å; V449-A451 PolarHBondContact O-N 3.17Å |
| 450 | T | 32.1 | Very low | 33.7 | Very low | 141 Ų | 141 | 132.5 Ų | 132.5 | 87% | 0.865 | 77% | 0.766 | S | S | * | * | | | trans | -90 | 96.3 | 166 | -65.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 451 | A | 32.5 | Very low | 34.1 | Very low | 74 Ų | 74 | 131 Ų | 131 | 61% | 0.612 | 76% | 0.764 | S | S | * | * | | | trans | -149.3 | 155.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | V449 | V449-A451 HydrophobicContact CG1-CB 4.06Å; V449-A451 PolarHBondContact O-N 3.17Å |
| 452 | P | 38.4 | Very low | 34 | Very low | 130 Ų | 130 | 129.2 Ų | 129.2 | 84% | 0.844 | 76% | 0.761 | S | S | * | * | | | cis | -144.3 | -166.7 | 40.7 | 41 | -19.7 | 0 | 0 | 0 | 115.5 | | |
| 453 | A | 27.7 | Very low | 33.7 | Very low | 92 Ų | 92 | 130.9 Ų | 130.9 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | | | trans | -82.6 | 171.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 454 | V | 33.1 | Very low | 33.7 | Very low | 135 Ų | 135 | 130.5 Ų | 130.5 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | trans | -162.1 | 121.4 | 142 | 129.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 455 | T | 31.4 | Very low | 33.7 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | | | trans | 44.7 | 117 | 143.1 | -46.2 | 0 | 0 | 0 | 0 | 122.8 | | |
| 456 | K | 34.3 | Very low | 33.4 | Very low | 205 Ų | 205 | 130.3 Ų | 130.3 | 89% | 0.891 | 76% | 0.763 | S | S | * | * | | | | -163 | 152.9 | 122.8 | -108.7 | 167 | -174.8 | 177.2 | 0 | 112.6 | | |
| 457 | Y | 28.9 | Very low | 32.9 | Very low | 223 Ų | 223 | 130.3 Ų | 130.3 | 88% | 0.875 | 76% | 0.761 | S | S | * | * | | | trans | -114 | 177.3 | 179.2 | -101.4 | -94.8 | 0 | 0 | 0 | 110.9 | | |
| 458 | V | 32.7 | Very low | 32.7 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | | | trans | 86.7 | 107.5 | 173.1 | -171.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 459 | V | 38.2 | Very low | 32.7 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | | | cis | 84 | 134.4 | 47.5 | 171.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 460 | P | 40.4 | Very low | 32.7 | Very low | 116 Ų | 116 | 130.7 Ų | 130.7 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | | | cis | -123.2 | -122.5 | -16.9 | 29.4 | -3.6 | 0 | 0 | 0 | 114.8 | | |
| 461 | P | 43 | Very low | 32.7 | Very low | 108 Ų | 108 | 130.9 Ų | 130.9 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | | | | -134.8 | -156.7 | -116.4 | 46.2 | -25.5 | 0 | 0 | 0 | 117 | | |
| 462 | T | 29.2 | Very low | 32.6 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 74% | 0.742 | 76% | 0.756 | S | S | * | * | | | trans | 89.8 | 151.1 | 160.2 | 11 | 0 | 0 | 0 | 0 | 120.6 | | |
| 463 | D | 32.3 | Very low | 32.2 | Very low | 144 Ų | 144 | 131.9 Ų | 131.9 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | | | trans | 67.8 | 146.3 | 172.1 | -74.7 | -42.4 | 0 | 0 | 0 | 120 | | |
| 464 | S | 30.4 | Very low | 32.3 | Very low | 99 Ų | 99 | 135.5 Ų | 135.5 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | | | cis | -166.7 | 165.2 | -26.7 | -120.1 | 0 | 0 | 0 | 0 | 112 | | |
| 465 | A | 32.8 | Very low | 32.3 | Very low | 84 Ų | 84 | 133.4 Ų | 133.4 | 69% | 0.694 | 73% | 0.733 | S | S | * | * | | | trans | 56.9 | 113.6 | 152.9 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 466 | Q | 28.9 | Very low | 32.4 | Very low | 180 Ų | 180 | 137.1 Ų | 137.1 | 84% | 0.841 | 74% | 0.739 | S | S | * | * | | | | 67.9 | 140.5 | 122.4 | -63.9 | -165.7 | 26.5 | 0 | 0 | 124.6 | | |
| 467 | V | 28.8 | Very low | 32.1 | Very low | 102 Ų | 102 | 132 Ų | 132 | 62% | 0.618 | 73% | 0.73 | S | S | * | * | | | | 97.4 | 116.4 | 129.4 | 147.1 | 0 | 0 | 0 | 0 | 122.1 | | |
| 468 | K | 28.8 | Very low | 32.2 | Very low | 167 Ų | 167 | 127.5 Ų | 127.5 | 73% | 0.726 | 73% | 0.73 | S | S | * | * | | | trans | 51 | 119.5 | 148 | -57.7 | 169.5 | -163.8 | 167.1 | 0 | 120.4 | | |
| 469 | N | 31.8 | Very low | 31.8 | Very low | 151 Ų | 151 | 133.1 Ų | 133.1 | 81% | 0.807 | 74% | 0.737 | S | S | * | * | | | | -175.3 | 161.6 | 100.1 | -89 | -29.2 | 0 | 0 | 0 | 109.7 | | |
| 470 | V | 31.1 | Very low | 31.7 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 66% | 0.655 | 73% | 0.734 | S | S | * | * | | | cis | 160.7 | 160 | -26.9 | 140.6 | 0 | 0 | 0 | 0 | 106.4 | | |
| 471 | L | 32.1 | Very low | 31.2 | Very low | 145 Ų | 145 | 132.4 Ų | 132.4 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | | | trans | 69.5 | 116.9 | -173.6 | -92.9 | 43 | 0 | 0 | 0 | 113.4 | | |
| 472 | T | 30.7 | Very low | 30.7 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 71% | 0.712 | 74% | 0.741 | S | S | * | * | | | | 70 | 144.8 | 50.8 | 76.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 473 | D | 30.2 | Very low | 30.8 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 58% | 0.583 | 74% | 0.737 | S | S | * | * | | | cis | -157.8 | 173.7 | 33.8 | -154.4 | 15.3 | 0 | 0 | 0 | 115.9 | | |
| 474 | K | 29.8 | Very low | 30.5 | Very low | 169 Ų | 169 | 133.9 Ų | 133.9 | 74% | 0.735 | 74% | 0.74 | S | S | * | * | | | trans | -5.7 | 150 | 163.8 | -62.7 | 157 | -163 | 83.9 | 0 | 117.9 | | |
| 475 | S | 33.3 | Very low | 30.3 | Very low | 90 Ų | 90 | 133.9 Ų | 133.9 | 63% | 0.629 | 74% | 0.74 | S | S | * | * | | | cis | -176.5 | 155.4 | 49.1 | 76.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 476 | K | 32.3 | Very low | 30.1 | Very low | 195 Ų | 195 | 135.6 Ų | 135.6 | 85% | 0.848 | 74% | 0.742 | S | S | * | * | | | trans | 53.6 | 149.9 | 136.7 | -65 | 166.5 | -173.4 | 176.7 | 0 | 120.3 | | |
| 477 | S | 28.5 | Very low | 30.2 | Very low | 99 Ų | 99 | 132.5 Ų | 132.5 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | | | cis | -178.3 | 132 | -18.5 | 50.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 478 | C | 32.3 | Very low | 30.1 | Very low | 128 Ų | 128 | 136 Ų | 136 | 87% | 0.865 | 75% | 0.745 | S | S | * | * | | | trans | -169.8 | 138.2 | 146 | -108.8 | 0 | 0 | 0 | 0 | 112 | | |
| 479 | W | 23 | Very low | 30.3 | Very low | 243 Ų | 243 | 137.1 Ų | 137.1 | 92% | 0.92 | 75% | 0.752 | S | S | * | * | | | trans | -122.3 | -163.6 | 168.8 | -71.3 | 71.6 | 0 | 0 | 0 | 106.3 | | |
| 480 | P | 37.3 | Very low | 29.9 | Very low | 104 Ų | 104 | 135.7 Ų | 135.7 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | | | cis | -126.7 | -162.6 | -35.8 | 18.1 | 6.8 | 0 | 0 | 0 | 111.7 | | |
| 481 | T | 29.7 | Very low | 30.1 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | | | trans | 110.8 | 114.7 | 134.6 | -46.2 | 0 | 0 | 0 | 0 | 118.4 | | |
| 482 | L | 32.6 | Very low | 30 | Very low | 166 Ų | 166 | 138 Ų | 138 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | | | trans | -91.4 | 150.4 | 150.7 | -76.6 | 164 | 0 | 0 | 0 | 108.7 | | |
| 483 | P | 30 | Very low | 29.8 | Very low | 103 Ų | 103 | 138 Ų | 138 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | | | | -155.9 | 154.3 | 111 | 40.9 | -23.1 | 0 | 0 | 0 | 117.4 | | |
| 484 | V | 26.5 | Very low | 29.7 | Very low | 136 Ų | 136 | 140.9 Ų | 140.9 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | | | | 44.9 | 128.5 | 124.8 | 179.9 | 0 | 0 | 0 | 0 | 118.2 | | |
| 485 | S | 25.6 | Very low | 29.7 | Very low | 99 Ų | 99 | 138.6 Ų | 138.6 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | | | cis | -177.6 | -167.4 | 6 | 52.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 486 | V | 29.8 | Very low | 29.4 | Very low | 120 Ų | 120 | 140 Ų | 140 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | 114.4 | 124.5 | 151.1 | -168.1 | 0 | 0 | 0 | 0 | 117.8 | | |
| 487 | T | 29.5 | Very low | 29.1 | Very low | 114 Ų | 114 | 135 Ų | 135 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | | | trans | 51.8 | 104.7 | 164.7 | 51.9 | 0 | 0 | 0 | 0 | 122.9 | | |
| 488 | Q | 28 | Very low | 29.5 | Very low | 177 Ų | 177 | 137 Ų | 137 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | | | | 26.5 | 116.8 | 117.7 | -62.6 | 170.2 | -58.4 | 0 | 0 | 119.8 | | |
| 489 | H | 32 | Very low | 29.8 | Very low | 189 Ų | 189 | 138 Ų | 138 | 88% | 0.875 | 76% | 0.759 | S | S | * | * | | | | -155.1 | 162.8 | 112 | -130.7 | -100.8 | 0 | 0 | 0 | 112.5 | | |
| 490 | N | 23.2 | Very low | 31.1 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 65% | 0.647 | 74% | 0.739 | S | S | * | * | | | trans | -93.4 | 147.8 | -177.2 | -153.5 | -30.3 | 0 | 0 | 0 | 110.4 | | |
| 491 | P | 36.1 | Very low | 31.7 | Very low | 124 Ų | 124 | 127.5 Ų | 127.5 | 81% | 0.805 | 72% | 0.721 | S | S | * | * | | | | -130.1 | 137.9 | 127.4 | 36 | -28.6 | 0 | 0 | 0 | 113.9 | | |
| 492 | K | 29.8 | Very low | 33.1 | Very low | 177 Ų | 177 | 126.9 Ų | 126.9 | 77% | 0.77 | 71% | 0.714 | S | S | * | * | | | trans | -83 | 154.6 | 173.5 | -91.7 | -177.3 | 174.7 | -178 | 0 | 111.7 | | |
| 493 | V | 26.2 | Very low | 34.6 | Very low | 117 Ų | 117 | 124.5 Ų | 124.5 | 71% | 0.709 | 70% | 0.701 | S | S | * | * | | | trans | 61.4 | 122.2 | 146.8 | 172.8 | 0 | 0 | 0 | 0 | 117.8 | | |
| 494 | L | 28.4 | Very low | 36.8 | Very low | 169 Ų | 169 | 121 Ų | 121 | 89% | 0.885 | 68% | 0.677 | S | S | * | * | | | trans | -153.3 | 86.6 | 130.1 | -110.9 | 174.4 | 0 | 0 | 0 | 109.5 | | |
| 495 | T | 28.7 | Very low | 39.2 | Very low | 121 Ų | 121 | 118.1 Ų | 118.1 | 74% | 0.742 | 66% | 0.659 | S | S | * | * | | | trans | -111.1 | 93 | 169.4 | 49 | 0 | 0 | 0 | 0 | 107.9 | S497 | T495-S497 PolarHBondContact O-N 3.32Š|
| 496 | S | 27 | Very low | 41.5 | Very low | 121 Ų | 121 | 118.7 Ų | 118.7 | 85% | 0.846 | 65% | 0.651 | S | S | * | * | | | trans | -70.8 | 107.2 | -176.5 | 53.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 497 | S | 27.6 | Very low | 43.6 | Very low | 90 Ų | 90 | 116.4 Ų | 116.4 | 63% | 0.629 | 63% | 0.634 | S | S | * | * | | | trans | -155.5 | 125.8 | 179.3 | -169.3 | 0 | 0 | 0 | 0 | 111.7 | T495 | T495-S497 PolarHBondContact O-N 3.32Š|
| 498 | I | 35.5 | Very low | 46.3 | Very low | 141 Ų | 141 | 111.6 Ų | 111.6 | 72% | 0.723 | 60% | 0.604 | S | S | * | * | | | trans | 49.7 | 84 | 158.9 | -49 | 161.5 | 0 | 0 | 0 | 115.6 | | |
| 499 | E | 39.9 | Very low | 48.9 | Very low | 147 Ų | 147 | 107.7 Ų | 107.7 | 69% | 0.687 | 59% | 0.589 | S | S | * | * | | | trans | -134.2 | -8.5 | 178.1 | -153.9 | 157.3 | -132.4 | 0 | 0 | 115.6 | N501 N502 | E499-N501 VanDerWaalsContact C-N 3.3Å; E499-N501 PolarHBondContact O-N 3.3Å; E499-N502 PolarHBondContact O-N 3.06Å |
| 500 | S | 49.9 | Very low | 51.3 | Low | 69 Ų | 69 | 104.5 Ų | 104.5 | 48% | 0.483 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.1 | -19.7 | -176.2 | 51.7 | 0 | 0 | 0 | 0 | 115.7 | | |
| 501 | N | 50.6 | Low | 54.1 | Low | 59 Ų | 59 | 101.5 Ų | 101.5 | 32% | 0.316 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -77.3 | -39.8 | 179.6 | -74.9 | -58.4 | 0 | 0 | 0 | 113.3 | E499 V505 K531 | E499-N501 VanDerWaalsContact C-N 3.3Å; E499-N501 PolarHBondContact O-N 3.3Å; N501-V505 WeakPolarHBondContact O-CG2 3.42Å; N501-V505 PolarHBondContact O-N 3.16Å; N501-K531 WeakPolarHBondContact OD1-CE 3.4Å; N501-K531 PolarHBondContact OD1-NZ 2.86Å |
| 502 | N | 58.1 | Low | 56.3 | Low | 105 Ų | 105 | 103 Ų | 103 | 56% | 0.561 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.1 | -43.2 | -169.3 | -63.5 | -11.4 | 0 | 0 | 0 | 110.5 | E499 L504 V505 E506 | E499-N502 PolarHBondContact O-N 3.06Å; N502-L504 PolarHBondContact O-N 3.21Å; N502-V505 PolarHBondContact O-N 2.6Å; N502-E506 VanDerWaalsContact O-CB 3.27Å; N502-E506 WeakPolarHBondContact O-CB 3.28Å; N502-E506 PolarHBondContact O-N 3.48Å |
| 503 | L | 65 | Low | 58.7 | Low | 115 Ų | 115 | 102 Ų | 102 | 60% | 0.602 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -59.2 | -40.6 | -179 | -64.2 | 176.8 | 0 | 0 | 0 | 113.2 | L507 | L503-L507 WeakPolarHBondContact O-CB 2.93Å; L503-L507 PolarHBondContact O-N 3.32Å |
| 504 | L | 75.7 | Confident | 61.1 | Low | 30 Ų | 30 | 103.4 Ų | 103.4 | 16% | 0.157 | 56% | 0.555 | C | S | . | * | H | α-helix | trans | -69.8 | -44.7 | 177 | -170.6 | 78.3 | 0 | 0 | 0 | 111.6 | N502 E506 L507 I508 L523 N527 | N502-L504 PolarHBondContact O-N 3.21Å; L504-E506 VanDerWaalsContact C-N 3.29Å; L504-E506 PolarHBondContact O-N 3.47Å; L504-L507 PolarHBondContact O-N 3.45Å; L504-I508 HydrophobicContact CD1-CD1 4.41Å; L504-I508 HydrophobicContact CD2-CD1 3.88Å; L504-I508 HydrophobicContact CG-CD1 3.76Å; L504-I508 HydrophobicContact CG-CG1 4.26Å; L504-I508 WeakPolarHBondContact O-CB 3.33Å; L504-I508 WeakPolarHBondContact O-CG1 3.45Å; L504-I508 PolarHBondContact O-N 3.16Å; L504-L523 HydrophobicContact CD1-CB 4.3Å; L504-L523 HydrophobicContact CD1-CD2 4.34Å; L504-L523 WeakPolarHBondContact CD2-O 3.5Å; L504-N527 HydrophobicContact CD2-CB 3.63Å |
| 505 | V | 76.1 | Confident | 63.7 | Low | 76 Ų | 76 | 97.2 Ų | 97.2 | 46% | 0.461 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | -179.8 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | N501 N502 N509 | N501-V505 WeakPolarHBondContact O-CG2 3.42Å; N501-V505 PolarHBondContact O-N 3.16Å; N502-V505 PolarHBondContact O-N 2.6Å; V505-N509 VanDerWaalsContact O-CB 3.3Å; V505-N509 WeakPolarHBondContact O-CB 3.46Å; V505-N509 PolarHBondContact O-N 3.37Å; V505-N509 PolarHBondContact O-ND2 3.32Å; V505-N509 VanDerWaalsContact O-ND2 3.14Å |
| 506 | E | 73.9 | Confident | 66.5 | Low | 110 Ų | 110 | 95.1 Ų | 95.1 | 51% | 0.514 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.2 | -43.6 | 175 | -174.8 | 165.2 | -157.1 | 0 | 0 | 112.1 | N502 L504 N509 N510 | N502-E506 VanDerWaalsContact O-CB 3.27Å; N502-E506 WeakPolarHBondContact O-CB 3.28Å; N502-E506 PolarHBondContact O-N 3.48Å; L504-E506 VanDerWaalsContact C-N 3.29Å; L504-E506 PolarHBondContact O-N 3.47Å; E506-N509 PolarHBondContact O-N 2.99Å; E506-N510 WeakPolarHBondContact CG-ND2 3.4Å; E506-N510 VanDerWaalsContact O-CB 3.29Å; E506-N510 WeakPolarHBondContact O-CB 3.38Å; E506-N510 PolarHBondContact O-N 2.83Å; E506-N510 PolarHBondContact O-ND2 2.88Å |
| 507 | L | 74.9 | Confident | 69.1 | Low | 73 Ų | 73 | 95.3 Ų | 95.3 | 38% | 0.382 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.9 | -37.8 | 178.5 | -164.6 | 154 | 0 | 0 | 0 | 112.2 | L503 L504 N511 | L503-L507 WeakPolarHBondContact O-CB 2.93Å; L503-L507 PolarHBondContact O-N 3.32Å; L504-L507 PolarHBondContact O-N 3.45Å; L507-N511 WeakPolarHBondContact O-CB 2.99Å; L507-N511 PolarHBondContact O-N 2.96Å; L507-N511 PolarHBondContact O-ND2 2.88Å |
| 508 | I | 86 | Confident | 71.7 | Confident | 12 Ų | 12 | 96.9 Ų | 96.9 | 6% | 0.062 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -63.4 | -48.9 | 170.7 | -72.7 | 169.7 | 0 | 0 | 0 | 110.3 | L504 N510 N511 R512 I520 L523 | L504-I508 HydrophobicContact CD1-CD1 4.41Å; L504-I508 HydrophobicContact CD2-CD1 3.88Å; L504-I508 HydrophobicContact CG-CD1 3.76Å; L504-I508 HydrophobicContact CG-CG1 4.26Å; L504-I508 WeakPolarHBondContact O-CB 3.33Å; L504-I508 WeakPolarHBondContact O-CG1 3.45Å; L504-I508 PolarHBondContact O-N 3.16Å; I508-N510 PolarHBondContact O-N 2.73Å; I508-N511 CarbonylContact O-C 3.55Å; I508-N511 PolarHBondContact O-N 2.92Å; I508-R512 WeakPolarHBondContact O-CA 3.06Å; I508-R512 WeakPolarHBondContact O-CB 3.25Å; I508-R512 PolarHBondContact O-N 3.47Å; I508-I520 HydrophobicContact CD1-CG2 4.44Å; I508-I520 HydrophobicContact CG2-CD1 4.23Å; I508-I520 HydrophobicContact CG2-CG1 4.1Å; I508-I520 HydrophobicContact CG2-CG2 4.17Å; I508-L523 HydrophobicContact CD1-CB 4.15Å; I508-L523 HydrophobicContact CG1-CD1 4.06Å |
| 509 | N | 81.9 | Confident | 74 | Confident | 96 Ų | 96 | 91.6 Ų | 91.6 | 51% | 0.513 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | -179 | -77.2 | -28.5 | 0 | 0 | 0 | 112.2 | V505 E506 N511 R512 | V505-N509 VanDerWaalsContact O-CB 3.3Å; V505-N509 WeakPolarHBondContact O-CB 3.46Å; V505-N509 PolarHBondContact O-N 3.37Å; V505-N509 PolarHBondContact O-ND2 3.32Å; V505-N509 VanDerWaalsContact O-ND2 3.14Å; E506-N509 PolarHBondContact O-N 2.99Å; N509-N511 VanDerWaalsContact C-N 3.29Å; N509-N511 PolarHBondContact O-N 3.11Å; N509-R512 PolarHBondContact O-N 3.14Å |
| 510 | N | 83.5 | Confident | 76.2 | Confident | 121 Ų | 121 | 85.9 Ų | 85.9 | 65% | 0.647 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -67.1 | -27.6 | -179.9 | -71.5 | -23.6 | 0 | 0 | 0 | 113 | E506 I508 | E506-N510 WeakPolarHBondContact CG-ND2 3.4Å; E506-N510 VanDerWaalsContact O-CB 3.29Å; E506-N510 WeakPolarHBondContact O-CB 3.38Å; E506-N510 PolarHBondContact O-N 2.83Å; E506-N510 PolarHBondContact O-ND2 2.88Å; I508-N510 PolarHBondContact O-N 2.73Å |
| 511 | N | 81.4 | Confident | 77.8 | Confident | 59 Ų | 59 | 89.3 Ų | 89.3 | 32% | 0.316 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -108.1 | 9.3 | -179.3 | -64.5 | -78.9 | 0 | 0 | 0 | 113.8 | L507 I508 N509 N513 M514 L515 | L507-N511 WeakPolarHBondContact O-CB 2.99Å; L507-N511 PolarHBondContact O-N 2.96Å; L507-N511 PolarHBondContact O-ND2 2.88Å; I508-N511 CarbonylContact O-C 3.55Å; I508-N511 PolarHBondContact O-N 2.92Å; N509-N511 VanDerWaalsContact C-N 3.29Å; N509-N511 PolarHBondContact O-N 3.11Å; N511-N513 PolarHBondContact O-N 3.3Å; N511-M514 PolarHBondContact O-N 3.46Å; N511-L515 HydrophobicContact CB-CD1 4.06Å; N511-L515 HydrophobicContact CB-CG 4.32Å; N511-L515 PolarHBondContact O-N 3.29Å |
| 512 | R | 82.8 | Confident | 79.4 | Confident | 154 Ų | 154 | 90.6 Ų | 90.6 | 58% | 0.581 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -25.1 | -169.7 | -162.9 | 174.6 | -178.5 | -166.8 | -0.7 | 114.6 | I508 N509 M514 I520 | I508-R512 WeakPolarHBondContact O-CA 3.06Å; I508-R512 WeakPolarHBondContact O-CB 3.25Å; I508-R512 PolarHBondContact O-N 3.47Å; N509-R512 PolarHBondContact O-N 3.14Å; R512-M514 VanDerWaalsContact C-N 3.27Å; R512-M514 PolarHBondContact O-N 3.17Å; R512-I520 HydrophobicContact CG-CD1 4.28Å |
| 513 | N | 80.2 | Confident | 80.5 | Confident | 156 Ų | 156 | 86.2 Ų | 86.2 | 83% | 0.834 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -13.5 | 177 | -60.8 | -20 | 0 | 0 | 0 | 113.6 | N511 | N511-N513 PolarHBondContact O-N 3.3Š|
| 514 | M | 76.2 | Confident | 81.3 | Confident | 147 Ų | 147 | 84.2 Ų | 84.2 | 72% | 0.724 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.9 | -1.1 | -175.2 | -58.5 | -78.6 | 84.9 | 0 | 0 | 113.2 | N511 R512 | N511-M514 PolarHBondContact O-N 3.46Å; R512-M514 VanDerWaalsContact C-N 3.27Å; R512-M514 PolarHBondContact O-N 3.17Å |
| 515 | L | 84.1 | Confident | 81.4 | Confident | 39 Ų | 39 | 89.5 Ų | 89.5 | 20% | 0.204 | 45% | 0.449 | C | S | . | . | | | trans | -111.2 | 137.1 | 178.8 | -63.3 | 171.9 | 0 | 0 | 0 | 109.2 | N511 D519 I520 L523 | N511-L515 HydrophobicContact CB-CD1 4.06Å; N511-L515 HydrophobicContact CB-CG 4.32Å; N511-L515 PolarHBondContact O-N 3.29Å; L515-D519 HydrophobicContact CB-CB 4.21Å; L515-D519 HydrophobicContact CD2-CB 3.99Å; L515-I520 HydrophobicContact CB-CD1 4.34Å; L515-I520 HydrophobicContact CB-CG1 3.99Å; L515-I520 HydrophobicContact CD1-CG1 4.32Å; L515-L523 HydrophobicContact CD1-CD1 4.08Å; L515-L523 HydrophobicContact CD2-CD1 4.31Å |
| 516 | T | 87.2 | Confident | 81.2 | Confident | 78 Ų | 78 | 89.8 Ų | 89.8 | 48% | 0.479 | 45% | 0.448 | S | S | . | . | | | trans | -80.8 | 163.6 | 167.8 | 67.4 | 0 | 0 | 0 | 0 | 110.5 | N518 D519 I520 | T516-N518 PolarHBondContact O-N 2.87Å; T516-D519 WeakPolarHBondContact CB-OD2 3.12Å; T516-D519 PolarHBondContact N-OD2 2.99Å; T516-D519 WeakPolarHBondContact O-CB 3.31Å; T516-D519 PolarHBondContact O-N 3.42Å; T516-D519 VanDerWaalsContact OG1-CG 3.26Å; T516-D519 PolarHBondContact OG1-N 3.2Å; T516-D519 PolarHBondContact OG1-OD2 3.44Å; T516-I520 WeakPolarHBondContact O-CG1 3.07Å; T516-I520 PolarHBondContact O-N 3.32Å |
| 517 | D | 80.6 | Confident | 81.4 | Confident | 125 Ų | 125 | 85.4 Ų | 85.4 | 67% | 0.668 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -59.1 | -32.2 | 175.5 | -64.1 | -57.3 | 0 | 0 | 0 | 112 | I520 E521 | D517-I520 PolarHBondContact O-N 3Å; D517-E521 PolarHBondContact O-N 3.5Å |
| 518 | N | 83.5 | Confident | 81.1 | Confident | 123 Ų | 123 | 86.3 Ų | 86.3 | 66% | 0.658 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65.7 | -39.5 | 173.1 | -67.1 | 10 | 0 | 0 | 0 | 112.5 | T516 I520 E521 M522 | T516-N518 PolarHBondContact O-N 2.87Å; N518-I520 VanDerWaalsContact C-N 3.3Å; N518-E521 PolarHBondContact O-N 3.48Å; N518-M522 WeakPolarHBondContact O-CB 3.45Å; N518-M522 PolarHBondContact O-N 3.33Å |
| 519 | D | 83.6 | Confident | 80.1 | Confident | 29 Ų | 29 | 89 Ų | 89 | 16% | 0.155 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -65 | -39.2 | 175.3 | -60.2 | -61.5 | 0 | 0 | 0 | 110.5 | L515 T516 M522 L523 | L515-D519 HydrophobicContact CB-CB 4.21Å; L515-D519 HydrophobicContact CD2-CB 3.99Å; T516-D519 WeakPolarHBondContact CB-OD2 3.12Å; T516-D519 PolarHBondContact N-OD2 2.99Å; T516-D519 WeakPolarHBondContact O-CB 3.31Å; T516-D519 PolarHBondContact O-N 3.42Å; T516-D519 VanDerWaalsContact OG1-CG 3.26Å; T516-D519 PolarHBondContact OG1-N 3.2Å; T516-D519 PolarHBondContact OG1-OD2 3.44Å; D519-M522 PolarHBondContact O-N 3.19Å; D519-L523 WeakPolarHBondContact O-CB 3.38Å; D519-L523 WeakPolarHBondContact O-CG 3.35Å; D519-L523 PolarHBondContact O-N 3.08Å |
| 520 | I | 86 | Confident | 79.2 | Confident | 27 Ų | 27 | 89.7 Ų | 89.7 | 14% | 0.138 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -66.9 | -41.3 | 176.8 | -65 | 173.2 | 0 | 0 | 0 | 110.9 | I508 R512 L515 T516 D517 N518 N524 | I508-I520 HydrophobicContact CD1-CG2 4.44Å; I508-I520 HydrophobicContact CG2-CD1 4.23Å; I508-I520 HydrophobicContact CG2-CG1 4.1Å; I508-I520 HydrophobicContact CG2-CG2 4.17Å; R512-I520 HydrophobicContact CG-CD1 4.28Å; L515-I520 HydrophobicContact CB-CD1 4.34Å; L515-I520 HydrophobicContact CB-CG1 3.99Å; L515-I520 HydrophobicContact CD1-CG1 4.32Å; T516-I520 WeakPolarHBondContact O-CG1 3.07Å; T516-I520 PolarHBondContact O-N 3.32Å; D517-I520 PolarHBondContact O-N 3Å; N518-I520 VanDerWaalsContact C-N 3.3Å; I520-N524 PolarHBondContact O-N 3.18Å; I520-N524 PolarHBondContact O-ND2 3.24Å |
| 521 | E | 82.9 | Confident | 78.5 | Confident | 141 Ų | 141 | 87.2 Ų | 87.2 | 66% | 0.659 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62.7 | -47.9 | 174.3 | -173.9 | 172.2 | -159.5 | 0 | 0 | 111.2 | D517 N518 L523 N524 Y525 | D517-E521 PolarHBondContact O-N 3.5Å; N518-E521 PolarHBondContact O-N 3.48Å; E521-L523 PolarHBondContact O-N 2.86Å; E521-N524 PolarHBondContact O-N 3.14Å; E521-Y525 WeakPolarHBondContact O-CB 3.5Å; E521-Y525 PolarHBondContact O-N 3.45Å |
| 522 | M | 83.6 | Confident | 77.3 | Confident | 86 Ų | 86 | 88.3 Ų | 88.3 | 42% | 0.424 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 176.9 | -178.8 | 177.4 | 63.3 | 0 | 0 | 112.4 | N518 D519 N524 Y525 L526 | N518-M522 WeakPolarHBondContact O-CB 3.45Å; N518-M522 PolarHBondContact O-N 3.33Å; D519-M522 PolarHBondContact O-N 3.19Å; M522-N524 PolarHBondContact O-N 3.3Å; M522-Y525 PolarHBondContact O-N 3.03Å; M522-L526 HydrophobicContact CG-CD1 4.16Å; M522-L526 WeakPolarHBondContact O-CG 3.15Å; M522-L526 PolarHBondContact O-N 3.06Å |
| 523 | L | 82 | Confident | 75.6 | Confident | 13 Ų | 13 | 86.4 Ų | 86.4 | 7% | 0.068 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 177.1 | -76.5 | 170.2 | 0 | 0 | 0 | 112.3 | F301 L504 I508 L515 D519 E521 N527 | F301-L523 HydrophobicContact CD2-CD2 4.2Å; F301-L523 HydrophobicContact CE2-CD2 3.75Å; L504-L523 HydrophobicContact CD1-CB 4.3Å; L504-L523 HydrophobicContact CD1-CD2 4.34Å; L504-L523 WeakPolarHBondContact CD2-O 3.5Å; I508-L523 HydrophobicContact CD1-CB 4.15Å; I508-L523 HydrophobicContact CG1-CD1 4.06Å; L515-L523 HydrophobicContact CD1-CD1 4.08Å; L515-L523 HydrophobicContact CD2-CD1 4.31Å; D519-L523 WeakPolarHBondContact O-CB 3.38Å; D519-L523 WeakPolarHBondContact O-CG 3.35Å; D519-L523 PolarHBondContact O-N 3.08Å; E521-L523 PolarHBondContact O-N 2.86Å; L523-N527 PolarHBondContact O-N 3.33Å |
| 524 | N | 82.2 | Confident | 73.8 | Confident | 74 Ų | 74 | 84.1 Ų | 84.1 | 40% | 0.396 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -67.8 | -38.6 | 175.5 | -79.7 | -68 | 0 | 0 | 0 | 112.2 | I520 E521 M522 N527 L528 | I520-N524 PolarHBondContact O-N 3.18Å; I520-N524 PolarHBondContact O-ND2 3.24Å; E521-N524 PolarHBondContact O-N 3.14Å; M522-N524 PolarHBondContact O-N 3.3Å; N524-N527 PolarHBondContact O-N 2.9Å; N524-L528 PolarHBondContact O-N 2.73Å |
| 525 | Y | 77.2 | Confident | 72.2 | Confident | 140 Ų | 140 | 81.2 Ų | 81.2 | 55% | 0.549 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.5 | -46.7 | 174.5 | -174.1 | -85.3 | 0 | 0 | 0 | 111.6 | E521 M522 N527 L528 D529 | E521-Y525 WeakPolarHBondContact O-CB 3.5Å; E521-Y525 PolarHBondContact O-N 3.45Å; M522-Y525 PolarHBondContact O-N 3.03Å; Y525-N527 VanDerWaalsContact C-N 3.3Å; Y525-N527 PolarHBondContact O-N 3.13Å; Y525-L528 WeakPolarHBondContact O-CA 3.27Å; Y525-L528 WeakPolarHBondContact O-CB 3.27Å; Y525-L528 PolarHBondContact O-N 2.95Å; Y525-D529 WeakPolarHBondContact CE1-OD2 3.46Å; Y525-D529 PolarHBondContact O-N 2.99Å |
| 526 | L | 72.2 | Confident | 70.1 | Confident | 83 Ų | 83 | 84.9 Ų | 84.9 | 44% | 0.435 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.3 | -35.1 | 177.3 | -71.8 | 168.6 | 0 | 0 | 0 | 113 | M522 L530 | M522-L526 HydrophobicContact CG-CD1 4.16Å; M522-L526 WeakPolarHBondContact O-CG 3.15Å; M522-L526 PolarHBondContact O-N 3.06Å; L526-L530 WeakPolarHBondContact O-CB 3.47Å; L526-L530 WeakPolarHBondContact O-CG 3.44Å; L526-L530 PolarHBondContact O-N 3.37Å |
| 527 | N | 77.2 | Confident | 67.8 | Low | 18 Ų | 18 | 85.9 Ų | 85.9 | 10% | 0.096 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -73.3 | -31.8 | 173.1 | 176.3 | 26.5 | 0 | 0 | 0 | 112.8 | L504 L523 N524 Y525 K531 | L504-N527 HydrophobicContact CD2-CB 3.63Å; L523-N527 PolarHBondContact O-N 3.33Å; N524-N527 PolarHBondContact O-N 2.9Å; Y525-N527 VanDerWaalsContact C-N 3.3Å; Y525-N527 PolarHBondContact O-N 3.13Å; N527-K531 WeakPolarHBondContact O-CD 3.46Å; N527-K531 VanDerWaalsContact O-CG 3.28Å; N527-K531 WeakPolarHBondContact O-CG 3.5Å; N527-K531 PolarHBondContact O-N 3.37Å; N527-K531 WeakPolarHBondContact OD1-CE 3.44Å |
| 528 | L | 69.4 | Low | 65.7 | Low | 91 Ų | 91 | 84.4 Ų | 84.4 | 48% | 0.476 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 170.6 | -173 | 60.7 | 0 | 0 | 0 | 110.9 | N524 Y525 K531 N532 | N524-L528 PolarHBondContact O-N 2.73Å; Y525-L528 WeakPolarHBondContact O-CA 3.27Å; Y525-L528 WeakPolarHBondContact O-CB 3.27Å; Y525-L528 PolarHBondContact O-N 2.95Å; L528-K531 WeakPolarHBondContact O-CB 3.37Å; L528-K531 PolarHBondContact O-N 3.35Å; L528-N532 PolarHBondContact O-N 3.32Å; L528-N532 PolarHBondContact O-ND2 2.76Å; L528-N532 VanDerWaalsContact O-ND2 3.13Å |
| 529 | D | 64.7 | Low | 63.3 | Low | 70 Ų | 70 | 84 Ų | 84 | 37% | 0.374 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.1 | -37.9 | 175.6 | -84.4 | -9.8 | 0 | 0 | 0 | 113.1 | Y525 K531 N532 L533 | Y525-D529 WeakPolarHBondContact CE1-OD2 3.46Å; Y525-D529 PolarHBondContact O-N 2.99Å; D529-K531 VanDerWaalsContact C-N 3.33Å; D529-K531 PolarHBondContact O-N 2.92Å; D529-N532 WeakPolarHBondContact O-CB 3.34Å; D529-N532 PolarHBondContact O-N 3Å; D529-N532 PolarHBondContact OD1-ND2 3.2Å; D529-L533 WeakPolarHBondContact O-CB 3.39Å; D529-L533 PolarHBondContact O-N 3.12Å |
| 530 | L | 63.3 | Low | 60.6 | Low | 109 Ų | 109 | 87.5 Ų | 87.5 | 57% | 0.571 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.9 | -36.6 | 172.4 | -79.9 | 166.1 | 0 | 0 | 0 | 112.7 | L526 L533 L534 | L526-L530 WeakPolarHBondContact O-CB 3.47Å; L526-L530 WeakPolarHBondContact O-CG 3.44Å; L526-L530 PolarHBondContact O-N 3.37Å; L530-L533 PolarHBondContact O-N 3.29Å; L530-L534 WeakPolarHBondContact O-CB 3.41Å; L530-L534 PolarHBondContact O-N 3.39Å |
| 531 | K | 68.5 | Low | 57.8 | Low | 70 Ų | 70 | 93.8 Ų | 93.8 | 30% | 0.304 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.7 | -47.4 | 170.5 | -72.6 | 161.7 | -176 | 166.9 | 0 | 111.3 | N501 N527 L528 D529 L533 L534 C535 | N501-K531 WeakPolarHBondContact OD1-CE 3.4Å; N501-K531 PolarHBondContact OD1-NZ 2.86Å; N527-K531 WeakPolarHBondContact O-CD 3.46Å; N527-K531 VanDerWaalsContact O-CG 3.28Å; N527-K531 WeakPolarHBondContact O-CG 3.5Å; N527-K531 PolarHBondContact O-N 3.37Å; N527-K531 WeakPolarHBondContact OD1-CE 3.44Å; L528-K531 WeakPolarHBondContact O-CB 3.37Å; L528-K531 PolarHBondContact O-N 3.35Å; D529-K531 VanDerWaalsContact C-N 3.33Å; D529-K531 PolarHBondContact O-N 2.92Å; K531-L533 PolarHBondContact O-N 3.03Å; K531-L534 PolarHBondContact O-N 2.84Å; K531-C535 WeakPolarHBondContact O-CB 3.39Å; K531-C535 PolarHBondContact O-N 2.87Å; K531-C535 PolarHBondContact O-SG 3.37Å; K531-C535 VanDerWaalsContact O-SG 3.33Å |
| 532 | N | 56.3 | Low | 55.2 | Low | 81 Ų | 81 | 93.8 Ų | 93.8 | 43% | 0.433 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.2 | -39.2 | 177.5 | -65.6 | -30.7 | 0 | 0 | 0 | 111 | L528 D529 N536 | L528-N532 PolarHBondContact O-N 3.32Å; L528-N532 PolarHBondContact O-ND2 2.76Å; L528-N532 VanDerWaalsContact O-ND2 3.13Å; D529-N532 WeakPolarHBondContact O-CB 3.34Å; D529-N532 PolarHBondContact O-N 3Å; D529-N532 PolarHBondContact OD1-ND2 3.2Å; N532-N536 VanDerWaalsContact O-CG 3.26Å; N532-N536 PolarHBondContact O-N 2.95Å; N532-N536 PolarHBondContact O-ND2 3.17Å |
| 533 | L | 46.4 | Very low | 52.6 | Low | 115 Ų | 115 | 96.3 Ų | 96.3 | 60% | 0.602 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.9 | -49.3 | 175 | -150.8 | 75.8 | 0 | 0 | 0 | 112.1 | D529 L530 K531 N536 V537 | D529-L533 WeakPolarHBondContact O-CB 3.39Å; D529-L533 PolarHBondContact O-N 3.12Å; L530-L533 PolarHBondContact O-N 3.29Å; K531-L533 PolarHBondContact O-N 3.03Å; L533-N536 PolarHBondContact O-N 3.02Å; L533-V537 WeakPolarHBondContact O-CG2 3.36Å; L533-V537 PolarHBondContact O-N 3.25Å |
| 534 | L | 43 | Very low | 50 | Low | 107 Ų | 107 | 103.8 Ų | 103.8 | 56% | 0.56 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -71.6 | -33.6 | -174.4 | -160.8 | 70.5 | 0 | 0 | 0 | 113 | L530 K531 N536 V537 S538 | L530-L534 WeakPolarHBondContact O-CB 3.41Å; L530-L534 PolarHBondContact O-N 3.39Å; K531-L534 PolarHBondContact O-N 2.84Å; L534-N536 VanDerWaalsContact C-N 3.32Å; L534-N536 PolarHBondContact O-N 2.96Å; L534-V537 PolarHBondContact O-N 2.87Å; L534-S538 PolarHBondContact O-N 3.35Å; L534-S538 VanDerWaalsContact O-N 3.17Å; L534-S538 PolarHBondContact O-OG 3.42Å |
| 535 | C | 42.6 | Very low | 47.6 | Very low | 86 Ų | 86 | 107 Ų | 107 | 58% | 0.581 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.4 | -38.4 | 172.6 | -73.6 | 0 | 0 | 0 | 0 | 111.9 | K531 S538 | K531-C535 WeakPolarHBondContact O-CB 3.39Å; K531-C535 PolarHBondContact O-N 2.87Å; K531-C535 PolarHBondContact O-SG 3.37Å; K531-C535 VanDerWaalsContact O-SG 3.33Å; C535-S538 PolarHBondContact O-N 3.34Å |
| 536 | N | 39.2 | Very low | 45.3 | Very low | 116 Ų | 116 | 107 Ų | 107 | 62% | 0.62 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.2 | -41.7 | 176.7 | -68 | -26.5 | 0 | 0 | 0 | 111.9 | N532 L533 L534 S538 T539 | N532-N536 VanDerWaalsContact O-CG 3.26Å; N532-N536 PolarHBondContact O-N 2.95Å; N532-N536 PolarHBondContact O-ND2 3.17Å; L533-N536 PolarHBondContact O-N 3.02Å; L534-N536 VanDerWaalsContact C-N 3.32Å; L534-N536 PolarHBondContact O-N 2.96Å; N536-S538 PolarHBondContact O-N 3.39Å; N536-T539 PolarHBondContact O-OG1 2.92Å |
| 537 | V | 40.3 | Very low | 43.3 | Very low | 100 Ų | 100 | 107.8 Ų | 107.8 | 61% | 0.606 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -64.7 | -26.1 | 178 | 173.8 | 0 | 0 | 0 | 0 | 112.6 | L533 L534 T539 | L533-V537 WeakPolarHBondContact O-CG2 3.36Å; L533-V537 PolarHBondContact O-N 3.25Å; L534-V537 PolarHBondContact O-N 2.87Å; V537-T539 PolarHBondContact O-N 3.11Å; V537-T539 VanDerWaalsContact O-N 3.1Å |
| 538 | S | 35 | Very low | 40.9 | Very low | 94 Ų | 94 | 112.7 Ų | 112.7 | 66% | 0.657 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 8.4 | -176 | -60.1 | 0 | 0 | 0 | 0 | 115.2 | L534 C535 N536 | L534-S538 PolarHBondContact O-N 3.35Å; L534-S538 VanDerWaalsContact O-N 3.17Å; L534-S538 PolarHBondContact O-OG 3.42Å; C535-S538 PolarHBondContact O-N 3.34Å; N536-S538 PolarHBondContact O-N 3.39Å |
| 539 | T | 33.5 | Very low | 39.1 | Very low | 114 Ų | 114 | 116 Ų | 116 | 70% | 0.699 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | -4.8 | -176.6 | 60.5 | 0 | 0 | 0 | 0 | 115.2 | N536 V537 | N536-T539 PolarHBondContact O-OG1 2.92Å; V537-T539 PolarHBondContact O-N 3.11Å; V537-T539 VanDerWaalsContact O-N 3.1Å |
| 540 | T | 28.1 | Very low | 37.4 | Very low | 103 Ų | 103 | 117.9 Ų | 117.9 | 63% | 0.632 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -129.2 | 64.2 | -172 | 59 | 0 | 0 | 0 | 0 | 113.6 | | |
| 541 | N | 27.1 | Very low | 35.8 | Very low | 159 Ų | 159 | 118.6 Ų | 118.6 | 85% | 0.85 | 70% | 0.696 | S | S | * | * | | | trans | -165.2 | 81.1 | 164 | -104.3 | -31.9 | 0 | 0 | 0 | 113.8 | | |
| 542 | T | 28.5 | Very low | 33.8 | Very low | 140 Ų | 140 | 119.9 Ų | 119.9 | 86% | 0.859 | 71% | 0.714 | S | S | * | * | | | trans | -179.9 | 95.7 | 148.7 | 16.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 543 | T | 27.3 | Very low | 32.5 | Very low | 140 Ų | 140 | 122.2 Ų | 122.2 | 86% | 0.859 | 73% | 0.731 | S | S | * | * | | | trans | -174.3 | 98.6 | 155.5 | 6.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 544 | N | 27.9 | Very low | 31.7 | Very low | 170 Ų | 170 | 124.1 Ų | 124.1 | 91% | 0.909 | 74% | 0.742 | S | S | * | * | | | trans | 177 | 76.7 | 153.6 | -96.4 | -25.7 | 0 | 0 | 0 | 111.7 | | |
| 545 | T | 33 | Very low | 30.9 | Very low | 141 Ų | 141 | 124.1 Ų | 124.1 | 87% | 0.865 | 75% | 0.751 | S | S | * | * | | | trans | -137 | 125.8 | 156 | -52 | 0 | 0 | 0 | 0 | 108.7 | | |
| 546 | T | 28.8 | Very low | 30.9 | Very low | 140 Ų | 140 | 125.8 Ų | 125.8 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | | | trans | -73.4 | 127.4 | 179.1 | 21.5 | 0 | 0 | 0 | 0 | 112 | | |
| 547 | A | 29.1 | Very low | 30.5 | Very low | 99 Ų | 99 | 125.9 Ų | 125.9 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | -148 | 108.5 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 548 | V | 26.4 | Very low | 30 | Very low | 121 Ų | 121 | 128 Ų | 128 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | | | trans | -92.4 | 130.4 | 168.7 | 174.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 549 | H | 31.4 | Very low | 29.8 | Very low | 161 Ų | 161 | 130.8 Ų | 130.8 | 75% | 0.745 | 78% | 0.78 | S | S | * | * | | | trans | 168.6 | 109.7 | 133.4 | -94 | -70.5 | 0 | 0 | 0 | 113.9 | | |
| 550 | T | 29.8 | Very low | 29.8 | Very low | 110 Ų | 110 | 134.3 Ų | 134.3 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | | | trans | 46.4 | 93.1 | 136.6 | 54.6 | 0 | 0 | 0 | 0 | 121.8 | | |
| 551 | T | 29.5 | Very low | 30 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | | | | 44.7 | 111.9 | 116.2 | 57 | 0 | 0 | 0 | 0 | 123 | | |
| 552 | S | 26.9 | Very low | 30.2 | Very low | 98 Ų | 98 | 131 Ų | 131 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | | | | 80.1 | 135.4 | 118.9 | 72.1 | 0 | 0 | 0 | 0 | 124.4 | | |
| 553 | V | 28.2 | Very low | 30.4 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 79% | 0.788 | 78% | 0.783 | S | S | * | * | | | trans | 58.5 | 143.4 | 158.7 | -68.5 | 0 | 0 | 0 | 0 | 117.9 | | |
| 554 | D | 29.8 | Very low | 30.7 | Very low | 155 Ų | 155 | 129.6 Ų | 129.6 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | | | cis | -147.8 | -165.7 | 40.4 | -125.1 | -42.4 | 0 | 0 | 0 | 115.3 | | |
| 555 | S | 26.7 | Very low | 31 | Very low | 107 Ų | 107 | 127.7 Ų | 127.7 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | | | trans | -131.8 | -147.8 | -174.9 | -65.5 | 0 | 0 | 0 | 0 | 115.9 | | |
| 556 | P | 42.2 | Very low | 31.1 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | | | | -127.9 | 167.4 | -101.8 | 40.9 | -25.3 | 0 | 0 | 0 | 117.5 | | |
| 557 | S | 31.7 | Very low | 31.2 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | | | trans | 169.2 | 172.5 | 157.9 | 38.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 558 | L | 28.6 | Very low | 31.2 | Very low | 145 Ų | 145 | 132.1 Ų | 132.1 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | | | | -164 | 160.9 | -59.1 | -122.7 | 176.8 | 0 | 0 | 0 | 111.4 | | |
| 559 | H | 30.9 | Very low | 31.3 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | | | trans | 79.8 | 145.9 | 159.2 | -79 | -71.1 | 0 | 0 | 0 | 124.6 | | |
| 560 | H | 34.9 | Very low | 31 | Very low | 189 Ų | 189 | 131.4 Ų | 131.4 | 88% | 0.875 | 77% | 0.772 | S | S | * | * | | | trans | 64.3 | 125.8 | 168.6 | -64.1 | -75.8 | 0 | 0 | 0 | 119.9 | | |
| 561 | G | 31.1 | Very low | 31 | Very low | 68 Ų | 68 | 134.8 Ų | 134.8 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | | | cis | 156.8 | 146.7 | -16.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 562 | S | 30.7 | Very low | 30.8 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | | | trans | 60.6 | 145.3 | 157.4 | -93 | 0 | 0 | 0 | 0 | 120.2 | | |
| 563 | V | 34 | Very low | 30.8 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 67% | 0.673 | 78% | 0.784 | S | S | * | * | | | cis | -148.1 | 138.9 | 0.9 | -168.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 564 | N | 32.8 | Very low | 30.6 | Very low | 141 Ų | 141 | 137.1 Ų | 137.1 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | | | | 169.1 | 110.3 | 129.8 | -95.1 | -36.3 | 0 | 0 | 0 | 114.7 | | |
| 565 | N | 33.8 | Very low | 30.7 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 69% | 0.69 | 79% | 0.785 | S | S | * | * | | | trans | 30.2 | 105.1 | 137.8 | -53 | -17.8 | 0 | 0 | 0 | 119.5 | | |
| 566 | N | 35 | Very low | 30.7 | Very low | 161 Ų | 161 | 135.5 Ų | 135.5 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | | | | -169.5 | 117.3 | 104.8 | -93.5 | -30.1 | 0 | 0 | 0 | 114 | | |
| 567 | K | 31.4 | Very low | 30.2 | Very low | 194 Ų | 194 | 139 Ų | 139 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | | | trans | 33.9 | 141.5 | 151.1 | -110.8 | 179.9 | 179.3 | 179.5 | 0 | 123.6 | | |
| 568 | C | 28.8 | Very low | 29.9 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | | | trans | 80.7 | 114.7 | 154.4 | -60 | 0 | 0 | 0 | 0 | 118.6 | | |
| 569 | N | 28.4 | Very low | 30.1 | Very low | 165 Ų | 165 | 141.9 Ų | 141.9 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | | | trans | -154.1 | 142.1 | 156.6 | -151.2 | -4.3 | 0 | 0 | 0 | 109.3 | | |
| 570 | S | 26.6 | Very low | 30 | Very low | 103 Ų | 103 | 142 Ų | 142 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 65.7 | 145 | -176.9 | -158.4 | 0 | 0 | 0 | 0 | 118.2 | | |
| 571 | M | 28.4 | Very low | 29.6 | Very low | 180 Ų | 180 | 139 Ų | 139 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | | | trans | 56.8 | 128.3 | -175.4 | -48.7 | -59.4 | -75.9 | 0 | 0 | 115.1 | | |
| 572 | G | 25.4 | Very low | 29.6 | Very low | 61 Ų | 61 | 145.7 Ų | 145.7 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | | | cis | 123.7 | 74.6 | 7.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 573 | L | 26.5 | Very low | 29.6 | Very low | 162 Ų | 162 | 147 Ų | 147 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | | | trans | -163.4 | 127.1 | 166 | -88.7 | 132.5 | 0 | 0 | 0 | 106.7 | | |
| 574 | F | 24.6 | Very low | 29.4 | Very low | 178 Ų | 178 | 149.3 Ų | 149.3 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | | | | 79.5 | 97.3 | 69.5 | -92.7 | -76.9 | 0 | 0 | 0 | 115.2 | | |
| 575 | V | 31.3 | Very low | 29.1 | Very low | 142 Ų | 142 | 147.6 Ų | 147.6 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | | | trans | -154.3 | 104 | 136.2 | -178.1 | 0 | 0 | 0 | 0 | 104.2 | | |
| 576 | S | 26.7 | Very low | 29.1 | Very low | 86 Ų | 86 | 151.4 Ų | 151.4 | 60% | 0.601 | 80% | 0.795 | S | S | * | * | | | | 76.3 | 88.6 | 61.1 | -60.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 577 | Q | 32.9 | Very low | 28.9 | Very low | 193 Ų | 193 | 148.6 Ų | 148.6 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | | | trans | -150.9 | 131.8 | 133.6 | -116.3 | 171.3 | -0.4 | 0 | 0 | 109.4 | | |
| 578 | D | 25.7 | Very low | 28.8 | Very low | 152 Ų | 152 | 148.8 Ų | 148.8 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | | | trans | -74.6 | 174.7 | 174.4 | -48 | -93.3 | 0 | 0 | 0 | 109.3 | | |
| 579 | E | 31.8 | Very low | 28.8 | Very low | 172 Ų | 172 | 151.9 Ų | 151.9 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | | -139.7 | 150 | 53.1 | -61 | -167.2 | 151.7 | 0 | 0 | 114.3 | | |
| 580 | N | 29 | Very low | 29 | Very low | 155 Ų | 155 | 149.2 Ų | 149.2 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | | | trans | -121.6 | 168.7 | 153.4 | -95.7 | -69.1 | 0 | 0 | 0 | 107.6 | | |
| 581 | L | 27.8 | Very low | 29.1 | Very low | 124 Ų | 124 | 151 Ų | 151 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | | | trans | 75 | 145.4 | -157.1 | -65.4 | 75.3 | 0 | 0 | 0 | 109.9 | | |
| 582 | W | 29.3 | Very low | 29.1 | Very low | 210 Ų | 210 | 150.2 Ų | 150.2 | 80% | 0.795 | 78% | 0.783 | S | S | * | * | | | cis | -103.9 | 112.8 | 28.6 | -70.8 | 52.4 | 0 | 0 | 0 | 115.1 | H584 | W582-H584 AromaticContact CE3-CE1 3.4Å; W582-H584 VanDerWaalsContact CE3-CE1 3.4Å; W582-H584 AromaticContact CE3-ND1 3.53Å; W582-H584 AromaticContact CE3-NE2 3.9Å; W582-H584 AromaticContact CZ3-CE1 3.48Å; W582-H584 VanDerWaalsContact CZ3-CE1 3.48Å; W582-H584 WeakPolarHBondContact CZ3-CE1 3.4Å; W582-H584 AromaticContact CZ3-ND1 3.56Å |
| 583 | N | 30.4 | Very low | 29.2 | Very low | 149 Ų | 149 | 151.6 Ų | 151.6 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -105.5 | 134.5 | 131.1 | -103.2 | -41.2 | 0 | 0 | 0 | 106.4 | S585 | N583-S585 PolarHBondContact O-N 3.48Š|
| 584 | H | 29.9 | Very low | 29.4 | Very low | 161 Ų | 161 | 150.7 Ų | 150.7 | 75% | 0.745 | 78% | 0.779 | S | S | * | * | | | trans | -71.7 | 121.8 | -166.9 | -75.5 | -99.9 | 0 | 0 | 0 | 113.3 | W582 | W582-H584 AromaticContact CE3-CE1 3.4Å; W582-H584 VanDerWaalsContact CE3-CE1 3.4Å; W582-H584 AromaticContact CE3-ND1 3.53Å; W582-H584 AromaticContact CE3-NE2 3.9Å; W582-H584 AromaticContact CZ3-CE1 3.48Å; W582-H584 VanDerWaalsContact CZ3-CE1 3.48Å; W582-H584 WeakPolarHBondContact CZ3-CE1 3.4Å; W582-H584 AromaticContact CZ3-ND1 3.56Å |
| 585 | S | 27.4 | Very low | 29.6 | Very low | 105 Ų | 105 | 149.1 Ų | 149.1 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | trans | -129.7 | 144.1 | 155 | 65.8 | 0 | 0 | 0 | 0 | 109.4 | N583 | N583-S585 PolarHBondContact O-N 3.48Š|
| 586 | K | 32.9 | Very low | 29.6 | Very low | 209 Ų | 209 | 149.1 Ų | 149.1 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | | | trans | -97.8 | 134.8 | -176.6 | -84.4 | -173.9 | 176.3 | 178.9 | 0 | 111.9 | | |
| 587 | S | 32 | Very low | 29.8 | Very low | 102 Ų | 102 | 151.4 Ų | 151.4 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | | | trans | 77.3 | 91.5 | 144.9 | -167.9 | 0 | 0 | 0 | 0 | 119.5 | | |
| 588 | F | 28.6 | Very low | 29.9 | Very low | 197 Ų | 197 | 146.7 Ų | 146.7 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | | | trans | 60.3 | 122.5 | 131.7 | -78.1 | -81 | 0 | 0 | 0 | 121.4 | | |
| 589 | Q | 29.5 | Very low | 30.2 | Very low | 183 Ų | 183 | 147 Ų | 147 | 86% | 0.855 | 75% | 0.748 | S | S | * | * | | | trans | -126.7 | 147.7 | 149.8 | -170.8 | 178.4 | 34.9 | 0 | 0 | 107.6 | | |
| 590 | S | 31.7 | Very low | 30 | Very low | 109 Ų | 109 | 145 Ų | 145 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | | | trans | -146.3 | 147.5 | 169.7 | 55.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 591 | N | 29.7 | Very low | 30 | Very low | 141 Ų | 141 | 144.5 Ų | 144.5 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | | | trans | -89.4 | 165.8 | -164.4 | -60.9 | -55.9 | 0 | 0 | 0 | 113.6 | | |
| 592 | M | 28.7 | Very low | 30 | Very low | 163 Ų | 163 | 149.8 Ų | 149.8 | 80% | 0.803 | 75% | 0.75 | S | S | * | * | | | | -176.6 | 140.6 | 105.4 | -91.5 | -61.3 | -81.4 | 0 | 0 | 112.8 | | |
| 593 | S | 26.8 | Very low | 30.3 | Very low | 90 Ų | 90 | 148.3 Ų | 148.3 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | | | trans | 22.9 | 151.7 | 148.8 | -55.6 | 0 | 0 | 0 | 0 | 122.3 | | |
| 594 | L | 30 | Very low | 30.7 | Very low | 143 Ų | 143 | 146.7 Ų | 146.7 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | | | cis | -173.7 | 150.3 | 39.9 | -161 | 82.3 | 0 | 0 | 0 | 113.1 | | |
| 595 | M | 30.1 | Very low | 30.6 | Very low | 146 Ų | 146 | 143.5 Ų | 143.5 | 72% | 0.719 | 75% | 0.745 | S | S | * | * | | | trans | 67.1 | 139.4 | 145.9 | -90.8 | -180 | 156.4 | 0 | 0 | 126.6 | | |
| 596 | H | 31.7 | Very low | 30.9 | Very low | 141 Ų | 141 | 147.8 Ų | 147.8 | 65% | 0.653 | 75% | 0.754 | S | S | * | * | | | trans | 71.1 | 148.4 | 142 | -84.7 | -130.3 | 0 | 0 | 0 | 121 | | |
| 597 | E | 30.9 | Very low | 30.8 | Very low | 134 Ų | 134 | 143 Ų | 143 | 63% | 0.626 | 75% | 0.746 | S | S | * | * | | | cis | -162 | -178.8 | -11 | -137.1 | -163.1 | 113.7 | 0 | 0 | 114.4 | | |
| 598 | T | 33.1 | Very low | 31.2 | Very low | 94 Ų | 94 | 143.3 Ų | 143.3 | 58% | 0.577 | 75% | 0.746 | S | S | * | * | | | trans | -13.3 | 165.9 | 160.7 | 52.5 | 0 | 0 | 0 | 0 | 121.7 | | |
| 599 | Q | 33.8 | Very low | 31.3 | Very low | 158 Ų | 158 | 141.9 Ų | 141.9 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | | | cis | -171.8 | 174 | 4.2 | -111.9 | 173.8 | 84.8 | 0 | 0 | 108.4 | | |
| 600 | L | 27.8 | Very low | 31.4 | Very low | 132 Ų | 132 | 138.9 Ų | 138.9 | 69% | 0.691 | 74% | 0.736 | S | S | * | * | | | cis | -166.1 | 159.8 | -26.8 | -121.6 | 179.4 | 0 | 0 | 0 | 111 | | |
| 601 | L | 27.4 | Very low | 31.4 | Very low | 143 Ų | 143 | 139 Ų | 139 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | | | trans | 22.3 | 130.6 | 152.3 | -116.3 | 76 | 0 | 0 | 0 | 124.2 | | |
| 602 | R | 28.6 | Very low | 31.6 | Very low | 235 Ų | 235 | 139.1 Ų | 139.1 | 89% | 0.887 | 73% | 0.733 | S | S | * | * | | | | 167.7 | 153.7 | 113.2 | -96.2 | 179.2 | 179.5 | 172.8 | 1.6 | 117.5 | | |
| 603 | H | 34.6 | Very low | 31.8 | Very low | 180 Ų | 180 | 139 Ų | 139 | 83% | 0.833 | 74% | 0.735 | S | S | * | * | | | trans | -94.4 | -177.7 | 162.1 | -61.1 | -75.3 | 0 | 0 | 0 | 110 | | |
| 604 | P | 38.9 | Very low | 32.6 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | | | cis | -154.7 | 178.4 | 23.5 | 45.3 | -22.3 | 0 | 0 | 0 | 121.2 | | |
| 605 | S | 28.6 | Very low | 33.5 | Very low | 93 Ų | 93 | 137.7 Ų | 137.7 | 65% | 0.65 | 73% | 0.733 | S | S | * | * | | | trans | 39.4 | 132.8 | 142.6 | 67.5 | 0 | 0 | 0 | 0 | 124.8 | | |
| 606 | Q | 34.7 | Very low | 33.6 | Very low | 196 Ų | 196 | 139.8 Ų | 139.8 | 92% | 0.916 | 74% | 0.738 | S | S | * | * | | | | 174.8 | 169.6 | 111.3 | -93.2 | 175.3 | 29.3 | 0 | 0 | 113.8 | | |
| 607 | S | 30.1 | Very low | 33.9 | Very low | 107 Ų | 107 | 137.8 Ų | 137.8 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | | | trans | -129.6 | 166.7 | 179.7 | 68.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 608 | P | 39.2 | Very low | 34.1 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 71% | 0.708 | 74% | 0.743 | S | S | * | * | | | | -165.3 | 165.8 | 78.4 | 44.3 | -22.2 | 0 | 0 | 0 | 121.2 | | |
| 609 | Q | 31.5 | Very low | 34.2 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | trans | 63 | 146.2 | 135.4 | -77.3 | -172.1 | 42.6 | 0 | 0 | 128.3 | | |
| 610 | T | 31.1 | Very low | 34.1 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 73% | 0.73 | 75% | 0.754 | S | S | * | * | | | trans | 68.3 | 149.8 | 151.6 | 52.4 | 0 | 0 | 0 | 0 | 119.5 | | |
| 611 | T | 32 | Very low | 34.3 | Very low | 112 Ų | 112 | 142.6 Ų | 142.6 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | | | cis | -160.5 | 147.6 | -4 | 6.7 | 0 | 0 | 0 | 0 | 107.2 | | |
| 612 | N | 33.4 | Very low | 34.5 | Very low | 143 Ų | 143 | 141.2 Ų | 141.2 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | | | | -179.7 | 173.8 | 67.3 | -102.7 | -34.7 | 0 | 0 | 0 | 110.7 | | |
| 613 | L | 33 | Very low | 34.6 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | | | trans | -119.5 | -149.1 | 176.6 | -54.1 | 83.3 | 0 | 0 | 0 | 109.3 | | |
| 614 | P | 44.9 | Very low | 34.5 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | | | cis | -119.6 | -145.8 | -33.7 | 43.1 | -25.3 | 0 | 0 | 0 | 108.4 | | |
| 615 | P | 47.9 | Very low | 34.2 | Very low | 90 Ų | 90 | 136.2 Ų | 136.2 | 58% | 0.584 | 74% | 0.74 | S | S | * | * | | | cis | -126.7 | -154.3 | -18.7 | 37.4 | -16.3 | 0 | 0 | 0 | 112.2 | | |
| 616 | F | 33.6 | Very low | 34.3 | Very low | 189 Ų | 189 | 138.6 Ų | 138.6 | 83% | 0.829 | 75% | 0.746 | S | S | * | * | | | trans | 70.5 | 149.6 | 172.8 | -54.2 | -53.8 | 0 | 0 | 0 | 115.9 | | |
| 617 | S | 37.3 | Very low | 34.2 | Very low | 100 Ų | 100 | 135.4 Ų | 135.4 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | | | cis | -166.6 | 146.6 | -21.5 | 47.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 618 | S | 34 | Very low | 34.2 | Very low | 98 Ų | 98 | 136.2 Ų | 136.2 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | | | cis | 175.5 | 97.5 | -32.2 | 44.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 619 | K | 36.3 | Very low | 33.7 | Very low | 200 Ų | 200 | 135.9 Ų | 135.9 | 87% | 0.87 | 74% | 0.74 | S | S | * | * | | | trans | -179 | 105 | 157 | -101.1 | 163.3 | -175.7 | -178.6 | 0 | 105.8 | | |
| 620 | I | 31.5 | Very low | 33.8 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 68% | 0.677 | 74% | 0.742 | S | S | * | * | | | | 63.6 | 118.2 | 58.7 | -49.2 | 167.5 | 0 | 0 | 0 | 108.8 | | |
| 621 | F | 31.4 | Very low | 33.8 | Very low | 189 Ų | 189 | 134.2 Ų | 134.2 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | | | cis | -130.2 | 173 | 42.1 | -120.3 | -80.6 | 0 | 0 | 0 | 116.7 | | |
| 622 | L | 32.9 | Very low | 34.2 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 60% | 0.597 | 75% | 0.748 | S | S | * | * | | | trans | -66.4 | 149.2 | 178 | -71.1 | 83.8 | 0 | 0 | 0 | 112.4 | | |
| 623 | Q | 29.6 | Very low | 34.1 | Very low | 160 Ų | 160 | 133.4 Ų | 133.4 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | | | cis | 71.2 | 111.5 | 47.5 | -172.9 | -172.2 | 31.2 | 0 | 0 | 114.2 | | |
| 624 | H | 32.3 | Very low | 33.9 | Very low | 173 Ų | 173 | 131.8 Ų | 131.8 | 80% | 0.801 | 74% | 0.741 | S | S | * | * | | | trans | -172.8 | 172.6 | 135.5 | -99.3 | -61.9 | 0 | 0 | 0 | 110.2 | | |
| 625 | S | 32.5 | Very low | 33.4 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | | | trans | -136.9 | 144.1 | -150.4 | 56.1 | 0 | 0 | 0 | 0 | 116.3 | | |
| 626 | N | 32 | Very low | 32.7 | Very low | 144 Ų | 144 | 135.9 Ų | 135.9 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | | | trans | 81 | 138.9 | 150.6 | -64.1 | -4.5 | 0 | 0 | 0 | 121.6 | | |
| 627 | T | 31.6 | Very low | 32.6 | Very low | 129 Ų | 129 | 135 Ų | 135 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | | | trans | 77.3 | 107.3 | 146.1 | 43.6 | 0 | 0 | 0 | 0 | 122.9 | | |
| 628 | V | 30.8 | Very low | 32.3 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | | | | 86.1 | 88.3 | 126.8 | -178.1 | 0 | 0 | 0 | 0 | 120.4 | | |
| 629 | S | 29.2 | Very low | 32 | Very low | 102 Ų | 102 | 143.2 Ų | 143.2 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | | | | 79.7 | 157.9 | 126.9 | 81.8 | 0 | 0 | 0 | 0 | 123.5 | | |
| 630 | S | 32.7 | Very low | 31.5 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | | | trans | 81.8 | 117.9 | 169.3 | 66.9 | 0 | 0 | 0 | 0 | 119.4 | | |
| 631 | T | 30.1 | Very low | 31.3 | Very low | 135 Ų | 135 | 140.2 Ų | 140.2 | 83% | 0.828 | 75% | 0.754 | S | S | * | * | | | trans | -84.5 | 178.9 | 174.1 | 42 | 0 | 0 | 0 | 0 | 109.9 | | |
| 632 | P | 41 | Very low | 31 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 71% | 0.714 | 75% | 0.747 | S | S | * | * | | | cis | -158.9 | -173 | 38.3 | 45.9 | -22.6 | 0 | 0 | 0 | 120.7 | | |
| 633 | V | 31.6 | Very low | 30.7 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | | | trans | 70.7 | 130.6 | 149.2 | 153.9 | 0 | 0 | 0 | 0 | 117.1 | | |
| 634 | D | 29.7 | Very low | 30.7 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 68% | 0.679 | 75% | 0.753 | S | S | * | * | | | cis | -155.9 | 159.7 | -2.5 | -139.1 | -29.2 | 0 | 0 | 0 | 113 | | |
| 635 | I | 33.5 | Very low | 30.6 | Very low | 152 Ų | 152 | 132.7 Ų | 132.7 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | S | Bend | | 178.2 | 101.9 | 129.3 | -90 | 157.9 | 0 | 0 | 0 | 107.5 | | |
| 636 | M | 33.4 | Very low | 30.6 | Very low | 140 Ų | 140 | 137 Ų | 137 | 69% | 0.69 | 76% | 0.756 | S | S | * | * | | | trans | 39.5 | 131.3 | 150.1 | -61.5 | -160.2 | -68.8 | 0 | 0 | 120.2 | | |
| 637 | K | 31.6 | Very low | 30.7 | Very low | 172 Ų | 172 | 137.6 Ų | 137.6 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | | | cis | -162.2 | 147.2 | 9.3 | -128.4 | 167.2 | -178.8 | 174.7 | 0 | 112.2 | | |
| 638 | Y | 29.9 | Very low | 30.6 | Very low | 201 Ų | 201 | 137.6 Ų | 137.6 | 79% | 0.788 | 75% | 0.746 | S | S | * | * | | | trans | -4.9 | 149 | 145.8 | -67.3 | -97.7 | 0 | 0 | 0 | 119.1 | | |
| 639 | E | 28.4 | Very low | 30.7 | Very low | 168 Ų | 168 | 137 Ų | 137 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | | | cis | -170.1 | 172.7 | -16.5 | -163.8 | 158.9 | -133.2 | 0 | 0 | 107.8 | L641 | E639-L641 PolarHBondContact O-N 3.36Š|
| 640 | C | 25.3 | Very low | 30.5 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 81% | 0.811 | 75% | 0.747 | S | S | * | * | | | trans | -67.5 | 126.6 | -177.2 | -58.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 641 | L | 27.8 | Very low | 30.3 | Very low | 149 Ų | 149 | 141.8 Ų | 141.8 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | | | trans | -171 | 141.3 | 150.7 | -105.6 | 159.3 | 0 | 0 | 0 | 112 | E639 | E639-L641 PolarHBondContact O-N 3.36Š|
| 642 | N | 25.7 | Very low | 30.2 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 69% | 0.69 | 74% | 0.741 | S | S | * | * | | | trans | 35.2 | 132 | 155.9 | -61.7 | -11.3 | 0 | 0 | 0 | 122.6 | | |
| 643 | N | 25.1 | Very low | 29.6 | Very low | 137 Ų | 137 | 140 Ų | 140 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | | | trans | 53.1 | 113.1 | 143.1 | -53.7 | -8.8 | 0 | 0 | 0 | 119.9 | | |
| 644 | D | 30.7 | Very low | 29.6 | Very low | 136 Ų | 136 | 141.8 Ų | 141.8 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | | -162.4 | 145.5 | 98.6 | -98.5 | -19.4 | 0 | 0 | 0 | 109.4 | | |
| 645 | S | 30.6 | Very low | 29.7 | Very low | 77 Ų | 77 | 144.8 Ų | 144.8 | 54% | 0.538 | 76% | 0.758 | S | S | . | * | | | cis | 95.8 | 77 | 34.7 | -55.2 | 0 | 0 | 0 | 0 | 113.3 | K647 | S645-K647 PolarHBondContact O-N 2.94Š|
| 646 | D | 32 | Very low | 29.3 | Very low | 180 Ų | 180 | 146 Ų | 146 | 96% | 0.963 | 76% | 0.762 | S | S | * | * | | | trans | -68.1 | 99.9 | 158.3 | -86.8 | -40.3 | 0 | 0 | 0 | 109.9 | | |
| 647 | K | 33.2 | Very low | 29.1 | Very low | 157 Ų | 157 | 145.5 Ų | 145.5 | 68% | 0.683 | 76% | 0.761 | S | S | * | * | | | trans | -72.8 | 154.2 | 169.7 | -75.7 | -177.9 | 175.9 | 168.8 | 0 | 109.6 | S645 | S645-K647 PolarHBondContact O-N 2.94Š|
| 648 | L | 29.8 | Very low | 28.8 | Very low | 130 Ų | 130 | 145.8 Ų | 145.8 | 68% | 0.681 | 76% | 0.763 | S | S | * | * | | | cis | -168.7 | -178.7 | 0.8 | -104.8 | 167.6 | 0 | 0 | 0 | 105.2 | M650 | L648-M650 HydrophobicContact CD2-CG 4.11Š|
| 649 | P | 32.4 | Very low | 28.6 | Very low | 112 Ų | 112 | 141.9 Ų | 141.9 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | cis | -127.3 | 149.8 | 2.3 | 29.8 | -8.8 | 0 | 0 | 0 | 117.1 | | |
| 650 | M | 26.7 | Very low | 28.5 | Very low | 155 Ų | 155 | 139.7 Ų | 139.7 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | | | trans | 24.1 | 117.3 | 137.3 | -59.2 | 171.6 | 64.7 | 0 | 0 | 118.9 | L648 | L648-M650 HydrophobicContact CD2-CG 4.11Š|
| 651 | N | 28 | Very low | 28.6 | Very low | 164 Ų | 164 | 141.6 Ų | 141.6 | 88% | 0.877 | 75% | 0.748 | S | S | * | * | | | | -142.8 | 147.2 | 98.2 | -150.1 | -7 | 0 | 0 | 0 | 110.8 | | |
| 652 | S | 27 | Very low | 28.5 | Very low | 92 Ų | 92 | 139.8 Ų | 139.8 | 64% | 0.643 | 75% | 0.747 | S | S | * | * | | | trans | -136.9 | 104.7 | -175.2 | 64.2 | 0 | 0 | 0 | 0 | 112 | | |
| 653 | S | 29.1 | Very low | 28.6 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | | | trans | -171.1 | 115.5 | 150.6 | -82.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 654 | D | 31.8 | Very low | 28.7 | Very low | 164 Ų | 164 | 141 Ų | 141 | 88% | 0.877 | 75% | 0.752 | S | S | * | * | | | | -149.5 | 118.7 | 119.3 | -111 | -27.8 | 0 | 0 | 0 | 109.2 | | |
| 655 | K | 32.1 | Very low | 28.5 | Very low | 190 Ų | 190 | 141.4 Ų | 141.4 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | | | trans | -96.6 | 158.4 | 175.5 | -77.9 | -175.1 | 176.9 | -180 | 0 | 109.2 | I657 | K655-I657 PolarHBondContact O-N 3.49Å; K655-I657 VanDerWaalsContact O-N 3.08Å |
| 656 | M | 25.1 | Very low | 28.5 | Very low | 178 Ų | 178 | 141.3 Ų | 141.3 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | | | trans | -41.1 | 114.4 | 169.5 | -61 | 168.5 | 179 | 0 | 0 | 112.1 | | |
| 657 | I | 28.6 | Very low | 28.4 | Very low | 129 Ų | 129 | 139.5 Ų | 139.5 | 66% | 0.662 | 75% | 0.748 | S | S | * | * | | | trans | -108.1 | 100.3 | 161.1 | -59.8 | -178 | 0 | 0 | 0 | 107.4 | K655 N659 | K655-I657 PolarHBondContact O-N 3.49Å; K655-I657 VanDerWaalsContact O-N 3.08Å; I657-N659 HydrophobicContact CG2-CB 4.1Å; I657-N659 PolarHBondContact O-N 3.31Å |
| 658 | F | 24.6 | Very low | 28.4 | Very low | 179 Ų | 179 | 140 Ų | 140 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | | | trans | -62.3 | 113 | 157.6 | -85.6 | -94.2 | 0 | 0 | 0 | 107.7 | | |
| 659 | N | 26.2 | Very low | 28.4 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 63% | 0.631 | 77% | 0.766 | S | S | * | * | | | trans | -122.4 | 54.6 | 175 | -131.8 | -19.7 | 0 | 0 | 0 | 111 | I657 K661 | I657-N659 HydrophobicContact CG2-CB 4.1Å; I657-N659 PolarHBondContact O-N 3.31Å; N659-K661 PolarHBondContact O-N 2.83Å |
| 660 | T | 26 | Very low | 28.4 | Very low | 123 Ų | 123 | 148.5 Ų | 148.5 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | trans | -65.9 | 69.9 | 163.6 | 22.8 | 0 | 0 | 0 | 0 | 110.3 | C662 | T660-C662 VanDerWaalsContact C-N 3.35Å; T660-C662 PolarHBondContact O-N 3.18Å |
| 661 | K | 28.5 | Very low | 28.7 | Very low | 160 Ų | 160 | 147.1 Ų | 147.1 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | | | trans | -86.6 | 77.8 | 170.1 | -97.8 | -173.9 | 174.4 | -179.1 | 0 | 110.5 | N659 I663 | N659-K661 PolarHBondContact O-N 2.83Å; K661-I663 HydrophobicContact CB-CG1 4.21Å; K661-I663 PolarHBondContact O-N 3.4Å |
| 662 | C | 24.7 | Very low | 29 | Very low | 110 Ų | 110 | 144.9 Ų | 144.9 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | | | trans | -65.7 | 87.3 | 158.5 | -60.5 | 0 | 0 | 0 | 0 | 108.7 | T660 N664 | T660-C662 VanDerWaalsContact C-N 3.35Å; T660-C662 PolarHBondContact O-N 3.18Å; C662-N664 PolarHBondContact O-N 2.88Å |
| 663 | I | 28.9 | Very low | 29.2 | Very low | 131 Ų | 131 | 146.5 Ų | 146.5 | 67% | 0.672 | 76% | 0.757 | S | S | * | * | | | trans | -77.7 | 90.9 | 176.5 | -56.5 | -176.5 | 0 | 0 | 0 | 108.7 | K661 N665 | K661-I663 HydrophobicContact CB-CG1 4.21Å; K661-I663 PolarHBondContact O-N 3.4Å; I663-N665 VanDerWaalsContact C-N 3.31Å; I663-N665 HydrophobicContact CG2-CB 4.11Å; I663-N665 PolarHBondContact O-N 3.24Å |
| 664 | N | 25.6 | Very low | 29.3 | Very low | 160 Ų | 160 | 151.5 Ų | 151.5 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | | | trans | -63.4 | 92.6 | 158.5 | -77 | -30 | 0 | 0 | 0 | 108.5 | C662 | C662-N664 PolarHBondContact O-N 2.88Š|
| 665 | N | 27.8 | Very low | 29.3 | Very low | 145 Ų | 145 | 150.5 Ų | 150.5 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | | | trans | -96.3 | 96.2 | 174.8 | -160.2 | 9.2 | 0 | 0 | 0 | 110.4 | I663 | I663-N665 VanDerWaalsContact C-N 3.31Å; I663-N665 HydrophobicContact CG2-CB 4.11Å; I663-N665 PolarHBondContact O-N 3.24Å |
| 666 | A | 30.1 | Very low | 29.1 | Very low | 76 Ų | 76 | 145.9 Ų | 145.9 | 63% | 0.628 | 76% | 0.755 | S | S | * | * | | | trans | -96.2 | 132 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 667 | N | 30.5 | Very low | 29.2 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | | | trans | 66.7 | 105.9 | 170.5 | -51 | -47.9 | 0 | 0 | 0 | 117.3 | | |
| 668 | N | 32.6 | Very low | 29.2 | Very low | 168 Ų | 168 | 146.9 Ų | 146.9 | 90% | 0.898 | 77% | 0.765 | S | S | * | * | | | | -154.2 | 167.7 | 95.3 | -110.4 | -56.9 | 0 | 0 | 0 | 113.1 | | |
| 669 | K | 29.7 | Very low | 29.3 | Very low | 190 Ų | 190 | 143.8 Ų | 143.8 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | | | trans | -144.6 | 143.6 | -160.3 | 179.9 | 178.8 | -178.2 | 175.9 | 0 | 110.8 | | |
| 670 | R | 33 | Very low | 29.3 | Very low | 231 Ų | 231 | 146.7 Ų | 146.7 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | | | trans | 122.4 | 134.6 | -176.1 | -79.1 | 170.1 | 179.9 | 164.3 | 1.9 | 109.1 | | |
| 671 | N | 32.5 | Very low | 29.5 | Very low | 125 Ų | 125 | 147.1 Ų | 147.1 | 67% | 0.668 | 78% | 0.782 | S | S | * | * | | | cis | -145.6 | 169.7 | -2 | -89.5 | 13.5 | 0 | 0 | 0 | 106.6 | | |
| 672 | D | 33.4 | Very low | 29.4 | Very low | 117 Ų | 117 | 144.2 Ų | 144.2 | 63% | 0.626 | 78% | 0.782 | S | S | * | * | | | cis | -164.1 | 153.9 | -28.4 | -94.5 | -21 | 0 | 0 | 0 | 107.4 | | |
| 673 | N | 32 | Very low | 29.7 | Very low | 126 Ų | 126 | 144.9 Ų | 144.9 | 67% | 0.674 | 78% | 0.783 | S | S | * | * | | | trans | 52.5 | 105.4 | 158.6 | -56.2 | -30.8 | 0 | 0 | 0 | 120 | | |
| 674 | F | 31.8 | Very low | 29.9 | Very low | 221 Ų | 221 | 144.9 Ų | 144.9 | 97% | 0.969 | 78% | 0.784 | S | S | * | * | | | | -142 | 155 | 102.5 | -114.2 | -80.8 | 0 | 0 | 0 | 110 | | |
| 675 | I | 30.4 | Very low | 30 | Very low | 143 Ų | 143 | 145.6 Ų | 145.6 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | | | trans | -116.3 | 127.7 | -158.6 | -63.1 | 171.7 | 0 | 0 | 0 | 112.1 | | |
| 676 | A | 28.5 | Very low | 30.2 | Very low | 92 Ų | 92 | 143.5 Ų | 143.5 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | | | trans | -155 | 100.3 | 149.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 677 | S | 27.1 | Very low | 30.5 | Very low | 112 Ų | 112 | 146.7 Ų | 146.7 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | | | trans | -151 | 120 | 170.8 | -59.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 678 | F | 29.2 | Very low | 30.6 | Very low | 217 Ų | 217 | 142.2 Ų | 142.2 | 95% | 0.952 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 143.9 | 175.9 | -76.7 | -83.5 | 0 | 0 | 0 | 110.9 | | |
| 679 | S | 26.9 | Very low | 30.5 | Very low | 114 Ų | 114 | 146.6 Ų | 146.6 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 138.4 | -163.4 | -49.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 680 | L | 25.4 | Very low | 30.5 | Very low | 178 Ų | 178 | 142.9 Ų | 142.9 | 93% | 0.932 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 128.3 | 154 | -83.4 | 167.6 | 0 | 0 | 0 | 109.7 | | |
| 681 | T | 30.9 | Very low | 30.4 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 130.5 | 172.2 | 48 | 0 | 0 | 0 | 0 | 111.4 | | |
| 682 | S | 26.2 | Very low | 30.3 | Very low | 99 Ų | 99 | 140.8 Ų | 140.8 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 153.4 | 168.7 | -174.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 683 | V | 31.7 | Very low | 30.1 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 76% | 0.758 | 79% | 0.79 | S | S | * | * | | | | -176 | 113.5 | 111.2 | 152.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 684 | N | 32 | Very low | 30 | Very low | 131 Ų | 131 | 140 Ų | 140 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | | | trans | 36.7 | 132.4 | 145.8 | -51.9 | -16.5 | 0 | 0 | 0 | 122.1 | | |
| 685 | N | 29.2 | Very low | 29.9 | Very low | 175 Ų | 175 | 136 Ų | 136 | 94% | 0.936 | 78% | 0.783 | S | S | * | * | | | | -134.1 | 149.3 | 110.2 | -120 | -21.2 | 0 | 0 | 0 | 110.6 | | |
| 686 | S | 30.9 | Very low | 29.8 | Very low | 100 Ų | 100 | 134.3 Ų | 134.3 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | | | trans | -115.4 | 141.4 | -179.1 | -174.2 | 0 | 0 | 0 | 0 | 108 | | |
| 687 | T | 36.2 | Very low | 30 | Very low | 143 Ų | 143 | 136.6 Ų | 136.6 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | | | | -151.6 | 172.7 | 81.1 | 44 | 0 | 0 | 0 | 0 | 111.5 | | |
| 688 | G | 32 | Very low | 30 | Very low | 47 Ų | 47 | 137 Ų | 137 | 49% | 0.485 | 79% | 0.786 | S | S | . | * | | | cis | 148.8 | 115.4 | -7.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 689 | W | 30.6 | Very low | 30 | Very low | 261 Ų | 261 | 131.6 Ų | 131.6 | 99% | 0.989 | 77% | 0.774 | S | S | * | * | | | trans | 68.1 | 153.1 | 174.7 | -38.8 | -38.4 | 0 | 0 | 0 | 116.4 | | |
| 690 | S | 30.5 | Very low | 30 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | cis | -160 | 165.8 | -35.5 | 47.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 691 | T | 30.7 | Very low | 30.2 | Very low | 125 Ų | 125 | 131.5 Ų | 131.5 | 77% | 0.767 | 77% | 0.771 | S | S | * | * | | | trans | -51.9 | 137.7 | -179.7 | 43.7 | 0 | 0 | 0 | 0 | 116.2 | | |
| 692 | E | 31.4 | Very low | 30.2 | Very low | 188 Ų | 188 | 136.7 Ų | 136.7 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | | | | -179.9 | 165.7 | 119.6 | -96.4 | 166.3 | -147.3 | 0 | 0 | 108.5 | | |
| 693 | A | 28.6 | Very low | 30.5 | Very low | 76 Ų | 76 | 139.1 Ų | 139.1 | 63% | 0.628 | 78% | 0.781 | S | S | * | * | | | cis | 170.6 | 120.7 | -37.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 694 | I | 28.7 | Very low | 30.5 | Very low | 150 Ų | 150 | 141.6 Ų | 141.6 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | | | trans | 49.2 | 134.2 | 159.9 | 27.8 | 174.4 | 0 | 0 | 0 | 122.3 | | |
| 695 | N | 29.9 | Very low | 30.7 | Very low | 136 Ų | 136 | 142.9 Ų | 142.9 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | trans | 66.5 | 109.6 | 141 | -66.9 | -4.5 | 0 | 0 | 0 | 119 | | |
| 696 | S | 28.7 | Very low | 30.8 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | | | | 79.3 | 143.7 | 86.1 | 83.8 | 0 | 0 | 0 | 0 | 114 | | |
| 697 | L | 32.3 | Very low | 30.9 | Very low | 139 Ų | 139 | 145 Ų | 145 | 73% | 0.728 | 79% | 0.79 | S | S | * | * | | | cis | -171.6 | 147.3 | -13.4 | 179.8 | 77.6 | 0 | 0 | 0 | 106.3 | C699 | L697-C699 PolarHBondContact O-SG 3.06Å; L697-C699 VanDerWaalsContact O-SG 3.36Å |
| 698 | S | 28.7 | Very low | 30.7 | Very low | 121 Ų | 121 | 142 Ų | 142 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | | | trans | -124.5 | 95.5 | 160.1 | -62.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 699 | C | 28 | Very low | 30.9 | Very low | 103 Ų | 103 | 147.9 Ų | 147.9 | 70% | 0.696 | 79% | 0.789 | S | S | * | * | | | | 66.9 | 104.7 | 67.1 | -60.8 | 0 | 0 | 0 | 0 | 112.8 | L697 | L697-C699 PolarHBondContact O-SG 3.06Å; L697-C699 VanDerWaalsContact O-SG 3.36Å |
| 700 | D | 28.3 | Very low | 31.2 | Very low | 157 Ų | 157 | 140.7 Ų | 140.7 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | | | trans | -145.4 | 153.1 | 147.4 | -154.3 | -12.7 | 0 | 0 | 0 | 109 | | |
| 701 | T | 29.1 | Very low | 31.5 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | trans | 108.3 | 89.1 | -169.9 | 59.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 702 | R | 30.8 | Very low | 31.6 | Very low | 240 Ų | 240 | 138.4 Ų | 138.4 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | | | trans | -150.8 | 121.2 | 140.8 | -83.4 | -159.1 | 176.3 | 87.2 | 2.3 | 110.2 | | |
| 703 | D | 31.2 | Very low | 31.8 | Very low | 151 Ų | 151 | 139.5 Ų | 139.5 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | | | trans | -159.7 | 108.2 | 146.7 | -130.6 | -16.3 | 0 | 0 | 0 | 112.2 | | |
| 704 | I | 32.3 | Very low | 32.2 | Very low | 177 Ų | 177 | 143.3 Ų | 143.3 | 91% | 0.908 | 77% | 0.774 | S | S | * | * | | | trans | -144.4 | 123.1 | 156.2 | -61 | -175.2 | 0 | 0 | 0 | 105.6 | | |
| 705 | L | 35.8 | Very low | 32.7 | Very low | 158 Ų | 158 | 143.9 Ų | 143.9 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | | | trans | -117.1 | 144.4 | -171 | -171.9 | 69.1 | 0 | 0 | 0 | 112.9 | | |
| 706 | A | 31.7 | Very low | 32.8 | Very low | 78 Ų | 78 | 142.6 Ų | 142.6 | 65% | 0.645 | 77% | 0.766 | S | S | * | * | | | trans | 106.5 | 130.4 | 148.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 707 | R | 33.8 | Very low | 33.3 | Very low | 241 Ų | 241 | 143.7 Ų | 143.7 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | | | trans | 70.4 | 135.9 | 145.1 | -91.2 | -179.8 | 167.1 | 141.6 | -3.4 | 117.8 | | |
| 708 | S | 32.1 | Very low | 33.4 | Very low | 79 Ų | 79 | 141.2 Ų | 141.2 | 55% | 0.552 | 76% | 0.763 | S | S | * | * | | | cis | -158.5 | 164.4 | 1.2 | -40.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 709 | H | 36 | Very low | 33.6 | Very low | 171 Ų | 171 | 142.6 Ų | 142.6 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | | | trans | 61.5 | 104.2 | 154.1 | -55.3 | -50.9 | 0 | 0 | 0 | 118.4 | | |
| 710 | S | 35.7 | Very low | 33.8 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | | | | 89.8 | 135.9 | 86.3 | 74.5 | 0 | 0 | 0 | 0 | 113 | | |
| 711 | V | 37.5 | Very low | 34.1 | Very low | 130 Ų | 130 | 141 Ų | 141 | 79% | 0.788 | 75% | 0.753 | S | S | * | * | | | cis | -144.2 | 158.8 | 16 | 176.3 | 0 | 0 | 0 | 0 | 107.2 | Y713 | V711-Y713 HydrophobicContact CG1-CD2 4.48Š|
| 712 | G | 33.9 | Very low | 34.1 | Very low | 59 Ų | 59 | 139.6 Ų | 139.6 | 61% | 0.608 | 75% | 0.748 | S | S | * | * | | | cis | 147.5 | 177.4 | -0 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 713 | Y | 35.5 | Very low | 34.1 | Very low | 210 Ų | 210 | 136 Ų | 136 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | | | trans | 66.8 | 110.4 | -172.3 | -63.5 | -85.7 | 0 | 0 | 0 | 115.1 | V711 | V711-Y713 HydrophobicContact CG1-CD2 4.48Š|
| 714 | H | 36.1 | Very low | 34.1 | Very low | 157 Ų | 157 | 133.8 Ų | 133.8 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | | | | 74.9 | 134.4 | 74.5 | -85.9 | -70 | 0 | 0 | 0 | 113.1 | D716 | H714-D716 IonicContact ND1-OD1 3.83Š|
| 715 | Q | 38.8 | Very low | 34.1 | Very low | 161 Ų | 161 | 131.6 Ų | 131.6 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | | | cis | -137.3 | 147 | 16.9 | -72.7 | -166.9 | -108 | 0 | 0 | 114.3 | | |
| 716 | D | 33.4 | Very low | 34.2 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 58% | 0.583 | 74% | 0.737 | S | S | * | * | | | | 35.8 | 133.3 | 123.9 | -29.2 | -33.8 | 0 | 0 | 0 | 118.5 | H714 | H714-D716 IonicContact ND1-OD1 3.83Š|
| 717 | T | 37.4 | Very low | 34.2 | Very low | 132 Ų | 132 | 130.9 Ų | 130.9 | 81% | 0.81 | 74% | 0.736 | S | S | * | * | | | cis | -160.3 | -175.1 | 38.6 | 49 | 0 | 0 | 0 | 0 | 111.5 | | |
| 718 | S | 34.9 | Very low | 34.9 | Very low | 87 Ų | 87 | 125.3 Ų | 125.3 | 61% | 0.608 | 73% | 0.731 | S | S | * | * | | | cis | -175.2 | 145.9 | -49.2 | 68.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 719 | I | 33.2 | Very low | 34.9 | Very low | 150 Ų | 150 | 129.9 Ų | 129.9 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | | | trans | 61.9 | 140.8 | 139.3 | -64.7 | 166 | 0 | 0 | 0 | 120 | | |
| 720 | T | 32.7 | Very low | 34.9 | Very low | 109 Ų | 109 | 126.9 Ų | 126.9 | 67% | 0.669 | 74% | 0.737 | S | S | * | * | | | cis | -166.1 | 149.5 | -29.3 | 41.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 721 | T | 33.3 | Very low | 34.8 | Very low | 119 Ų | 119 | 126.8 Ų | 126.8 | 73% | 0.73 | 73% | 0.732 | S | S | * | * | | | trans | 37.4 | 111.1 | 146.3 | 61.9 | 0 | 0 | 0 | 0 | 123.4 | | |
| 722 | S | 29.2 | Very low | 34.7 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 72% | 0.72 | 74% | 0.735 | S | S | * | * | | | | 71 | 149 | 121.6 | 73.1 | 0 | 0 | 0 | 0 | 124.6 | | |
| 723 | L | 30.7 | Very low | 34.7 | Very low | 164 Ų | 164 | 131.2 Ų | 131.2 | 86% | 0.859 | 74% | 0.738 | S | S | * | * | | | trans | 73.3 | 143.5 | 163.4 | -98.2 | 66.3 | 0 | 0 | 0 | 116.7 | | |
| 724 | S | 33 | Very low | 34.7 | Very low | 106 Ų | 106 | 127.6 Ų | 127.6 | 74% | 0.741 | 74% | 0.738 | S | S | * | * | | | cis | -142.6 | 168.5 | 10 | -74.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 725 | T | 31.9 | Very low | 34.7 | Very low | 131 Ų | 131 | 125 Ų | 125 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | | | trans | -74.8 | 169.9 | 179.2 | -41.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 726 | I | 37 | Very low | 34.3 | Very low | 161 Ų | 161 | 123 Ų | 123 | 83% | 0.826 | 74% | 0.74 | S | S | * | * | | | trans | 104.3 | 117.3 | 160.2 | -56.6 | 168.7 | 0 | 0 | 0 | 115.8 | | |
| 727 | G | 33 | Very low | 34.3 | Very low | 60 Ų | 60 | 122.7 Ų | 122.7 | 62% | 0.619 | 75% | 0.746 | S | S | * | * | | | trans | -105.4 | -166.7 | 159.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 728 | P | 46.9 | Very low | 34.1 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 81% | 0.805 | 74% | 0.742 | S | S | * | * | | | | -151 | -179.3 | 51.6 | 40.8 | -20.1 | 0 | 0 | 0 | 118.2 | | |
| 729 | E | 33.5 | Very low | 33.9 | Very low | 174 Ų | 174 | 125.3 Ų | 125.3 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | | | trans | 92.3 | 148.9 | 139.7 | -118 | -166.6 | 125.9 | 0 | 0 | 124.8 | | |
| 730 | V | 35.4 | Very low | 33.8 | Very low | 109 Ų | 109 | 128.5 Ų | 128.5 | 66% | 0.661 | 75% | 0.749 | S | S | * | * | | | trans | 64.7 | 102.6 | 164 | -115.9 | 0 | 0 | 0 | 0 | 123.4 | | |
| 731 | T | 33.2 | Very low | 33.7 | Very low | 108 Ų | 108 | 129.2 Ų | 129.2 | 66% | 0.663 | 75% | 0.754 | S | S | * | * | | | trans | 56.9 | 119.6 | 140.2 | 49.6 | 0 | 0 | 0 | 0 | 123.1 | | |
| 732 | M | 34.7 | Very low | 33.8 | Very low | 171 Ų | 171 | 129.3 Ų | 129.3 | 84% | 0.842 | 76% | 0.756 | S | S | * | * | | | | -148.1 | 163 | 106.2 | -104.2 | -62.4 | 115.1 | 0 | 0 | 110.4 | | |
| 733 | T | 34.3 | Very low | 33.7 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | | | trans | -119.1 | 149.3 | -168.5 | 51.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 734 | T | 36.7 | Very low | 33.8 | Very low | 135 Ų | 135 | 131.2 Ų | 131.2 | 83% | 0.828 | 76% | 0.756 | S | S | * | * | | | | 171.9 | 146.8 | 125.1 | 31.8 | 0 | 0 | 0 | 0 | 116.1 | | |
| 735 | S | 35.6 | Very low | 33.5 | Very low | 102 Ų | 102 | 132.7 Ų | 132.7 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | | | trans | 54.7 | 84.8 | 149.6 | 59.3 | 0 | 0 | 0 | 0 | 123.7 | | |
| 736 | C | 31.2 | Very low | 33.5 | Very low | 120 Ų | 120 | 133 Ų | 133 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | | | | 41.3 | 117.7 | 106.1 | -55.1 | 0 | 0 | 0 | 0 | 123.8 | | |
| 737 | S | 32.9 | Very low | 33.2 | Very low | 101 Ų | 101 | 130.2 Ų | 130.2 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | | | | 92.6 | 106.2 | 116.7 | -61.3 | 0 | 0 | 0 | 0 | 124.8 | | |
| 738 | I | 32 | Very low | 33.3 | Very low | 142 Ų | 142 | 137.8 Ų | 137.8 | 73% | 0.728 | 76% | 0.764 | S | S | * | * | | | | 60.6 | 113 | 124.5 | -55.4 | 160.9 | 0 | 0 | 0 | 120 | | |
| 739 | N | 31.9 | Very low | 32.9 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | | | | -166.2 | 129.7 | 114.9 | -110.2 | -58.9 | 0 | 0 | 0 | 116.2 | | |
| 740 | R | 30.5 | Very low | 32.8 | Very low | 216 Ų | 216 | 137.3 Ų | 137.3 | 82% | 0.815 | 76% | 0.757 | S | S | * | * | | | trans | 47.4 | 125.7 | 144.7 | -72.9 | 176.8 | 179.9 | -143.6 | -2.8 | 123.7 | | |
| 741 | T | 31.5 | Very low | 32.7 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 76% | 0.761 | 76% | 0.759 | S | S | * | * | | | trans | 62.1 | 109.2 | 138 | 57 | 0 | 0 | 0 | 0 | 120.2 | | |
| 742 | P | 34.8 | Very low | 32.8 | Very low | 121 Ų | 121 | 140 Ų | 140 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | | | trans | -86 | 138.5 | 161.3 | 34.4 | -30.7 | 0 | 0 | 0 | 111.9 | | |
| 743 | I | 26.4 | Very low | 32.7 | Very low | 153 Ų | 153 | 135 Ų | 135 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | trans | -123.2 | 121 | 154.6 | -62.7 | 176.4 | 0 | 0 | 0 | 106 | | |
| 744 | I | 33.4 | Very low | 32.7 | Very low | 154 Ų | 154 | 137.2 Ų | 137.2 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | | | trans | -123.4 | 105.1 | 167.8 | -62.6 | -178.9 | 0 | 0 | 0 | 107 | | |
| 745 | N | 26.2 | Very low | 32.7 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | | | trans | -68.8 | 141.7 | 163 | -93.8 | -2.3 | 0 | 0 | 0 | 109.1 | | |
| 746 | V | 32.3 | Very low | 32.7 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | | | trans | -106.5 | 130.7 | 150.7 | -179.2 | 0 | 0 | 0 | 0 | 106.6 | | |
| 747 | S | 30.5 | Very low | 33 | Very low | 102 Ų | 102 | 138 Ų | 138 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | | | trans | -87.7 | 146.8 | -163.5 | -60.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 748 | Y | 34.6 | Very low | 33 | Very low | 220 Ų | 220 | 139.6 Ų | 139.6 | 86% | 0.863 | 77% | 0.768 | S | S | * | * | | | trans | -61.5 | 173.2 | 159 | -64 | -100 | 0 | 0 | 0 | 111.6 | | |
| 749 | P | 40.2 | Very low | 33.1 | Very low | 100 Ų | 100 | 143.9 Ų | 143.9 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | | | | -145.6 | -179.2 | 107.2 | 31.2 | -11.8 | 0 | 0 | 0 | 116.2 | | |
| 750 | F | 31.3 | Very low | 33.2 | Very low | 188 Ų | 188 | 145.5 Ų | 145.5 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | 86.5 | 139.1 | 171.1 | -54.2 | -67.1 | 0 | 0 | 0 | 118.8 | | |
| 751 | T | 31.6 | Very low | 33.8 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | | -176.8 | 122.6 | -70.8 | 38.8 | 0 | 0 | 0 | 0 | 112 | | |
| 752 | T | 36.8 | Very low | 33.9 | Very low | 158 Ų | 158 | 141.9 Ų | 141.9 | 97% | 0.969 | 78% | 0.78 | S | S | * | * | | | trans | -179.5 | 144.8 | 151.7 | 25.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 753 | G | 31.9 | Very low | 33.7 | Very low | 65 Ų | 65 | 142.8 Ų | 142.8 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | | | cis | 166.9 | 110.2 | -11.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 754 | N | 35.1 | Very low | 34 | Very low | 158 Ų | 158 | 139 Ų | 139 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | | | trans | 177.1 | 113.2 | 159.3 | -92.3 | -29.9 | 0 | 0 | 0 | 106.8 | | |
| 755 | L | 35.3 | Very low | 34.1 | Very low | 162 Ų | 162 | 139.5 Ų | 139.5 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | | | | 49.3 | 129.6 | 75.8 | -86.6 | 71.9 | 0 | 0 | 0 | 113.4 | | |
| 756 | S | 36.6 | Very low | 34.3 | Very low | 98 Ų | 98 | 137.8 Ų | 137.8 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | | | cis | -171.7 | 173.6 | 0.8 | 62.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 757 | T | 37 | Very low | 34.5 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | | | cis | -160.7 | 156 | -5.3 | -2.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 758 | N | 33 | Very low | 34.6 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | | | trans | 66.2 | 150.2 | 155.1 | -67.3 | -45 | 0 | 0 | 0 | 119.3 | | |
| 759 | R | 34.3 | Very low | 34.7 | Very low | 232 Ų | 232 | 133.6 Ų | 133.6 | 88% | 0.875 | 77% | 0.771 | S | S | * | * | | | cis | -150.7 | 167.1 | 3.7 | -130.8 | 172.9 | -157 | -109.1 | 5.2 | 111.7 | | |
| 760 | L | 33.3 | Very low | 34.5 | Very low | 167 Ų | 167 | 134.3 Ų | 134.3 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | | | trans | -82.8 | 157.9 | -179.3 | -74.6 | 156.8 | 0 | 0 | 0 | 114.3 | | |
| 761 | P | 43 | Very low | 34.7 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | | | trans | -97.6 | 164.1 | 175.3 | 39 | -35.2 | 0 | 0 | 0 | 113.9 | | |
| 762 | I | 34.1 | Very low | 35.1 | Very low | 155 Ų | 155 | 132.8 Ų | 132.8 | 80% | 0.795 | 78% | 0.781 | S | S | * | * | | | trans | -179.7 | 133.3 | 137.5 | -99.1 | 160.3 | 0 | 0 | 0 | 112.6 | | |
| 763 | I | 31.6 | Very low | 34.7 | Very low | 140 Ų | 140 | 132.8 Ų | 132.8 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | | | trans | 41 | 123.3 | 155.3 | -58 | 172.1 | 0 | 0 | 0 | 121 | | |
| 764 | G | 31.9 | Very low | 34.8 | Very low | 74 Ų | 74 | 138.9 Ų | 138.9 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | | | trans | -152.7 | 143 | 153.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 765 | H | 35.1 | Very low | 34.6 | Very low | 163 Ų | 163 | 137.9 Ų | 137.9 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | trans | -105.2 | 128.4 | -161.7 | -81.8 | -96.6 | 0 | 0 | 0 | 116.6 | | |
| 766 | S | 30.6 | Very low | 34.5 | Very low | 101 Ų | 101 | 136.5 Ų | 136.5 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | 45.3 | 125.2 | 130.4 | -51 | 0 | 0 | 0 | 0 | 122.8 | | |
| 767 | T | 35.9 | Very low | 34.2 | Very low | 138 Ų | 138 | 141.4 Ų | 141.4 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | | | | -156.6 | 132.3 | 125.6 | 46.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 768 | S | 33.2 | Very low | 34 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | | | trans | 49 | 140.4 | 154.5 | -134.9 | 0 | 0 | 0 | 0 | 120.8 | | |
| 769 | T | 37.3 | Very low | 34.2 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | | | cis | -123.3 | 141.7 | 12.3 | 49.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 770 | S | 34.8 | Very low | 34 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | | | | 57.2 | 133.4 | 73 | -153.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 771 | G | 36.5 | Very low | 34.4 | Very low | 69 Ų | 69 | 132 Ų | 132 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | cis | -120.3 | -159.9 | 15.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 772 | K | 38.8 | Very low | 33.7 | Very low | 202 Ų | 202 | 134.9 Ų | 134.9 | 88% | 0.878 | 79% | 0.787 | S | S | * | * | | | trans | -134.1 | 153.8 | -161.3 | -59.9 | 176.2 | -177.8 | 173.8 | 0 | 114.8 | | |
| 773 | N | 29.8 | Very low | 34.2 | Very low | 159 Ų | 159 | 132.8 Ų | 132.8 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | | | trans | -15.2 | 142.8 | 158.9 | -45.1 | -15.8 | 0 | 0 | 0 | 118.3 | | |
| 774 | K | 33.9 | Very low | 34 | Very low | 193 Ų | 193 | 134.2 Ų | 134.2 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | | | | -167.9 | 116.3 | 106.2 | -162.8 | 168.7 | -177 | -177.6 | 0 | 115.1 | | |
| 775 | I | 31.3 | Very low | 33.8 | Very low | 137 Ų | 137 | 135 Ų | 135 | 70% | 0.703 | 78% | 0.782 | S | S | * | * | | | trans | 13.7 | 126.1 | 143.2 | -50.5 | 161.8 | 0 | 0 | 0 | 118.7 | | |
| 776 | T | 32.1 | Very low | 33.5 | Very low | 132 Ų | 132 | 132.6 Ų | 132.6 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | | | | -162.3 | 154.4 | 127.9 | -76.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 777 | F | 30.2 | Very low | 33.5 | Very low | 201 Ų | 201 | 134.6 Ų | 134.6 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | | | trans | -60.9 | 150.7 | -173 | -67.3 | -106.5 | 0 | 0 | 0 | 115.7 | | |
| 778 | G | 34.2 | Very low | 33.2 | Very low | 68 Ų | 68 | 134.8 Ų | 134.8 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | | | trans | 163.3 | 106.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 779 | S | 36.3 | Very low | 33.1 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | | | trans | 36 | 93.3 | 155.8 | 51.6 | 0 | 0 | 0 | 0 | 120.9 | | |
| 780 | L | 30.8 | Very low | 32.8 | Very low | 163 Ų | 163 | 133.9 Ų | 133.9 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | | | | 9.8 | 155.3 | 115.5 | -104.8 | 75.3 | 0 | 0 | 0 | 120 | | |
| 781 | P | 40.1 | Very low | 32.6 | Very low | 99 Ų | 99 | 134.8 Ų | 134.8 | 64% | 0.643 | 77% | 0.769 | S | S | * | * | | | | -146 | 151.5 | -55 | 37.8 | -18.2 | 0 | 0 | 0 | 116.4 | | |
| 782 | L | 29.7 | Very low | 32.4 | Very low | 171 Ų | 171 | 140.7 Ų | 140.7 | 90% | 0.895 | 78% | 0.775 | S | S | * | * | | | trans | 64.2 | 166.5 | 146.3 | -68.5 | 175.4 | 0 | 0 | 0 | 119.5 | | |
| 783 | P | 43.7 | Very low | 32.1 | Very low | 111 Ų | 111 | 138 Ų | 138 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | | | trans | -116.1 | 168 | -150.1 | 42.4 | -35.3 | 0 | 0 | 0 | 116.4 | | |
| 784 | M | 28.2 | Very low | 32.5 | Very low | 170 Ų | 170 | 136.9 Ų | 136.9 | 84% | 0.837 | 76% | 0.764 | S | S | * | * | | | trans | -169.7 | 172.9 | 134.6 | -102.8 | -62 | -94.6 | 0 | 0 | 111.8 | | |
| 785 | C | 27.1 | Very low | 32.4 | Very low | 91 Ų | 91 | 135 Ų | 135 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | | | trans | -21.6 | 155.2 | 159.1 | -65.4 | 0 | 0 | 0 | 0 | 118.1 | | |
| 786 | T | 29 | Very low | 32.5 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | | | cis | -171.8 | 152.6 | 10.5 | 10.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 787 | I | 31.6 | Very low | 32.7 | Very low | 142 Ų | 142 | 130.7 Ų | 130.7 | 73% | 0.728 | 76% | 0.762 | S | S | * | * | | | trans | 62.8 | 142.7 | 140.1 | -69.7 | 164.9 | 0 | 0 | 0 | 121.8 | | |
| 788 | N | 28.4 | Very low | 33 | Very low | 143 Ų | 143 | 129 Ų | 129 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | | | trans | 78.4 | 106.7 | 158.4 | -77.9 | -8.2 | 0 | 0 | 0 | 123.4 | | |
| 789 | S | 30.4 | Very low | 33.1 | Very low | 90 Ų | 90 | 133.2 Ų | 133.2 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | | | | 80.9 | 112 | 111.5 | -57.2 | 0 | 0 | 0 | 0 | 123.5 | | |
| 790 | T | 31 | Very low | 32.9 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 77% | 0.767 | 75% | 0.754 | S | S | * | * | | | trans | 76 | 104.8 | 130.2 | 56.6 | 0 | 0 | 0 | 0 | 122.6 | | |
| 791 | V | 31.1 | Very low | 32.9 | Very low | 134 Ų | 134 | 136 Ų | 136 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | | | | 62.5 | 117.8 | 125.6 | -176.9 | 0 | 0 | 0 | 0 | 119.6 | | |
| 792 | K | 33.2 | Very low | 32.5 | Very low | 192 Ų | 192 | 135 Ų | 135 | 84% | 0.835 | 76% | 0.761 | S | S | * | * | | | trans | -163.5 | 120.4 | 136.4 | -113.3 | 164.2 | -172.7 | 172.5 | 0 | 112.9 | | |
| 793 | N | 32.9 | Very low | 32.5 | Very low | 147 Ų | 147 | 136.6 Ų | 136.6 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | | | trans | 150 | 144.3 | 150.8 | -84.2 | -38.1 | 0 | 0 | 0 | 109.2 | | |
| 794 | L | 36.4 | Very low | 32.3 | Very low | 135 Ų | 135 | 136.3 Ų | 136.3 | 71% | 0.707 | 76% | 0.759 | S | S | * | * | | | cis | 169.4 | 142.3 | -38.2 | -105.5 | 174.1 | 0 | 0 | 0 | 105.4 | | |
| 795 | N | 33.3 | Very low | 32.5 | Very low | 152 Ų | 152 | 135.7 Ų | 135.7 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | | | trans | 81.2 | 116.6 | 161.1 | -56.8 | -16.7 | 0 | 0 | 0 | 120.8 | | |
| 796 | G | 33.6 | Very low | 32.7 | Very low | 73 Ų | 73 | 135.2 Ų | 135.2 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | | | trans | 108 | 125.5 | 149.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 797 | S | 35.6 | Very low | 32.9 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | cis | -173.9 | 147.6 | -21.5 | 35.3 | 0 | 0 | 0 | 0 | 110 | | |
| 798 | Q | 37.3 | Very low | 33.1 | Very low | 166 Ų | 166 | 137.3 Ų | 137.3 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | trans | 69.9 | 114.9 | 167.1 | -68 | 175.2 | 0.7 | 0 | 0 | 115.5 | | |
| 799 | Q | 34.8 | Very low | 33.1 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 73% | 0.729 | 78% | 0.776 | S | S | * | * | | | | 79.9 | 137.6 | 84.3 | -77.5 | 173.2 | -22 | 0 | 0 | 113.2 | | |
| 800 | Q | 33.7 | Very low | 33.3 | Very low | 158 Ų | 158 | 149 Ų | 149 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | | | cis | -149 | -177.4 | 2.4 | -146.4 | 161.9 | -17.4 | 0 | 0 | 112.2 | | |
| 801 | E | 28.9 | Very low | 33.4 | Very low | 183 Ų | 183 | 150.2 Ų | 150.2 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | | | trans | -77.7 | 157.5 | -167.9 | -60.6 | 144.5 | 108.3 | 0 | 0 | 115.5 | | |
| 802 | G | 32 | Very low | 33.6 | Very low | 76 Ų | 76 | 149.9 Ų | 149.9 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | | | trans | 176.2 | 101.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 803 | F | 30.1 | Very low | 33.6 | Very low | 206 Ų | 206 | 146.7 Ų | 146.7 | 90% | 0.904 | 77% | 0.773 | S | S | * | * | | | trans | -66.9 | 146.7 | 152.8 | -82.3 | -91.4 | 0 | 0 | 0 | 108.2 | | |
| 804 | P | 39.9 | Very low | 33.6 | Very low | 105 Ų | 105 | 146.4 Ų | 146.4 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | | | | -154.6 | 170.1 | 59.6 | 44 | -24.2 | 0 | 0 | 0 | 118.7 | | |
| 805 | I | 31.3 | Very low | 33.4 | Very low | 157 Ų | 157 | 147 Ų | 147 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | | | trans | 48.1 | 135.3 | 135 | -64.3 | 168.2 | 0 | 0 | 0 | 121.5 | | |
| 806 | A | 31.3 | Very low | 33.6 | Very low | 80 Ų | 80 | 146.3 Ų | 146.3 | 66% | 0.661 | 77% | 0.771 | S | S | * | * | | | trans | 96 | 140.3 | 150.1 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 807 | H | 33.5 | Very low | 33.5 | Very low | 181 Ų | 181 | 150.4 Ų | 150.4 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | | | trans | 51.1 | 114.4 | 154.9 | -84.1 | -95.1 | 0 | 0 | 0 | 118.5 | | |
| 808 | C | 35.6 | Very low | 33.3 | Very low | 117 Ų | 117 | 153 Ų | 153 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | | | cis | -151.2 | 134.6 | 40.5 | -72.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 809 | R | 30 | Very low | 33.3 | Very low | 234 Ų | 234 | 150.3 Ų | 150.3 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | | | trans | -101.4 | 101.4 | 168 | -169 | -179.7 | -165.3 | 174.2 | 5.6 | 109.9 | | |
| 810 | R | 33.3 | Very low | 33.3 | Very low | 245 Ų | 245 | 148.3 Ų | 148.3 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | | | trans | -97.4 | 108.7 | 165.7 | -102.8 | -168.3 | 179.8 | -164.3 | 1.4 | 110.4 | | |
| 811 | Q | 34.2 | Very low | 33.1 | Very low | 151 Ų | 151 | 148 Ų | 148 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | | | trans | -64.5 | 159.5 | 143.8 | -64 | 169.6 | -23.4 | 0 | 0 | 107.1 | | |
| 812 | N | 34.3 | Very low | 33.5 | Very low | 126 Ų | 126 | 146.5 Ų | 146.5 | 67% | 0.674 | 78% | 0.78 | S | S | * | * | | | cis | -164.3 | 161.9 | 33.3 | -157.5 | 2.9 | 0 | 0 | 0 | 111.6 | | |
| 813 | N | 34.6 | Very low | 33.6 | Very low | 125 Ų | 125 | 147.8 Ų | 147.8 | 67% | 0.668 | 78% | 0.776 | S | S | * | * | | | trans | 49.7 | 110 | 158.4 | -68.7 | -24.4 | 0 | 0 | 0 | 121.2 | | |
| 814 | N | 31.2 | Very low | 33.6 | Very low | 142 Ų | 142 | 145.1 Ų | 145.1 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | | | | -0.3 | 122.3 | 120.9 | -56.3 | -6.3 | 0 | 0 | 0 | 116.6 | | |
| 815 | N | 33.3 | Very low | 33.4 | Very low | 146 Ų | 146 | 147.6 Ų | 147.6 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | | | | -174.3 | 118.3 | 102.3 | -93 | -25.2 | 0 | 0 | 0 | 113.4 | | |
| 816 | N | 36.4 | Very low | 33.4 | Very low | 139 Ų | 139 | 144.8 Ų | 144.8 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | | | trans | 28.1 | 107.7 | 143.2 | -57.3 | -7.8 | 0 | 0 | 0 | 120 | | |
| 817 | N | 31.9 | Very low | 33.4 | Very low | 159 Ų | 159 | 147.3 Ų | 147.3 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | | | trans | 34.5 | 107.2 | 130.7 | -61.9 | -6.4 | 0 | 0 | 0 | 119.4 | | |
| 818 | I | 32.3 | Very low | 33.3 | Very low | 162 Ų | 162 | 145 Ų | 145 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | | | trans | -133.3 | 131.1 | 148 | -60.4 | 176 | 0 | 0 | 0 | 108.5 | | |
| 819 | P | 36.2 | Very low | 33.3 | Very low | 109 Ų | 109 | 145.2 Ų | 145.2 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | | | trans | -118.2 | 166.2 | 147.4 | 36.5 | -28.8 | 0 | 0 | 0 | 112.2 | | |
| 820 | S | 35.3 | Very low | 33.5 | Very low | 113 Ų | 113 | 141 Ų | 141 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | trans | 70.3 | 66.7 | 161.4 | -52.6 | 0 | 0 | 0 | 0 | 118.8 | | |
| 821 | N | 29.7 | Very low | 33.6 | Very low | 153 Ų | 153 | 133.1 Ų | 133.1 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | | 40 | 161 | 103.2 | -152.4 | 4.7 | 0 | 0 | 0 | 121 | | |
| 822 | I | 37.1 | Very low | 33.5 | Very low | 151 Ų | 151 | 132.6 Ų | 132.6 | 77% | 0.774 | 78% | 0.781 | S | S | * | * | | | trans | 81.4 | 124.4 | 174.5 | -53.9 | 172.4 | 0 | 0 | 0 | 113.8 | | |
| 823 | S | 34.3 | Very low | 33.5 | Very low | 102 Ų | 102 | 132.6 Ų | 132.6 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | | | cis | -163.6 | 149.6 | -9.4 | 49.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 824 | N | 30.7 | Very low | 33.4 | Very low | 150 Ų | 150 | 133.2 Ų | 133.2 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | | | trans | -102.8 | 150.4 | 151 | -69.3 | -44.1 | 0 | 0 | 0 | 106.9 | | |
| 825 | I | 35.9 | Very low | 33.6 | Very low | 157 Ų | 157 | 132.6 Ų | 132.6 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | | | | -160.3 | 151.9 | 51.5 | -100.1 | 107.9 | 0 | 0 | 0 | 110.4 | | |
| 826 | S | 30.4 | Very low | 33.6 | Very low | 98 Ų | 98 | 132 Ų | 132 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | | | trans | 18.1 | 130.3 | 151.4 | -159.1 | 0 | 0 | 0 | 0 | 121.9 | | |
| 827 | V | 32.6 | Very low | 33.5 | Very low | 133 Ų | 133 | 133.2 Ų | 133.2 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | | | | -166 | 128.1 | 96.8 | -90.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 828 | C | 31.3 | Very low | 33.5 | Very low | 132 Ų | 132 | 133 Ų | 133 | 89% | 0.892 | 79% | 0.785 | S | S | * | * | | | trans | -152.3 | 109.8 | 165.4 | -85.1 | 0 | 0 | 0 | 0 | 111 | | |
| 829 | S | 34.9 | Very low | 33.5 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | | | trans | -143.3 | 149.9 | 163 | -56.2 | 0 | 0 | 0 | 0 | 106.6 | | |
| 830 | V | 34.7 | Very low | 33.2 | Very low | 145 Ų | 145 | 128.7 Ų | 128.7 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | | | cis | -137.6 | 147.7 | 14 | -155.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 831 | G | 33.9 | Very low | 33.6 | Very low | 79 Ų | 79 | 128.8 Ų | 128.8 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | | | trans | -156.2 | 130.3 | 169 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 832 | N | 33.3 | Very low | 33.8 | Very low | 140 Ų | 140 | 129 Ų | 129 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | | | trans | -119.5 | 161 | -154.6 | -158.4 | 12.8 | 0 | 0 | 0 | 114.3 | | |
| 833 | L | 33.8 | Very low | 33.7 | Very low | 127 Ų | 127 | 126.6 Ų | 126.6 | 67% | 0.665 | 79% | 0.785 | S | S | * | * | | | trans | 79.9 | 106.9 | 164 | -53.8 | 171.8 | 0 | 0 | 0 | 119.7 | | |
| 834 | N | 31.9 | Very low | 33.6 | Very low | 138 Ų | 138 | 130.1 Ų | 130.1 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | | | | 66.6 | 113.3 | 124.7 | -55.8 | -9.1 | 0 | 0 | 0 | 121.6 | | |
| 835 | S | 35.8 | Very low | 33.8 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | | | | -158.6 | 89.2 | 120.9 | -83.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 836 | V | 33.4 | Very low | 33.7 | Very low | 133 Ų | 133 | 129 Ų | 129 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | | | trans | -62.9 | 144.3 | 152.5 | 148.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 837 | K | 34 | Very low | 34 | Very low | 165 Ų | 165 | 128 Ų | 128 | 72% | 0.717 | 80% | 0.798 | S | S | * | * | | | cis | -157.9 | 158.7 | 14.5 | -138.1 | -179.9 | -169.7 | -161.7 | 0 | 113.6 | | |
| 838 | Q | 32.1 | Very low | 34 | Very low | 154 Ų | 154 | 128.7 Ų | 128.7 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | | | trans | 15.4 | 120.5 | 143.2 | -67.8 | 161.1 | -21 | 0 | 0 | 121.5 | | |
| 839 | A | 32.5 | Very low | 34.4 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | | | | 29 | 147.2 | 109.5 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 840 | G | 29.2 | Very low | 34.5 | Very low | 73 Ų | 73 | 132.1 Ų | 132.1 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | | | trans | -172.2 | 158.2 | 159.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 841 | P | 44 | Very low | 34.7 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | | | trans | -129.9 | 128.5 | 157.8 | 34.6 | -20.4 | 0 | 0 | 0 | 113.3 | | |
| 842 | N | 34.2 | Very low | 34.7 | Very low | 159 Ų | 159 | 138.1 Ų | 138.1 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | | | trans | 66.3 | 156.7 | 155.5 | -58.2 | -9.6 | 0 | 0 | 0 | 118.2 | | |
| 843 | S | 34.3 | Very low | 34.8 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | | | cis | 178.4 | 143.9 | -23.5 | 60.6 | 0 | 0 | 0 | 0 | 107.5 | | |
| 844 | Q | 33.1 | Very low | 34.8 | Very low | 177 Ų | 177 | 136.4 Ų | 136.4 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | | | cis | -148.4 | 176.7 | -1.8 | -48.4 | 175.1 | 33.7 | 0 | 0 | 108.1 | | |
| 845 | L | 34.9 | Very low | 34.7 | Very low | 178 Ų | 178 | 137.9 Ų | 137.9 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | | | trans | -155.9 | 159.1 | 130.5 | -137 | 74.4 | 0 | 0 | 0 | 113.4 | | |
| 846 | S | 34.1 | Very low | 34.6 | Very low | 106 Ų | 106 | 135.2 Ų | 135.2 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | | | trans | -75.9 | 155.6 | -164.1 | -175 | 0 | 0 | 0 | 0 | 116.5 | | |
| 847 | G | 35.8 | Very low | 34.5 | Very low | 75 Ų | 75 | 137.4 Ų | 137.4 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | -171.8 | 103.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 848 | N | 33.9 | Very low | 34.5 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | | | trans | -76.4 | 138 | -168.1 | -67.1 | -37.3 | 0 | 0 | 0 | 115.8 | | |
| 849 | K | 38.8 | Very low | 34.4 | Very low | 215 Ų | 215 | 135 Ų | 135 | 94% | 0.935 | 81% | 0.809 | S | S | * | * | | | | -167.8 | 155.6 | 126.8 | -109.3 | 162.7 | -174.7 | 172.7 | 0 | 113.5 | | |
| 850 | S | 36.3 | Very low | 34.4 | Very low | 112 Ų | 112 | 136 Ų | 136 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | | | trans | -108.5 | 161.2 | -167.8 | 53.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 851 | R | 39.8 | Very low | 34.6 | Very low | 238 Ų | 238 | 135.8 Ų | 135.8 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | | | trans | -158.7 | 146.9 | 142.8 | -127.2 | 175 | -68.3 | -173.5 | 2.5 | 113.7 | | |
| 852 | C | 34.1 | Very low | 33.9 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 75% | 0.75 | 81% | 0.812 | S | S | * | * | | | trans | -20.5 | 140.8 | 171.4 | -56.5 | 0 | 0 | 0 | 0 | 118.2 | | |
| 853 | C | 34.3 | Very low | 34 | Very low | 112 Ų | 112 | 134 Ų | 134 | 76% | 0.757 | 81% | 0.81 | S | S | * | * | | | cis | 91.9 | 105 | 46.1 | -66.7 | 0 | 0 | 0 | 0 | 115.4 | | |
| 854 | T | 33.9 | Very low | 34 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | | | trans | 53.5 | 131.3 | 134.1 | 57.6 | 0 | 0 | 0 | 0 | 124.2 | | |
| 855 | N | 30 | Very low | 33.9 | Very low | 168 Ų | 168 | 132.1 Ų | 132.1 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | | | trans | 89.9 | 148.7 | 144.1 | -63.5 | -1.8 | 0 | 0 | 0 | 121.9 | | |
| 856 | G | 33.2 | Very low | 33.9 | Very low | 73 Ų | 73 | 131.3 Ų | 131.3 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | | | trans | 106.5 | 101.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 857 | Q | 32.7 | Very low | 33.8 | Very low | 179 Ų | 179 | 131.8 Ų | 131.8 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | | | cis | 75.9 | 140.1 | 39.7 | -76.2 | -166.1 | -20.5 | 0 | 0 | 116.7 | | |
| 858 | M | 33.8 | Very low | 33.9 | Very low | 175 Ų | 175 | 133.8 Ų | 133.8 | 86% | 0.862 | 80% | 0.8 | S | S | * | * | | | trans | 77.7 | 115.1 | 175.8 | -48.2 | -173.9 | -166.9 | 0 | 0 | 114.4 | | |
| 859 | A | 29.5 | Very low | 33.7 | Very low | 94 Ų | 94 | 131.4 Ų | 131.4 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | | | | 93.9 | 139.7 | 58 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 860 | S | 31.6 | Very low | 33.2 | Very low | 128 Ų | 128 | 129 Ų | 129 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | | | cis | -164.8 | 162.6 | -6 | -91.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 861 | G | 33.5 | Very low | 32.9 | Very low | 70 Ų | 70 | 129 Ų | 129 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | | | trans | 150.4 | 107.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 862 | A | 30.9 | Very low | 32.6 | Very low | 102 Ų | 102 | 126 Ų | 126 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | | | | 65.5 | 131.1 | 78.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 863 | V | 34.6 | Very low | 32.4 | Very low | 132 Ų | 132 | 126.9 Ų | 126.9 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | | | cis | -131.2 | 164.7 | 16.2 | -173.8 | 0 | 0 | 0 | 0 | 106.6 | | |
| 864 | T | 36 | Very low | 32.2 | Very low | 117 Ų | 117 | 131.4 Ų | 131.4 | 72% | 0.718 | 79% | 0.792 | S | S | * | * | | | cis | -158.3 | -175.7 | 41.9 | -37 | 0 | 0 | 0 | 0 | 110.9 | | |
| 865 | T | 29.2 | Very low | 32 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | | | trans | -147.1 | 139.8 | 165.9 | -66.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 866 | I | 36.3 | Very low | 32.1 | Very low | 162 Ų | 162 | 127.2 Ų | 127.2 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | | | trans | -142.2 | 131.3 | 161 | -57.3 | -178 | 0 | 0 | 0 | 109.1 | | |
| 867 | T | 31.5 | Very low | 32.1 | Very low | 116 Ų | 116 | 128.2 Ų | 128.2 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | | | trans | -121.1 | 178.2 | 167.6 | 52.4 | 0 | 0 | 0 | 0 | 107.6 | | |
| 868 | P | 38.4 | Very low | 32.2 | Very low | 117 Ų | 117 | 127.3 Ų | 127.3 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | cis | -120 | -159.9 | 5.5 | 30.2 | -4 | 0 | 0 | 0 | 110.9 | | |
| 869 | S | 29.6 | Very low | 32.4 | Very low | 99 Ų | 99 | 124.8 Ų | 124.8 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | | | cis | -162.5 | 152.1 | 37.3 | -55.8 | 0 | 0 | 0 | 0 | 113.1 | S871 | S869-S871 PolarHBondContact O-N 2.75Š|
| 870 | D | 27.4 | Very low | 32.8 | Very low | 165 Ų | 165 | 125.1 Ų | 125.1 | 88% | 0.882 | 76% | 0.757 | S | S | * | * | | | trans | -78.8 | 115 | 175.9 | -73.6 | -61.6 | 0 | 0 | 0 | 112.9 | L872 | D870-L872 PolarHBondContact O-N 3.22Š|
| 871 | S | 30.7 | Very low | 33 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | | | trans | -86.4 | 91.8 | 175.5 | -66.6 | 0 | 0 | 0 | 0 | 111.5 | S869 L873 | S869-S871 PolarHBondContact O-N 2.75Å; S871-L873 PolarHBondContact O-N 2.91Å |
| 872 | L | 32.9 | Very low | 33.4 | Very low | 175 Ų | 175 | 126.5 Ų | 126.5 | 92% | 0.916 | 76% | 0.755 | S | S | * | * | | | trans | -71.9 | 72.4 | 165.7 | -71.3 | 177.5 | 0 | 0 | 0 | 110.9 | D870 | D870-L872 PolarHBondContact O-N 3.22Š|
| 873 | L | 30.8 | Very low | 33.4 | Very low | 129 Ų | 129 | 129.5 Ų | 129.5 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -77 | 136.8 | 176.2 | -164.3 | 69.2 | 0 | 0 | 0 | 110.5 | S871 T877 | S871-L873 PolarHBondContact O-N 2.91Å; L873-T877 HydrophobicContact CD2-CG2 4.43Å; L873-T877 WeakPolarHBondContact CD2-OG1 3.34Å |
| 874 | Y | 28.6 | Very low | 33.5 | Very low | 207 Ų | 207 | 127.7 Ų | 127.7 | 81% | 0.812 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 145.3 | 176.7 | -95.3 | -110.4 | 0 | 0 | 0 | 112 | G876 | Y874-G876 PolarHBondContact O-N 3.22Š|
| 875 | P | 31.1 | Very low | 33.9 | Very low | 131 Ų | 131 | 125 Ų | 125 | 85% | 0.851 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | 121.6 | 175.7 | 28.3 | -33.8 | 0 | 0 | 0 | 110.7 | | |
| 876 | G | 31.2 | Very low | 34.9 | Very low | 69 Ų | 69 | 121.4 Ų | 121.4 | 71% | 0.711 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 153.6 | -15.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | Y874 E878 | Y874-G876 PolarHBondContact O-N 3.22Å; G876-E878 VanDerWaalsContact C-N 3.33Å; G876-E878 PolarHBondContact O-N 3.27Å |
| 877 | T | 34.4 | Very low | 35.5 | Very low | 94 Ų | 94 | 117 Ų | 117 | 58% | 0.577 | 69% | 0.689 | S | S | * | * | | | trans | -84 | 65.9 | -177.2 | 60 | 0 | 0 | 0 | 0 | 113.2 | L873 L879 | L873-T877 HydrophobicContact CD2-CG2 4.43Å; L873-T877 WeakPolarHBondContact CD2-OG1 3.34Å; T877-L879 PolarHBondContact O-N 2.84Å |
| 878 | E | 33.7 | Very low | 36.5 | Very low | 160 Ų | 160 | 115 Ų | 115 | 75% | 0.748 | 67% | 0.67 | S | S | * | * | | | trans | -71.8 | 115.7 | 169.9 | -68.3 | -138.7 | 156.4 | 0 | 0 | 111.3 | G876 V880 V885 | G876-E878 VanDerWaalsContact C-N 3.33Å; G876-E878 PolarHBondContact O-N 3.27Å; E878-V880 PolarHBondContact O-N 3.42Å; E878-V880 VanDerWaalsContact O-N 3.16Å; E878-V885 VanDerWaalsContact O-CG2 3.25Å; E878-V885 WeakPolarHBondContact O-CG2 3.3Å |
| 879 | L | 38.7 | Very low | 37.8 | Very low | 122 Ų | 122 | 114.6 Ų | 114.6 | 64% | 0.639 | 65% | 0.654 | S | S | * | * | | | trans | -83.7 | 84.8 | -176.6 | -73.6 | 169.9 | 0 | 0 | 0 | 112.4 | T877 | T877-L879 PolarHBondContact O-N 2.84Š|
| 880 | V | 38.3 | Very low | 39.9 | Very low | 101 Ų | 101 | 116.1 Ų | 116.1 | 61% | 0.612 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -77.5 | 127.1 | 167.7 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | E878 G882 | E878-V880 PolarHBondContact O-N 3.42Å; E878-V880 VanDerWaalsContact O-N 3.16Å; V880-G882 VanDerWaalsContact C-N 3.27Å; V880-G882 PolarHBondContact O-N 3.14Å |
| 881 | N | 34.8 | Very low | 42.7 | Very low | 158 Ų | 158 | 116.6 Ų | 116.6 | 85% | 0.845 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | 57.1 | 25.8 | 178.8 | -68.6 | -2.9 | 0 | 0 | 0 | 116.7 | K883 | N881-K883 VanDerWaalsContact C-N 3.28Å; N881-K883 PolarHBondContact O-N 2.94Å |
| 882 | G | 41.3 | Very low | 45.6 | Very low | 69 Ų | 69 | 112 Ų | 112 | 71% | 0.711 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | 69.3 | 19.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | V880 | V880-G882 VanDerWaalsContact C-N 3.27Å; V880-G882 PolarHBondContact O-N 3.14Å |
| 883 | K | 31.9 | Very low | 48.5 | Very low | 165 Ų | 165 | 103.8 Ų | 103.8 | 72% | 0.717 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -121.5 | 147 | 167.4 | -67.7 | -175.5 | 177.9 | -175.3 | 0 | 108.8 | N881 V885 | N881-K883 VanDerWaalsContact C-N 3.28Å; N881-K883 PolarHBondContact O-N 2.94Å; K883-V885 PolarHBondContact O-N 2.86Å |
| 884 | P | 36.3 | Very low | 51.3 | Low | 95 Ų | 95 | 101.4 Ų | 101.4 | 62% | 0.617 | 55% | 0.553 | S | S | * | * | | | trans | -63.6 | 133 | 179.5 | 26.7 | -34.2 | 0 | 0 | 0 | 110.6 | V886 | P884-V886 HydrophobicContact CB-CG2 4.24Å; P884-V886 PolarHBondContact O-N 3.23Å |
| 885 | V | 45 | Very low | 54.4 | Low | 59 Ų | 59 | 97.6 Ų | 97.6 | 36% | 0.358 | 54% | 0.542 | S | S | . | . | G | 310 helix | trans | -79.4 | 17.4 | -170.9 | -176.2 | 0 | 0 | 0 | 0 | 112.9 | E878 K883 A887 K888 | E878-V885 VanDerWaalsContact O-CG2 3.25Å; E878-V885 WeakPolarHBondContact O-CG2 3.3Å; K883-V885 PolarHBondContact O-N 2.86Å; V885-A887 PolarHBondContact O-N 3.02Å; V885-A887 VanDerWaalsContact O-N 3.12Å; V885-K888 HydrophobicContact CG1-CB 3.72Å; V885-K888 HydrophobicContact CG1-CD 3.78Å; V885-K888 HydrophobicContact CG1-CG 4.33Å; V885-K888 VanDerWaalsContact O-CB 3.27Å; V885-K888 WeakPolarHBondContact O-CB 3.4Å; V885-K888 PolarHBondContact O-N 3.32Å |
| 886 | V | 49.8 | Very low | 57.3 | Low | 46 Ų | 46 | 96.6 Ų | 96.6 | 28% | 0.279 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -52.1 | -31.5 | 171.3 | 174.9 | 0 | 0 | 0 | 0 | 112.1 | P884 K888 E940 L941 | P884-V886 HydrophobicContact CB-CG2 4.24Å; P884-V886 PolarHBondContact O-N 3.23Å; V886-K888 VanDerWaalsContact C-N 3.26Å; V886-K888 PolarHBondContact O-N 3.22Å; V886-E940 HydrophobicContact CG1-CB 3.61Å; V886-E940 HydrophobicContact CG2-CB 4.21Å; V886-L941 HydrophobicContact CG1-CD2 3.77Å |
| 887 | A | 48.2 | Very low | 60.2 | Low | 69 Ų | 69 | 97.5 Ų | 97.5 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -65.4 | -23 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | V885 W889 R890 | V885-A887 PolarHBondContact O-N 3.02Å; V885-A887 VanDerWaalsContact O-N 3.12Å; A887-W889 VanDerWaalsContact C-N 3.31Å; A887-W889 PolarHBondContact O-N 3.16Å; A887-R890 WeakPolarHBondContact O-CG 3.48Å |
| 888 | K | 54.1 | Low | 62.9 | Low | 75 Ų | 75 | 101.7 Ų | 101.7 | 33% | 0.326 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -60.1 | -38.6 | -171.9 | -170.3 | 173.4 | -179.4 | -171.7 | 0 | 112.3 | V885 V886 C906 E907 | V885-K888 HydrophobicContact CG1-CB 3.72Å; V885-K888 HydrophobicContact CG1-CD 3.78Å; V885-K888 HydrophobicContact CG1-CG 4.33Å; V885-K888 VanDerWaalsContact O-CB 3.27Å; V885-K888 WeakPolarHBondContact O-CB 3.4Å; V885-K888 PolarHBondContact O-N 3.32Å; V886-K888 VanDerWaalsContact C-N 3.26Å; V886-K888 PolarHBondContact O-N 3.22Å; K888-C906 WeakPolarHBondContact CE-O 3.47Å; K888-C906 PolarHBondContact NZ-O 2.91Å; K888-E907 VanDerWaalsContact CG-O 3.25Å; K888-E907 WeakPolarHBondContact CG-O 3.49Å |
| 889 | W | 64.7 | Low | 65.7 | Low | 108 Ų | 108 | 97.2 Ų | 97.2 | 41% | 0.409 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -100.4 | 16.7 | -167.9 | -63.9 | -26.8 | 0 | 0 | 0 | 115.7 | A887 R891 A909 | A887-W889 VanDerWaalsContact C-N 3.31Å; A887-W889 PolarHBondContact O-N 3.16Å; W889-R891 PolarHBondContact O-N 3.42Å; W889-A909 HydrophobicContact CB-CB 3.84Å; W889-A909 HydrophobicContact CG-CB 4.11Å |
| 890 | R | 73.2 | Confident | 68.3 | Low | 130 Ų | 130 | 97.9 Ų | 97.9 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -60.4 | -12.2 | 176.3 | -63.7 | -96.3 | -167.8 | 162.3 | 4.2 | 114.5 | A887 L941 E944 | A887-R890 WeakPolarHBondContact O-CG 3.48Å; R890-L941 VanDerWaalsContact CZ-CD2 3.41Å; R890-E944 IonicContact CZ-OE2 4Å; R890-E944 IonicContact NH2-OE2 2.76Å; R890-E944 PolarHBondContact NH2-OE2 3.23Å |
| 891 | R | 86.5 | Confident | 71 | Confident | 175 Ų | 175 | 94.6 Ų | 94.6 | 66% | 0.66 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -136.5 | 142.2 | 175.8 | -57 | -172.7 | -165.2 | 94.3 | -3.8 | 111.3 | W889 F908 A909 | W889-R891 PolarHBondContact O-N 3.42Å; R891-F908 HydrophobicContact CB-CD1 4.43Å; R891-A909 WeakPolarHBondContact O-CB 3.28Å; R891-A909 PolarHBondContact O-N 3.25Å |
| 892 | A | 91.9 | Very high | 73.7 | Confident | 15 Ų | 15 | 96.6 Ų | 96.6 | 12% | 0.124 | 49% | 0.493 | C | S | . | . | B | Isolated β-bridge | trans | -70.2 | 150 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S894 L897 A909 L912 V915 F933 | A892-S894 PolarHBondContact O-N 3.3Å; A892-L897 HydrophobicContact CB-CD1 3.99Å; A892-A909 CarbonylContact C-O 3.54Å; A892-A909 WeakPolarHBondContact CA-O 3.33Å; A892-L912 HydrophobicContact CB-CD2 3.5Å; A892-L912 VanDerWaalsContact CB-CD2 3.5Å; A892-V915 HydrophobicContact CB-CG1 4.29Å; A892-V915 HydrophobicContact CB-CG2 4.18Å; A892-F933 HydrophobicContact CB-CE1 3.74Å; A892-F933 HydrophobicContact CB-CZ 4.48Å |
| 893 | C | 93.3 | Very high | 76 | Confident | 2 Ų | 2 | 100.4 Ų | 100.4 | 1% | 0.014 | 49% | 0.49 | C | S | . | . | | | trans | -77 | 111.6 | 177.8 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | F895 Y896 L897 C906 F908 A909 | C893-F895 PolarHBondContact O-N 3.36Å; C893-F895 VanDerWaalsContact O-N 3.17Å; C893-Y896 WeakPolarHBondContact O-CB 3.29Å; C893-Y896 PolarHBondContact O-N 3.44Å; C893-Y896 PolarHBondContact SG-N 2.95Å; C893-Y896 VanDerWaalsContact SG-N 3.39Å; C893-L897 PolarHBondContact O-N 3.37Å; C893-C906 VanDerWaalsContact SG-SG 3.61Å; C893-F908 VanDerWaalsContact CA-CB 3.46Å; C893-F908 HydrophobicContact CB-CB 3.6Å; C893-A909 WeakPolarHBondContact CB-O 3.4Å; C893-A909 PolarHBondContact N-O 3.38Å |
| 894 | S | 90 | Very high | 78.4 | Confident | 79 Ų | 79 | 101 Ų | 101 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -29.9 | 176.8 | -49.9 | 0 | 0 | 0 | 0 | 113.7 | A892 R898 | A892-S894 PolarHBondContact O-N 3.3Å; S894-R898 WeakPolarHBondContact O-CG 3.25Å; S894-R898 PolarHBondContact O-N 3.28Å |
| 895 | F | 93.3 | Very high | 80.8 | Confident | 128 Ų | 128 | 103.1 Ų | 103.1 | 56% | 0.561 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -32 | 174.5 | -66.3 | -80.2 | 0 | 0 | 0 | 112.7 | C893 R898 G899 H900 C901 | C893-F895 PolarHBondContact O-N 3.36Å; C893-F895 VanDerWaalsContact O-N 3.17Å; F895-R898 CarbonylContact O-C 3.59Å; F895-R898 PolarHBondContact O-N 3.25Å; F895-G899 PolarHBondContact O-N 2.8Å; F895-H900 WeakPolarHBondContact O-CA 3.13Å; F895-H900 PolarHBondContact O-N 3.11Å; F895-C901 HydrophobicContact CB-CB 3.89Å; F895-C901 PolarHBondContact O-N 2.79Å; F895-C901 VanDerWaalsContact O-N 3.13Å |
| 896 | Y | 93 | Very high | 82.9 | Confident | 110 Ų | 110 | 100.7 Ų | 100.7 | 43% | 0.431 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -41.6 | 175.3 | -178.4 | -97.4 | 0 | 0 | 0 | 111.2 | C893 R898 G899 H910 | C893-Y896 WeakPolarHBondContact O-CB 3.29Å; C893-Y896 PolarHBondContact O-N 3.44Å; C893-Y896 PolarHBondContact SG-N 2.95Å; C893-Y896 VanDerWaalsContact SG-N 3.39Å; Y896-R898 PolarHBondContact O-N 3.37Å; Y896-R898 VanDerWaalsContact O-N 3.11Å; Y896-G899 PolarHBondContact O-N 2.9Å; Y896-H910 VanDerWaalsContact CB-CD2 3.46Å; Y896-H910 WeakPolarHBondContact CB-CD2 3.5Å; Y896-H910 HydrophobicContact CD1-CB 4.17Å; Y896-H910 HydrophobicContact CD2-CB 3.8Å; Y896-H910 AromaticContact CD2-CD2 3.69Å; Y896-H910 AromaticContact CD2-CG 3.49Å; Y896-H910 VanDerWaalsContact CD2-CG 3.49Å; Y896-H910 AromaticContact CD2-ND1 3.75Å; Y896-H910 HydrophobicContact CE1-CB 4.19Å; Y896-H910 WeakPolarHBondContact CE1-O 3.36Å; Y896-H910 HydrophobicContact CE2-CB 3.82Å; Y896-H910 AromaticContact CE2-CG 3.95Å; Y896-H910 HydrophobicContact CG-CB 3.98Å; Y896-H910 AromaticContact CG-CD2 3.6Å; Y896-H910 AromaticContact CG-CG 3.77Å |
| 897 | L | 90.9 | Very high | 84.7 | Confident | 88 Ų | 88 | 105 Ų | 105 | 46% | 0.461 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -20.9 | 171.7 | -71.2 | 169.2 | 0 | 0 | 0 | 113.3 | A892 C893 L912 F933 | A892-L897 HydrophobicContact CB-CD1 3.99Å; C893-L897 PolarHBondContact O-N 3.37Å; L897-L912 HydrophobicContact CD2-CD1 3.7Å; L897-L912 HydrophobicContact CD2-CD2 3.85Å; L897-L912 HydrophobicContact CD2-CG 4.44Å; L897-L912 HydrophobicContact CG-CD2 4.43Å; L897-F933 HydrophobicContact CD1-CZ 4.2Å; L897-F933 HydrophobicContact CD2-CZ 4.13Å |
| 898 | R | 92.9 | Very high | 86.7 | Confident | 182 Ų | 182 | 106.1 Ų | 106.1 | 69% | 0.687 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | 2.5 | 172.9 | -68.7 | 176.6 | 177.6 | 173.2 | -1.4 | 114 | S894 F895 Y896 H900 | S894-R898 WeakPolarHBondContact O-CG 3.25Å; S894-R898 PolarHBondContact O-N 3.28Å; F895-R898 CarbonylContact O-C 3.59Å; F895-R898 PolarHBondContact O-N 3.25Å; Y896-R898 PolarHBondContact O-N 3.37Å; Y896-R898 VanDerWaalsContact O-N 3.11Å; R898-H900 VanDerWaalsContact C-N 3.33Å; R898-H900 PolarHBondContact O-CE1 3.45Å; R898-H900 PolarHBondContact O-N 3.21Å; R898-H900 PolarHBondContact O-ND1 3.13Å |
| 899 | G | 92.1 | Very high | 88.4 | Confident | 65 Ų | 65 | 102.6 Ų | 102.6 | 67% | 0.67 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 25.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | F895 Y896 | F895-G899 PolarHBondContact O-N 2.8Å; Y896-G899 PolarHBondContact O-N 2.9Å |
| 900 | H | 92.7 | Very high | 89.6 | Confident | 136 Ų | 136 | 99.7 Ų | 99.7 | 63% | 0.63 | 47% | 0.472 | S | S | * | . | | | trans | -124.3 | -2.6 | -172.3 | -65.2 | -14.4 | 0 | 0 | 0 | 114.6 | F895 R898 K902 | F895-H900 WeakPolarHBondContact O-CA 3.13Å; F895-H900 PolarHBondContact O-N 3.11Å; R898-H900 VanDerWaalsContact C-N 3.33Å; R898-H900 PolarHBondContact O-CE1 3.45Å; R898-H900 PolarHBondContact O-N 3.21Å; R898-H900 PolarHBondContact O-ND1 3.13Å; H900-K902 PolarHBondContact O-N 2.81Å |
| 901 | C | 94.5 | Very high | 90.4 | Very high | 32 Ų | 32 | 96.4 Ų | 96.4 | 22% | 0.216 | 47% | 0.465 | C | S | . | . | | | trans | -72.1 | 124.7 | 175.3 | -163.5 | 0 | 0 | 0 | 0 | 110.9 | F895 H910 | F895-C901 HydrophobicContact CB-CB 3.89Å; F895-C901 PolarHBondContact O-N 2.79Å; F895-C901 VanDerWaalsContact O-N 3.13Å; C901-H910 VanDerWaalsContact SG-CE1 3.56Å; C901-H910 PolarHBondContact SG-NE2 3.48Å |
| 902 | K | 91.4 | Very high | 90.6 | Very high | 200 Ų | 200 | 89.4 Ų | 89.4 | 87% | 0.87 | 44% | 0.44 | S | S | * | . | | | trans | -112.5 | 8.7 | 174.6 | -60.4 | -173.7 | 179.7 | -176.4 | 0 | 113.3 | H900 | H900-K902 PolarHBondContact O-N 2.81Š|
| 903 | K | 89.1 | Confident | 90.3 | Very high | 150 Ų | 150 | 93 Ų | 93 | 65% | 0.652 | 46% | 0.46 | S | S | * | . | | | trans | -86.6 | 114.6 | 175.9 | -65 | -173.1 | 177.4 | -173.8 | 0 | 108.7 | C906 H910 | K903-C906 HydrophobicContact CB-CB 4.16Å; K903-H910 PolarHBondContact O-CE1 3.31Å |
| 904 | E | 83.3 | Confident | 89.9 | Confident | 178 Ų | 178 | 97 Ų | 97 | 83% | 0.832 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -51.5 | 168.6 | 48.9 | -122.6 | 112.2 | 0 | 0 | 110.8 | C906 | E904-C906 PolarHBondContact O-N 3.48Š|
| 905 | D | 85.7 | Confident | 90 | Very high | 138 Ų | 138 | 93.7 Ų | 93.7 | 74% | 0.738 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 44.8 | 172.9 | -69.3 | -52.7 | 0 | 0 | 0 | 114 | E907 | D905-E907 PolarHBondContact O-N 2.9Š|
| 906 | C | 90.1 | Very high | 89.9 | Confident | 9 Ų | 9 | 88.9 Ų | 88.9 | 6% | 0.061 | 44% | 0.435 | C | S | . | . | | | trans | -56.6 | 138.7 | -178.8 | -165.8 | 0 | 0 | 0 | 0 | 112.5 | K888 C893 K903 E904 F908 H910 | K888-C906 WeakPolarHBondContact CE-O 3.47Å; K888-C906 PolarHBondContact NZ-O 2.91Å; C893-C906 VanDerWaalsContact SG-SG 3.61Å; K903-C906 HydrophobicContact CB-CB 4.16Å; E904-C906 PolarHBondContact O-N 3.48Å; C906-F908 PolarHBondContact SG-O 3.36Å; C906-F908 VanDerWaalsContact SG-O 3.34Å; C906-H910 VanDerWaalsContact CB-CE1 3.47Å; C906-H910 WeakPolarHBondContact CB-CE1 3.25Å; C906-H910 VanDerWaalsContact CB-NE2 3.28Å; C906-H910 WeakPolarHBondContact CB-NE2 3.28Å; C906-H910 PolarHBondContact SG-NE2 3.02Å |
| 907 | E | 87.1 | Confident | 90 | Very high | 137 Ų | 137 | 83.8 Ų | 83.8 | 64% | 0.64 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -73.8 | -29.4 | 176.7 | -166.6 | 167.6 | -173.3 | 0 | 0 | 112.4 | K888 D905 | K888-E907 VanDerWaalsContact CG-O 3.25Å; K888-E907 WeakPolarHBondContact CG-O 3.49Å; D905-E907 PolarHBondContact O-N 2.9Å |
| 908 | F | 90.6 | Very high | 90 | Very high | 91 Ų | 91 | 86.3 Ų | 86.3 | 40% | 0.399 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -100.2 | 150.5 | 178.1 | -53.1 | -76.1 | 0 | 0 | 0 | 110.9 | R891 C893 C906 H910 | R891-F908 HydrophobicContact CB-CD1 4.43Å; C893-F908 VanDerWaalsContact CA-CB 3.46Å; C893-F908 HydrophobicContact CB-CB 3.6Å; C906-F908 PolarHBondContact SG-O 3.36Å; C906-F908 VanDerWaalsContact SG-O 3.34Å; F908-H910 PolarHBondContact O-N 2.98Å |
| 909 | A | 89.1 | Confident | 90 | Very high | 1 Ų | 1 | 83.4 Ų | 83.4 | 1% | 0.008 | 42% | 0.416 | C | S | . | . | B | Isolated β-bridge | trans | -63.9 | 130.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | W889 R891 A892 C893 V915 | W889-A909 HydrophobicContact CB-CB 3.84Å; W889-A909 HydrophobicContact CG-CB 4.11Å; R891-A909 WeakPolarHBondContact O-CB 3.28Å; R891-A909 PolarHBondContact O-N 3.25Å; A892-A909 CarbonylContact C-O 3.54Å; A892-A909 WeakPolarHBondContact CA-O 3.33Å; C893-A909 WeakPolarHBondContact CB-O 3.4Å; C893-A909 PolarHBondContact N-O 3.38Å; A909-V915 HydrophobicContact CB-CG2 3.45Å; A909-V915 VanDerWaalsContact CB-CG2 3.45Å |
| 910 | H | 90.7 | Very high | 90.1 | Very high | 48 Ų | 48 | 84.7 Ų | 84.7 | 22% | 0.222 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -88.8 | -31.2 | 163.8 | -67.6 | 178.3 | 0 | 0 | 0 | 111 | Y896 C901 K903 C906 F908 L912 | Y896-H910 VanDerWaalsContact CB-CD2 3.46Å; Y896-H910 WeakPolarHBondContact CB-CD2 3.5Å; Y896-H910 HydrophobicContact CD1-CB 4.17Å; Y896-H910 HydrophobicContact CD2-CB 3.8Å; Y896-H910 AromaticContact CD2-CD2 3.69Å; Y896-H910 AromaticContact CD2-CG 3.49Å; Y896-H910 VanDerWaalsContact CD2-CG 3.49Å; Y896-H910 AromaticContact CD2-ND1 3.75Å; Y896-H910 HydrophobicContact CE1-CB 4.19Å; Y896-H910 WeakPolarHBondContact CE1-O 3.36Å; Y896-H910 HydrophobicContact CE2-CB 3.82Å; Y896-H910 AromaticContact CE2-CG 3.95Å; Y896-H910 HydrophobicContact CG-CB 3.98Å; Y896-H910 AromaticContact CG-CD2 3.6Å; Y896-H910 AromaticContact CG-CG 3.77Å; C901-H910 VanDerWaalsContact SG-CE1 3.56Å; C901-H910 PolarHBondContact SG-NE2 3.48Å; K903-H910 PolarHBondContact O-CE1 3.31Å; C906-H910 VanDerWaalsContact CB-CE1 3.47Å; C906-H910 WeakPolarHBondContact CB-CE1 3.25Å; C906-H910 VanDerWaalsContact CB-NE2 3.28Å; C906-H910 WeakPolarHBondContact CB-NE2 3.28Å; C906-H910 PolarHBondContact SG-NE2 3.02Å; F908-H910 PolarHBondContact O-N 2.98Å; H910-L912 PolarHBondContact O-N 2.95Å |
| 911 | D | 89.8 | Confident | 90.1 | Very high | 61 Ų | 61 | 83 Ų | 83 | 33% | 0.326 | 39% | 0.393 | S | S | . | . | | | trans | -78.3 | 98.2 | 173.5 | -175.4 | -1.8 | 0 | 0 | 0 | 110.7 | T913 K914 | D911-T913 PolarHBondContact O-N 3.44Å; D911-T913 WeakPolarHBondContact OD1-CB 3.33Å; D911-T913 PolarHBondContact OD1-N 3.4Å; D911-T913 PolarHBondContact OD1-OG1 2.87Å; D911-K914 HydrophobicContact CB-CD 4.37Å; D911-K914 PolarHBondContact O-N 2.79Å; D911-K914 VanDerWaalsContact OD2-CD 3.25Å; D911-K914 WeakPolarHBondContact OD2-CD 3.42Å; D911-K914 WeakPolarHBondContact OD2-CE 3.36Å; D911-K914 WeakPolarHBondContact OD2-CG 3.5Å; D911-K914 IonicContact OD2-NZ 3.62Å |
| 912 | L | 90.3 | Very high | 90 | Very high | 27 Ų | 27 | 85.9 Ų | 85.9 | 14% | 0.141 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -68.9 | -20.3 | 178.9 | -53.7 | 179.7 | 0 | 0 | 0 | 112.5 | A892 L897 H910 K914 V915 P932 F933 | A892-L912 HydrophobicContact CB-CD2 3.5Å; A892-L912 VanDerWaalsContact CB-CD2 3.5Å; L897-L912 HydrophobicContact CD2-CD1 3.7Å; L897-L912 HydrophobicContact CD2-CD2 3.85Å; L897-L912 HydrophobicContact CD2-CG 4.44Å; L897-L912 HydrophobicContact CG-CD2 4.43Å; H910-L912 PolarHBondContact O-N 2.95Å; L912-K914 PolarHBondContact O-N 2.93Å; L912-V915 PolarHBondContact O-N 3.05Å; L912-V915 VanDerWaalsContact O-N 3.08Å; L912-P932 CarbonylContact C-O 3.59Å; L912-P932 WeakPolarHBondContact CB-O 3.45Å; L912-P932 HydrophobicContact CD1-CB 4.03Å; L912-F933 HydrophobicContact CD2-CE1 4.08Å |
| 913 | T | 86.2 | Confident | 90 | Very high | 91 Ų | 91 | 79.6 Ų | 79.6 | 56% | 0.558 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -71.3 | -9.8 | 177.4 | 76.7 | 0 | 0 | 0 | 0 | 112.9 | D911 L934 | D911-T913 PolarHBondContact O-N 3.44Å; D911-T913 WeakPolarHBondContact OD1-CB 3.33Å; D911-T913 PolarHBondContact OD1-N 3.4Å; D911-T913 PolarHBondContact OD1-OG1 2.87Å; T913-L934 WeakPolarHBondContact O-CB 3.41Å; T913-L934 WeakPolarHBondContact O-CD2 3.22Å |
| 914 | K | 86.1 | Confident | 90.2 | Very high | 85 Ų | 85 | 77.5 Ų | 77.5 | 37% | 0.37 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -103.1 | -3.8 | 172.4 | -65.1 | 177.4 | -177.4 | 174.2 | 0 | 113.5 | D911 L912 P938 | D911-K914 HydrophobicContact CB-CD 4.37Å; D911-K914 PolarHBondContact O-N 2.79Å; D911-K914 VanDerWaalsContact OD2-CD 3.25Å; D911-K914 WeakPolarHBondContact OD2-CD 3.42Å; D911-K914 WeakPolarHBondContact OD2-CE 3.36Å; D911-K914 WeakPolarHBondContact OD2-CG 3.5Å; D911-K914 IonicContact OD2-NZ 3.62Å; L912-K914 PolarHBondContact O-N 2.93Å; K914-P938 WeakPolarHBondContact O-CG 3.47Å |
| 915 | V | 90.7 | Very high | 90.8 | Very high | 10 Ų | 10 | 70.1 Ų | 70.1 | 6% | 0.061 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -102.9 | 114.1 | -179.9 | -177.1 | 0 | 0 | 0 | 0 | 109.1 | A892 A909 L912 C917 F933 L934 | A892-V915 HydrophobicContact CB-CG1 4.29Å; A892-V915 HydrophobicContact CB-CG2 4.18Å; A909-V915 HydrophobicContact CB-CG2 3.45Å; A909-V915 VanDerWaalsContact CB-CG2 3.45Å; L912-V915 PolarHBondContact O-N 3.05Å; L912-V915 VanDerWaalsContact O-N 3.08Å; V915-C917 PolarHBondContact O-N 3.31Å; V915-F933 HydrophobicContact CB-CD1 4.11Å; V915-F933 HydrophobicContact CG1-CD1 3.95Å; V915-F933 HydrophobicContact CG1-CE1 4.26Å; V915-L934 PolarHBondContact O-N 3.34Å |
| 916 | T | 92.4 | Very high | 91.2 | Very high | 27 Ų | 27 | 73.2 Ų | 73.2 | 17% | 0.166 | 36% | 0.364 | C | S | . | . | B | Isolated β-bridge | trans | -51.8 | 129.5 | 173.8 | -48.1 | 0 | 0 | 0 | 0 | 110.6 | K918 W920 E921 G936 Y937 P938 | T916-K918 PolarHBondContact O-N 2.92Å; T916-K918 VanDerWaalsContact O-N 3.14Å; T916-W920 HydrophobicContact CG2-CE3 3.92Å; T916-W920 HydrophobicContact CG2-CZ3 3.95Å; T916-E921 HydrophobicContact CG2-CB 4.27Å; T916-G936 PolarHBondContact OG1-O 2.85Å; T916-Y937 HydrophobicContact CG2-CD1 4.23Å; T916-Y937 HydrophobicContact CG2-CE1 4.2Å; T916-P938 WeakPolarHBondContact OG1-CD 3.11Å |
| 917 | C | 93.6 | Very high | 91.2 | Very high | 4 Ų | 4 | 78.8 Ų | 78.8 | 3% | 0.027 | 39% | 0.387 | C | S | . | . | | | trans | -69.8 | 109.7 | 173.6 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | V915 F919 W920 E921 C931 F933 L934 | V915-C917 PolarHBondContact O-N 3.31Å; C917-F919 PolarHBondContact O-N 2.83Å; C917-F919 VanDerWaalsContact O-N 3.16Å; C917-W920 HydrophobicContact CB-CB 3.75Å; C917-W920 WeakPolarHBondContact O-CA 3.4Å; C917-W920 WeakPolarHBondContact O-CB 3.44Å; C917-W920 PolarHBondContact O-N 3.19Å; C917-E921 PolarHBondContact O-N 2.85Å; C917-C931 PolarHBondContact SG-SG 3.44Å; C917-F933 HydrophobicContact CB-CB 3.5Å; C917-L934 WeakPolarHBondContact CB-O 3.46Å; C917-L934 PolarHBondContact N-O 3.34Å |
| 918 | K | 90.9 | Very high | 91.3 | Very high | 140 Ų | 140 | 73.9 Ų | 73.9 | 61% | 0.609 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -52.4 | -39 | 178.4 | -171.8 | -174.2 | 176.3 | -170.6 | 0 | 112.8 | T916 W920 E921 M922 | T916-K918 PolarHBondContact O-N 2.92Å; T916-K918 VanDerWaalsContact O-N 3.14Å; K918-W920 VanDerWaalsContact C-N 3.35Å; K918-E921 PolarHBondContact O-N 3.32Å; K918-M922 HydrophobicContact CG-CE 4.29Å; K918-M922 HydrophobicContact CG-SD 4.36Å; K918-M922 VanDerWaalsContact O-CG 3.31Å; K918-M922 WeakPolarHBondContact O-CG 3.21Å; K918-M922 PolarHBondContact O-N 3.49Å; K918-M922 VanDerWaalsContact O-N 3.14Å |
| 919 | F | 93.9 | Very high | 91.1 | Very high | 122 Ų | 122 | 75.6 Ų | 75.6 | 54% | 0.535 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.9 | -32.3 | 176.8 | -61 | -75 | 0 | 0 | 0 | 112.4 | C917 M922 G923 E924 C925 | C917-F919 PolarHBondContact O-N 2.83Å; C917-F919 VanDerWaalsContact O-N 3.16Å; F919-M922 HydrophobicContact CD1-CE 3.83Å; F919-M922 HydrophobicContact CE1-CE 4.31Å; F919-M922 PolarHBondContact O-N 3.35Å; F919-G923 CarbonylContact O-C 3.53Å; F919-G923 PolarHBondContact O-N 3.44Å; F919-G923 VanDerWaalsContact O-N 3.11Å; F919-E924 CarbonylContact O-C 3.59Å; F919-E924 WeakPolarHBondContact O-CA 3.44Å; F919-E924 PolarHBondContact O-N 2.91Å; F919-C925 HydrophobicContact CB-CB 3.91Å; F919-C925 PolarHBondContact O-N 3.38Å |
| 920 | W | 94.4 | Very high | 91.2 | Very high | 91 Ų | 91 | 80.9 Ų | 80.9 | 35% | 0.345 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -72.8 | -39.7 | 175.7 | 168.9 | 85.2 | 0 | 0 | 0 | 111.4 | T916 C917 K918 M922 G923 C925 H935 Y937 | T916-W920 HydrophobicContact CG2-CE3 3.92Å; T916-W920 HydrophobicContact CG2-CZ3 3.95Å; C917-W920 HydrophobicContact CB-CB 3.75Å; C917-W920 WeakPolarHBondContact O-CA 3.4Å; C917-W920 WeakPolarHBondContact O-CB 3.44Å; C917-W920 PolarHBondContact O-N 3.19Å; K918-W920 VanDerWaalsContact C-N 3.35Å; W920-M922 PolarHBondContact O-N 3.23Å; W920-G923 PolarHBondContact O-N 2.95Å; W920-C925 HydrophobicContact CB-CB 3.9Å; W920-H935 AromaticContact CD1-CD2 3.96Å; W920-H935 AromaticContact CD1-CE1 3.97Å; W920-H935 AromaticContact CD1-CG 3.42Å; W920-H935 VanDerWaalsContact CD1-CG 3.42Å; W920-H935 AromaticContact CD1-ND1 3.45Å; W920-H935 HydrophobicContact CD2-CB 4.17Å; W920-H935 VanDerWaalsContact CE2-C 3.5Å; W920-H935 HydrophobicContact CG-CB 3.91Å; W920-H935 AromaticContact CG-CD2 3.78Å; W920-H935 AromaticContact CG-CG 3.66Å; W920-Y937 HydrophobicContact CH2-CD2 4.47Å; W920-Y937 HydrophobicContact CH2-CE2 4.31Å; W920-Y937 HydrophobicContact CZ3-CD2 4.47Å; W920-Y937 HydrophobicContact CZ3-CE2 4.22Å |
| 921 | E | 92.5 | Very high | 91.3 | Very high | 101 Ų | 101 | 79.5 Ų | 79.5 | 47% | 0.472 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58.5 | -32.9 | 173.7 | 179.3 | 173.5 | -138.9 | 0 | 0 | 111.9 | T916 C917 K918 Y937 | T916-E921 HydrophobicContact CG2-CB 4.27Å; C917-E921 PolarHBondContact O-N 2.85Å; K918-E921 PolarHBondContact O-N 3.32Å; E921-Y937 PolarHBondContact OE1-OH 3.44Å |
| 922 | M | 91.6 | Very high | 91.4 | Very high | 93 Ų | 93 | 79.9 Ų | 79.9 | 46% | 0.458 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -6.1 | 172.8 | -60.7 | -178.8 | -45 | 0 | 0 | 114.2 | K918 F919 W920 E924 | K918-M922 HydrophobicContact CG-CE 4.29Å; K918-M922 HydrophobicContact CG-SD 4.36Å; K918-M922 VanDerWaalsContact O-CG 3.31Å; K918-M922 WeakPolarHBondContact O-CG 3.21Å; K918-M922 PolarHBondContact O-N 3.49Å; K918-M922 VanDerWaalsContact O-N 3.14Å; F919-M922 HydrophobicContact CD1-CE 3.83Å; F919-M922 HydrophobicContact CE1-CE 4.31Å; F919-M922 PolarHBondContact O-N 3.35Å; W920-M922 PolarHBondContact O-N 3.23Å; M922-E924 HydrophobicContact CB-CG 4.33Å |
| 923 | G | 92.4 | Very high | 91.5 | Very high | 68 Ų | 68 | 81.4 Ų | 81.4 | 70% | 0.701 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | 4.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | F919 W920 | F919-G923 CarbonylContact O-C 3.53Å; F919-G923 PolarHBondContact O-N 3.44Å; F919-G923 VanDerWaalsContact O-N 3.11Å; W920-G923 PolarHBondContact O-N 2.95Å |
| 924 | E | 93.7 | Very high | 91.8 | Very high | 106 Ų | 106 | 79.5 Ų | 79.5 | 50% | 0.495 | 42% | 0.422 | S | S | . | . | | | trans | -102.3 | 9.3 | -171.3 | -57 | -177 | 145.7 | 0 | 0 | 114.3 | F919 M922 F926 | F919-E924 CarbonylContact O-C 3.59Å; F919-E924 WeakPolarHBondContact O-CA 3.44Å; F919-E924 PolarHBondContact O-N 2.91Å; M922-E924 HydrophobicContact CB-CG 4.33Å; E924-F926 WeakPolarHBondContact O-CD2 3.42Å; E924-F926 VanDerWaalsContact O-CE2 3.26Å; E924-F926 WeakPolarHBondContact O-CE2 3.42Å; E924-F926 PolarHBondContact O-N 3.48Å |
| 925 | C | 95.8 | Very high | 92.1 | Very high | 23 Ų | 23 | 78.6 Ų | 78.6 | 16% | 0.155 | 42% | 0.419 | C | S | . | . | | | trans | -79.2 | 89.1 | -176 | -167.3 | 0 | 0 | 0 | 0 | 114 | F919 W920 K927 G928 C931 H935 | F919-C925 HydrophobicContact CB-CB 3.91Å; F919-C925 PolarHBondContact O-N 3.38Å; W920-C925 HydrophobicContact CB-CB 3.9Å; C925-K927 PolarHBondContact O-N 2.96Å; C925-G928 PolarHBondContact O-N 3.19Å; C925-C931 VanDerWaalsContact SG-SG 3.69Å; C925-H935 VanDerWaalsContact SG-CE1 3.55Å; C925-H935 PolarHBondContact SG-NE2 3.27Å |
| 926 | F | 93 | Very high | 92 | Very high | 202 Ų | 202 | 79 Ų | 79 | 89% | 0.886 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -12.2 | 173.9 | -55.5 | -74.5 | 0 | 0 | 0 | 115.3 | E924 G928 | E924-F926 WeakPolarHBondContact O-CD2 3.42Å; E924-F926 VanDerWaalsContact O-CE2 3.26Å; E924-F926 WeakPolarHBondContact O-CE2 3.42Å; E924-F926 PolarHBondContact O-N 3.48Å; F926-G928 VanDerWaalsContact C-N 3.35Å |
| 927 | K | 90.9 | Very high | 91.9 | Very high | 126 Ų | 126 | 83.2 Ų | 83.2 | 55% | 0.548 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -19.1 | 180 | -63.1 | -175 | -179.8 | -65.4 | 0 | 113.5 | C925 S929 T930 C931 | C925-K927 PolarHBondContact O-N 2.96Å; K927-S929 PolarHBondContact O-N 3.45Å; K927-T930 WeakPolarHBondContact O-CA 3.44Å; K927-T930 WeakPolarHBondContact O-CB 3.23Å; K927-T930 PolarHBondContact O-N 3.21Å; K927-T930 PolarHBondContact O-OG1 3.25Å; K927-C931 HydrophobicContact CB-CB 3.84Å |
| 928 | G | 88.2 | Confident | 91.2 | Very high | 34 Ų | 34 | 83.8 Ų | 83.8 | 35% | 0.351 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | 51.9 | -132.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | C925 F926 T930 C931 H935 | C925-G928 PolarHBondContact O-N 3.19Å; F926-G928 VanDerWaalsContact C-N 3.35Å; G928-T930 PolarHBondContact O-N 3.43Å; G928-C931 WeakPolarHBondContact O-CB 3.35Å; G928-C931 PolarHBondContact O-N 2.93Å; G928-H935 PolarHBondContact O-CE1 2.82Å; G928-H935 PolarHBondContact O-ND1 2.62Å |
| 929 | S | 86.4 | Confident | 90.2 | Very high | 128 Ų | 128 | 82.1 Ų | 82.1 | 90% | 0.895 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -68 | -9.1 | 176 | 51.5 | 0 | 0 | 0 | 0 | 115.1 | K927 C931 | K927-S929 PolarHBondContact O-N 3.45Å; S929-C931 VanDerWaalsContact C-N 3.32Å |
| 930 | T | 91 | Very high | 88.9 | Confident | 111 Ų | 111 | 80.4 Ų | 80.4 | 68% | 0.681 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -89.8 | 4.6 | 173.7 | 73.1 | 0 | 0 | 0 | 0 | 113 | K927 G928 | K927-T930 WeakPolarHBondContact O-CA 3.44Å; K927-T930 WeakPolarHBondContact O-CB 3.23Å; K927-T930 PolarHBondContact O-N 3.21Å; K927-T930 PolarHBondContact O-OG1 3.25Å; G928-T930 PolarHBondContact O-N 3.43Å |
| 931 | C | 93.7 | Very high | 87 | Confident | 19 Ų | 19 | 77.3 Ų | 77.3 | 13% | 0.128 | 43% | 0.429 | C | S | . | . | | | trans | -70.9 | 128.3 | 173.7 | -161.4 | 0 | 0 | 0 | 0 | 110.3 | C917 C925 K927 G928 S929 F933 H935 | C917-C931 PolarHBondContact SG-SG 3.44Å; C925-C931 VanDerWaalsContact SG-SG 3.69Å; K927-C931 HydrophobicContact CB-CB 3.84Å; G928-C931 WeakPolarHBondContact O-CB 3.35Å; G928-C931 PolarHBondContact O-N 2.93Å; S929-C931 VanDerWaalsContact C-N 3.32Å; C931-F933 PolarHBondContact O-N 3.31Å; C931-H935 WeakPolarHBondContact CB-NE2 3.45Å; C931-H935 PolarHBondContact SG-NE2 3.03Å |
| 932 | P | 90.9 | Very high | 85 | Confident | 70 Ų | 70 | 77.2 Ų | 77.2 | 46% | 0.455 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -75.8 | -9.1 | 174.9 | 31.4 | -35.2 | 0 | 0 | 0 | 112.9 | L912 | L912-P932 CarbonylContact C-O 3.59Å; L912-P932 WeakPolarHBondContact CB-O 3.45Å; L912-P932 HydrophobicContact CD1-CB 4.03Å |
| 933 | F | 93.1 | Very high | 83.1 | Confident | 58 Ų | 58 | 78.9 Ų | 78.9 | 25% | 0.254 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -99.9 | 150.5 | 178 | -64.3 | -91.1 | 0 | 0 | 0 | 110.7 | A892 L897 L912 V915 C917 C931 H935 | A892-F933 HydrophobicContact CB-CE1 3.74Å; A892-F933 HydrophobicContact CB-CZ 4.48Å; L897-F933 HydrophobicContact CD1-CZ 4.2Å; L897-F933 HydrophobicContact CD2-CZ 4.13Å; L912-F933 HydrophobicContact CD2-CE1 4.08Å; V915-F933 HydrophobicContact CB-CD1 4.11Å; V915-F933 HydrophobicContact CG1-CD1 3.95Å; V915-F933 HydrophobicContact CG1-CE1 4.26Å; C917-F933 HydrophobicContact CB-CB 3.5Å; C931-F933 PolarHBondContact O-N 3.31Å; F933-H935 PolarHBondContact O-CD2 3.24Å; F933-H935 PolarHBondContact O-N 3.05Å |
| 934 | L | 91.8 | Very high | 80.9 | Confident | 52 Ų | 52 | 82 Ų | 82 | 27% | 0.272 | 44% | 0.438 | S | S | . | . | B | Isolated β-bridge | trans | -63.7 | 126.7 | -175 | -172.9 | 62 | 0 | 0 | 0 | 112.7 | T913 V915 C917 G936 P938 | T913-L934 WeakPolarHBondContact O-CB 3.41Å; T913-L934 WeakPolarHBondContact O-CD2 3.22Å; V915-L934 PolarHBondContact O-N 3.34Å; C917-L934 WeakPolarHBondContact CB-O 3.46Å; C917-L934 PolarHBondContact N-O 3.34Å; L934-G936 VanDerWaalsContact C-N 3.26Å; L934-G936 VanDerWaalsContact CD2-O 3.31Å; L934-G936 WeakPolarHBondContact CD2-O 3.38Å; L934-G936 WeakPolarHBondContact CG-O 3.48Å; L934-G936 PolarHBondContact O-N 3.4Å; L934-P938 HydrophobicContact CD2-CB 4.15Å |
| 935 | H | 93.3 | Very high | 78.4 | Confident | 66 Ų | 66 | 85.2 Ų | 85.2 | 31% | 0.306 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -89.8 | 65.5 | 169.2 | -78.3 | -156.6 | 0 | 0 | 0 | 109.9 | W920 C925 G928 C931 F933 | W920-H935 AromaticContact CD1-CD2 3.96Å; W920-H935 AromaticContact CD1-CE1 3.97Å; W920-H935 AromaticContact CD1-CG 3.42Å; W920-H935 VanDerWaalsContact CD1-CG 3.42Å; W920-H935 AromaticContact CD1-ND1 3.45Å; W920-H935 HydrophobicContact CD2-CB 4.17Å; W920-H935 VanDerWaalsContact CE2-C 3.5Å; W920-H935 HydrophobicContact CG-CB 3.91Å; W920-H935 AromaticContact CG-CD2 3.78Å; W920-H935 AromaticContact CG-CG 3.66Å; C925-H935 VanDerWaalsContact SG-CE1 3.55Å; C925-H935 PolarHBondContact SG-NE2 3.27Å; G928-H935 PolarHBondContact O-CE1 2.82Å; G928-H935 PolarHBondContact O-ND1 2.62Å; C931-H935 WeakPolarHBondContact CB-NE2 3.45Å; C931-H935 PolarHBondContact SG-NE2 3.03Å; F933-H935 PolarHBondContact O-CD2 3.24Å; F933-H935 PolarHBondContact O-N 3.05Å |
| 936 | G | 89.4 | Confident | 75.6 | Confident | 17 Ų | 17 | 92.2 Ų | 92.2 | 18% | 0.175 | 48% | 0.483 | C | S | . | . | S | Bend | trans | 169.2 | 164.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 110 | T916 L934 | T916-G936 PolarHBondContact OG1-O 2.85Å; L934-G936 VanDerWaalsContact C-N 3.26Å; L934-G936 VanDerWaalsContact CD2-O 3.31Å; L934-G936 WeakPolarHBondContact CD2-O 3.38Å; L934-G936 WeakPolarHBondContact CG-O 3.48Å; L934-G936 PolarHBondContact O-N 3.4Å |
| 937 | Y | 88.2 | Confident | 73 | Confident | 116 Ų | 116 | 90.9 Ų | 90.9 | 46% | 0.455 | 48% | 0.479 | S | S | . | . | | | trans | -85.5 | 134.9 | 165.9 | -62.3 | -79.7 | 0 | 0 | 0 | 109.1 | T916 W920 E921 | T916-Y937 HydrophobicContact CG2-CD1 4.23Å; T916-Y937 HydrophobicContact CG2-CE1 4.2Å; W920-Y937 HydrophobicContact CH2-CD2 4.47Å; W920-Y937 HydrophobicContact CH2-CE2 4.31Å; W920-Y937 HydrophobicContact CZ3-CD2 4.47Å; W920-Y937 HydrophobicContact CZ3-CE2 4.22Å; E921-Y937 PolarHBondContact OE1-OH 3.44Å |
| 938 | P | 80 | Confident | 70.3 | Confident | 16 Ų | 16 | 93.9 Ų | 93.9 | 10% | 0.104 | 52% | 0.516 | C | S | . | . | | | trans | -62.1 | 139.6 | 174.7 | 26.4 | -34.2 | 0 | 0 | 0 | 109.9 | K914 T916 L934 E940 L941 | K914-P938 WeakPolarHBondContact O-CG 3.47Å; T916-P938 WeakPolarHBondContact OG1-CD 3.11Å; L934-P938 HydrophobicContact CD2-CB 4.15Å; P938-E940 PolarHBondContact O-N 3.02Å; P938-L941 HydrophobicContact CG-CD1 3.69Å; P938-L941 HydrophobicContact CG-CG 3.94Å; P938-L941 PolarHBondContact O-N 3.45Å |
| 939 | P | 69.5 | Low | 69.5 | Low | 105 Ų | 105 | 96.9 Ų | 96.9 | 68% | 0.682 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -62.4 | -25.8 | -163.9 | 23.2 | -34.6 | 0 | 0 | 0 | 114.1 | L941 N942 | P939-L941 PolarHBondContact O-N 2.98Å; P939-L941 VanDerWaalsContact O-N 3.16Å; P939-N942 PolarHBondContact O-N 3.28Å |
| 940 | E | 66.1 | Low | 68.6 | Low | 87 Ų | 87 | 95.3 Ų | 95.3 | 41% | 0.407 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -61 | -19.8 | 177.2 | -58.6 | 172.6 | -164.6 | 0 | 0 | 113.2 | V886 P938 | V886-E940 HydrophobicContact CG1-CB 3.61Å; V886-E940 HydrophobicContact CG2-CB 4.21Å; P938-E940 PolarHBondContact O-N 3.02Å |
| 941 | L | 55.8 | Low | 67.3 | Low | 26 Ų | 26 | 94.4 Ų | 94.4 | 14% | 0.136 | 50% | 0.495 | C | S | . | . | G | 310 helix | trans | -88.7 | -17.7 | -178.5 | -58.7 | -173.9 | 0 | 0 | 0 | 114.6 | V886 R890 P938 P939 I943 | V886-L941 HydrophobicContact CG1-CD2 3.77Å; R890-L941 VanDerWaalsContact CZ-CD2 3.41Å; P938-L941 HydrophobicContact CG-CD1 3.69Å; P938-L941 HydrophobicContact CG-CG 3.94Å; P938-L941 PolarHBondContact O-N 3.45Å; P939-L941 PolarHBondContact O-N 2.98Å; P939-L941 VanDerWaalsContact O-N 3.16Å; L941-I943 PolarHBondContact O-N 3.09Å |
| 942 | N | 50.9 | Low | 65.8 | Low | 99 Ų | 99 | 98.8 Ų | 98.8 | 53% | 0.529 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -8.4 | 179.1 | -77.8 | -9.5 | 0 | 0 | 0 | 113.3 | P939 | P939-N942 PolarHBondContact O-N 3.28Š|
| 943 | I | 49.9 | Very low | 64.2 | Low | 127 Ų | 127 | 100.6 Ų | 100.6 | 65% | 0.651 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -29.4 | -175.9 | -55.6 | 177.4 | 0 | 0 | 0 | 111.5 | L941 Q945 | L941-I943 PolarHBondContact O-N 3.09Å; I943-Q945 VanDerWaalsContact C-N 3.29Å; I943-Q945 PolarHBondContact O-N 2.86Å |
| 944 | E | 46.4 | Very low | 62.3 | Low | 135 Ų | 135 | 103.5 Ų | 103.5 | 63% | 0.631 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -10.7 | -176.9 | -64 | -173.3 | 129.3 | 0 | 0 | 114 | R890 | R890-E944 IonicContact CZ-OE2 4Å; R890-E944 IonicContact NH2-OE2 2.76Å; R890-E944 PolarHBondContact NH2-OE2 3.23Å |
| 945 | Q | 41.7 | Very low | 60.2 | Low | 172 Ų | 172 | 107.1 Ų | 107.1 | 80% | 0.804 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -3.1 | -177.2 | -71.5 | -169.7 | -15.8 | 0 | 0 | 115.3 | I943 | I943-Q945 VanDerWaalsContact C-N 3.29Å; I943-Q945 PolarHBondContact O-N 2.86Å |
| 946 | Q | 36.5 | Very low | 57.6 | Low | 171 Ų | 171 | 110.3 Ų | 110.3 | 80% | 0.799 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -96.3 | 15.8 | 179.4 | -63.2 | -168.6 | -4.2 | 0 | 0 | 113.9 | | |
| 947 | H | 39.4 | Very low | 55 | Low | 174 Ų | 174 | 118.1 Ų | 118.1 | 81% | 0.806 | 61% | 0.61 | S | S | * | * | | | trans | -131.6 | 39.3 | -169.4 | -121.8 | -68.1 | 0 | 0 | 0 | 113.9 | | |
| 948 | S | 35.2 | Very low | 51.9 | Low | 189 Ų | 189 | 118.3 Ų | 118.3 | 100% | 1.322 | 63% | 0.625 | S | S | * | * | | | trans | -148.7 | 0 | 174.8 | -69.8 | 0 | 0 | 0 | 0 | 111.3 | | |