| 1 | M | 41.1 | Very low | 43.6 | Very low | 246 Ų | 246 | 160.6 Ų | 160.6 | 100% | 1.212 | 81% | 0.808 | S | S | * | * | | | | 0 | 139.2 | 0 | -73 | -177.3 | 141.8 | 0 | 0 | 108.2 | | |
| 2 | S | 38.6 | Very low | 43.2 | Very low | 96 Ų | 96 | 167 Ų | 167 | 67% | 0.671 | 82% | 0.816 | S | S | * | * | | | trans | -57.5 | 138.8 | -164.2 | 52.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 3 | F | 41.2 | Very low | 44.1 | Very low | 199 Ų | 199 | 162.4 Ų | 162.4 | 87% | 0.873 | 81% | 0.806 | S | S | * | * | | | | -175.8 | 114.9 | 115.8 | -90.9 | -71 | 0 | 0 | 0 | 107.6 | | |
| 4 | P | 55.8 | Low | 43.7 | Very low | 128 Ų | 128 | 163.4 Ų | 163.4 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | | | trans | -91.4 | 142.5 | 173.1 | 33.9 | -28.1 | 0 | 0 | 0 | 111.8 | | |
| 5 | Q | 47.1 | Very low | 43.3 | Very low | 170 Ų | 170 | 167.5 Ų | 167.5 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | | | trans | -86.8 | 162 | 171.9 | -174.4 | 137.7 | -3.8 | 0 | 0 | 109.8 | | |
| 6 | L | 50 | Low | 44.2 | Very low | 155 Ų | 155 | 163.4 Ų | 163.4 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | | | trans | 77.6 | 138.2 | 161.8 | -43 | 175.1 | 0 | 0 | 0 | 115 | | |
| 7 | G | 38.5 | Very low | 44.8 | Very low | 60 Ų | 60 | 160.8 Ų | 160.8 | 62% | 0.619 | 81% | 0.806 | S | S | * | * | | | cis | 155 | 176.5 | 15 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 8 | Y | 40.9 | Very low | 44.1 | Very low | 216 Ų | 216 | 162.4 Ų | 162.4 | 85% | 0.847 | 81% | 0.811 | S | S | * | * | | | trans | 98.1 | 108.6 | 171.4 | -62.2 | -80 | 0 | 0 | 0 | 118.3 | Y10 | Y8-Y10 HydrophobicContact CD1-CD2 4.11Å; Y8-Y10 HydrophobicContact CD1-CE2 4.03Å; Y8-Y10 HydrophobicContact CE1-CE2 4.41Å |
| 9 | Q | 43.4 | Very low | 43.5 | Very low | 162 Ų | 162 | 166.8 Ų | 166.8 | 76% | 0.757 | 82% | 0.817 | S | S | * | * | | | trans | -100.3 | 124.3 | 157.5 | -121.5 | -79.7 | 44.5 | 0 | 0 | 107 | | |
| 10 | Y | 40.4 | Very low | 43 | Very low | 199 Ų | 199 | 168.2 Ų | 168.2 | 78% | 0.78 | 82% | 0.822 | S | S | * | * | | | trans | -156 | 94.5 | 163.7 | -90 | -75.7 | 0 | 0 | 0 | 111.3 | Y8 | Y8-Y10 HydrophobicContact CD1-CD2 4.11Å; Y8-Y10 HydrophobicContact CD1-CE2 4.03Å; Y8-Y10 HydrophobicContact CE1-CE2 4.41Å |
| 11 | I | 42.2 | Very low | 42.6 | Very low | 136 Ų | 136 | 163.3 Ų | 163.3 | 70% | 0.697 | 81% | 0.814 | S | S | * | * | | | | 37.6 | 112.3 | 125 | -60.4 | 174.2 | 0 | 0 | 0 | 120.6 | | |
| 12 | R | 39.5 | Very low | 42.3 | Very low | 237 Ų | 237 | 160.2 Ų | 160.2 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | | | trans | 92.9 | 157.4 | 133 | -86.1 | -162.2 | -165.1 | -147.8 | 10.6 | 124.1 | | |
| 13 | P | 54.5 | Low | 42.3 | Very low | 107 Ų | 107 | 160.4 Ų | 160.4 | 70% | 0.695 | 81% | 0.808 | S | S | * | * | | | | -122.7 | 162.1 | -124.4 | 43.8 | -31.5 | 0 | 0 | 0 | 115.7 | | |
| 14 | I | 38.5 | Very low | 41.8 | Very low | 176 Ų | 176 | 154.7 Ų | 154.7 | 90% | 0.903 | 81% | 0.805 | S | S | * | * | | | trans | -148.9 | 138.8 | 159.9 | -52.5 | -179.4 | 0 | 0 | 0 | 109.7 | | |
| 15 | Y | 37.2 | Very low | 40.8 | Very low | 225 Ų | 225 | 154.5 Ų | 154.5 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | | | trans | -76.3 | -176.7 | -173.9 | -109.7 | -66.3 | 0 | 0 | 0 | 114.2 | | |
| 16 | P | 58.2 | Low | 40.2 | Very low | 102 Ų | 102 | 150.3 Ų | 150.3 | 66% | 0.662 | 80% | 0.802 | S | S | * | * | | | trans | -99.8 | -166.2 | -138.6 | 45.9 | -28.5 | 0 | 0 | 0 | 113.1 | | |
| 17 | P | 54.4 | Low | 39.6 | Very low | 120 Ų | 120 | 154.8 Ų | 154.8 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | | | | -152.5 | 172.4 | 76.1 | 35.7 | -12.5 | 0 | 0 | 0 | 117.4 | | |
| 18 | E | 32.2 | Very low | 39.5 | Very low | 189 Ų | 189 | 156.4 Ų | 156.4 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | | | trans | -56.2 | 150.7 | 172.7 | -80.2 | 124.5 | 145.9 | 0 | 0 | 115.6 | | |
| 19 | R | 33.1 | Very low | 39.2 | Very low | 247 Ų | 247 | 149.6 Ų | 149.6 | 93% | 0.932 | 81% | 0.811 | S | S | * | * | | | trans | -119 | 123.3 | 175.5 | -163.1 | -173.9 | -157.6 | -137.1 | 6.7 | 110.4 | | |
| 20 | Q | 33.5 | Very low | 38.8 | Very low | 194 Ų | 194 | 148.2 Ų | 148.2 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | | | trans | -99.8 | 147.1 | 167.5 | -149.8 | 120.5 | -10 | 0 | 0 | 109.7 | | |
| 21 | G | 34.7 | Very low | 38.6 | Very low | 65 Ų | 65 | 146.3 Ų | 146.3 | 67% | 0.67 | 81% | 0.812 | S | S | * | * | | | trans | 158.8 | 140.3 | 154.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 22 | I | 34.3 | Very low | 38.4 | Very low | 181 Ų | 181 | 147 Ų | 147 | 93% | 0.928 | 82% | 0.816 | S | S | * | * | | | trans | 99.5 | 128 | 163.8 | -51.9 | 167.7 | 0 | 0 | 0 | 114.3 | | |
| 23 | A | 38.2 | Very low | 38 | Very low | 100 Ų | 100 | 141 Ų | 141 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | | | cis | -173.9 | 158.4 | -16.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 24 | G | 31.2 | Very low | 38.4 | Very low | 79 Ų | 79 | 141.3 Ų | 141.3 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | | | trans | 166.6 | 71.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 25 | S | 34.3 | Very low | 38.3 | Very low | 125 Ų | 125 | 139 Ų | 139 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | | | trans | 37.6 | 124.4 | 140.2 | -126.1 | 0 | 0 | 0 | 0 | 124.2 | | |
| 26 | A | 35.9 | Very low | 38.2 | Very low | 81 Ų | 81 | 131.4 Ų | 131.4 | 67% | 0.669 | 80% | 0.802 | S | S | * | * | | | | 118.4 | 123.2 | 113.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 27 | R | 36.1 | Very low | 37.3 | Very low | 249 Ų | 249 | 131.1 Ų | 131.1 | 94% | 0.94 | 81% | 0.808 | S | S | * | * | | | trans | 78.7 | 145.8 | 148 | -65.5 | 169.3 | 174.9 | 164.3 | -0.7 | 119.4 | | |
| 28 | A | 36.6 | Very low | 36.5 | Very low | 95 Ų | 95 | 133 Ų | 133 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | cis | 178.8 | 143.3 | -18.9 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 29 | G | 34.9 | Very low | 36.9 | Very low | 72 Ų | 72 | 129.2 Ų | 129.2 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | | | trans | 72.2 | 147.2 | 154.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 30 | T | 35.3 | Very low | 37.6 | Very low | 133 Ų | 133 | 125.4 Ų | 125.4 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | | | cis | -176.7 | 125.3 | 19.2 | 5.2 | 0 | 0 | 0 | 0 | 106.2 | | |
| 31 | E | 34.9 | Very low | 38.1 | Very low | 160 Ų | 160 | 122.6 Ų | 122.6 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | | 80.1 | 116.3 | 88.3 | -69.4 | -77.1 | 152.7 | 0 | 0 | 117.8 | | |
| 32 | L | 38.6 | Very low | 38.7 | Very low | 150 Ų | 150 | 127.3 Ų | 127.3 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | trans | 88 | 105.2 | 140.6 | -53.8 | 168.6 | 0 | 0 | 0 | 125.6 | | |
| 33 | S | 32.3 | Very low | 38.9 | Very low | 112 Ų | 112 | 123.2 Ų | 123.2 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | | | | 23 | 171.8 | 122.2 | -137.2 | 0 | 0 | 0 | 0 | 124.4 | | |
| 34 | P | 62.4 | Low | 39.2 | Very low | 113 Ų | 113 | 123.9 Ų | 123.9 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | | | | -132.9 | -169.3 | -73.5 | 43.3 | -25.7 | 0 | 0 | 0 | 114.9 | | |
| 35 | S | 35 | Very low | 39.5 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | | | trans | 88.7 | 137.5 | 167 | -147.4 | 0 | 0 | 0 | 0 | 116.2 | | |
| 36 | G | 36.8 | Very low | 39.9 | Very low | 65 Ų | 65 | 131.9 Ų | 131.9 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | | | cis | 137.2 | 117.3 | 9.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 37 | A | 38.5 | Very low | 39.7 | Very low | 96 Ų | 96 | 132 Ų | 132 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | | | trans | 79.3 | 145.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 38 | L | 38.5 | Very low | 40 | Very low | 158 Ų | 158 | 125.8 Ų | 125.8 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | | | cis | -159.4 | 154.9 | 29.8 | -72 | 164.4 | 0 | 0 | 0 | 113.1 | | |
| 39 | S | 40 | Very low | 40.7 | Very low | 111 Ų | 111 | 126.9 Ų | 126.9 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | | | trans | 64.2 | 114.7 | 140.1 | 55.1 | 0 | 0 | 0 | 0 | 123.5 | | |
| 40 | N | 46.6 | Very low | 40.6 | Very low | 167 Ų | 167 | 131.5 Ų | 131.5 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | | | trans | -95.4 | 108.2 | 155.6 | -87 | -33.7 | 0 | 0 | 0 | 110.1 | | |
| 41 | V | 45.9 | Very low | 41.3 | Very low | 134 Ų | 134 | 129.5 Ų | 129.5 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | | | trans | -157.6 | 105.9 | 152 | -175.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 42 | L | 45.8 | Very low | 41.7 | Very low | 164 Ų | 164 | 125.9 Ų | 125.9 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | | | trans | 175.6 | 106.1 | 143.1 | -95.4 | 157.1 | 0 | 0 | 0 | 110.9 | | |
| 43 | S | 39.3 | Very low | 41.7 | Very low | 95 Ų | 95 | 123.2 Ų | 123.2 | 66% | 0.664 | 79% | 0.787 | S | S | * | * | | | trans | 38.1 | 121.9 | 142.9 | -74.5 | 0 | 0 | 0 | 0 | 120.3 | | |
| 44 | S | 45.3 | Very low | 42.1 | Very low | 114 Ų | 114 | 122.2 Ų | 122.2 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | | | | 49.1 | 90.1 | 79.8 | -73 | 0 | 0 | 0 | 0 | 112.2 | | |
| 45 | M | 37.1 | Very low | 41.5 | Very low | 149 Ų | 149 | 126.2 Ų | 126.2 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | | | trans | -139.4 | -8.6 | 160.5 | -83.2 | -53.4 | -60.1 | 0 | 0 | 116.4 | | |
| 46 | Y | 42.1 | Very low | 42.1 | Very low | 224 Ų | 224 | 122.8 Ų | 122.8 | 88% | 0.878 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -144 | 94.5 | 178.4 | -77.2 | -81.2 | 0 | 0 | 0 | 114.6 | | |
| 47 | G | 32.2 | Very low | 42.2 | Very low | 82 Ų | 82 | 131.3 Ų | 131.3 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | | | | 73.1 | 105.2 | 126.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 48 | S | 41.7 | Very low | 42.8 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | | | trans | -86.5 | 158.6 | 144.3 | -142.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 49 | P | 50.9 | Low | 43.4 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | | | | -142.2 | 164.2 | 55.4 | 31.2 | -7.2 | 0 | 0 | 0 | 113 | | |
| 50 | F | 34.5 | Very low | 43.9 | Very low | 170 Ų | 170 | 131.8 Ų | 131.8 | 75% | 0.746 | 80% | 0.797 | S | S | * | * | | | | -178.9 | 115.9 | 78.8 | 179.6 | -102.4 | 0 | 0 | 0 | 108.4 | A52 | F50-A52 WeakPolarHBondContact CE1-O 3.37Å; F50-A52 WeakPolarHBondContact CZ-O 3.3Å |
| 51 | A | 48.1 | Very low | 44 | Very low | 90 Ų | 90 | 130.9 Ų | 130.9 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | | | trans | -83 | 153.7 | 156.6 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 52 | A | 44.6 | Very low | 44.3 | Very low | 84 Ų | 84 | 130 Ų | 130 | 69% | 0.694 | 79% | 0.788 | S | S | * | * | | | trans | 96.1 | 86.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | F50 | F50-A52 WeakPolarHBondContact CE1-O 3.37Å; F50-A52 WeakPolarHBondContact CZ-O 3.3Å |
| 53 | A | 38 | Very low | 44.5 | Very low | 94 Ų | 94 | 133.3 Ų | 133.3 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | | | trans | -155.7 | 126.3 | 140.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 54 | A | 40.8 | Very low | 44.9 | Very low | 92 Ų | 92 | 133.3 Ų | 133.3 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | | | trans | 68.9 | 107.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 55 | Q | 50.1 | Low | 45.2 | Very low | 197 Ų | 197 | 135.3 Ų | 135.3 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | | | cis | 41.1 | 81 | 29.3 | -61.7 | -64.5 | -26.3 | 0 | 0 | 112.4 | | |
| 56 | G | 47.5 | Very low | 45.8 | Very low | 56 Ų | 56 | 135.5 Ų | 135.5 | 58% | 0.577 | 80% | 0.797 | S | S | * | * | | | trans | 151.8 | 128.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 57 | Y | 39.4 | Very low | 46.2 | Very low | 243 Ų | 243 | 132 Ų | 132 | 95% | 0.953 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 86.2 | 54.5 | 177.6 | -51.8 | -79.1 | 0 | 0 | 0 | 117.3 | | |
| 58 | G | 51 | Low | 47.3 | Very low | 82 Ų | 82 | 133.8 Ų | 133.8 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | | | trans | -127 | 14.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 59 | A | 50 | Low | 47.6 | Very low | 91 Ų | 91 | 135.7 Ų | 135.7 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | | | trans | -106 | 38.6 | -160.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 60 | F | 50.2 | Low | 47.5 | Very low | 203 Ų | 203 | 139.4 Ų | 139.4 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -150.6 | 57.8 | 169.8 | -119.6 | -81.7 | 0 | 0 | 0 | 114.8 | | |
| 61 | L | 50.7 | Low | 48 | Very low | 148 Ų | 148 | 138.8 Ų | 138.8 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | | | trans | -145.3 | 118.3 | 150.8 | -72.2 | -179.7 | 0 | 0 | 0 | 109 | Y63 | L61-Y63 PolarHBondContact O-N 3.36Å; L61-Y63 VanDerWaalsContact O-N 3.16Å |
| 62 | P | 51.4 | Low | 47.9 | Very low | 114 Ų | 114 | 143 Ų | 143 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -81.8 | 90.9 | 170.8 | 31.4 | -27.3 | 0 | 0 | 0 | 107.9 | | |
| 63 | Y | 48.8 | Very low | 48.2 | Very low | 234 Ų | 234 | 147.5 Ų | 147.5 | 92% | 0.918 | 82% | 0.815 | S | S | * | * | | | trans | 158.9 | 58 | 155.1 | -83.1 | -65.1 | 0 | 0 | 0 | 109.6 | L61 | L61-Y63 PolarHBondContact O-N 3.36Å; L61-Y63 VanDerWaalsContact O-N 3.16Å |
| 64 | S | 48.2 | Very low | 48.4 | Very low | 95 Ų | 95 | 146.3 Ų | 146.3 | 66% | 0.664 | 81% | 0.812 | S | S | * | * | | | trans | -131 | 82.2 | 165.8 | -78.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 65 | N | 51 | Low | 48.7 | Very low | 157 Ų | 157 | 145.2 Ų | 145.2 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | | | trans | -141.6 | 74.9 | 165.1 | -97.3 | -16.2 | 0 | 0 | 0 | 107.3 | | |
| 66 | D | 50.3 | Low | 48.1 | Very low | 153 Ų | 153 | 144.9 Ų | 144.9 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -171.2 | 51.6 | 158.7 | -96 | -45.5 | 0 | 0 | 0 | 110.2 | | |
| 67 | I | 51.7 | Low | 47.4 | Very low | 149 Ų | 149 | 152 Ų | 152 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | | | trans | -131.9 | 81.5 | 163.5 | -78 | 104.1 | 0 | 0 | 0 | 107.5 | | |
| 68 | S | 53.9 | Low | 47 | Very low | 120 Ų | 120 | 146.9 Ų | 146.9 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -141.1 | 2.2 | 164.4 | -62.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 69 | I | 49.3 | Very low | 46.2 | Very low | 160 Ų | 160 | 149.4 Ų | 149.4 | 82% | 0.821 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -90.5 | -13.8 | 176.9 | -84 | 164.7 | 0 | 0 | 0 | 112.9 | N71 | I69-N71 PolarHBondContact O-N 3.48Š|
| 70 | F | 47.5 | Very low | 45.6 | Very low | 196 Ų | 196 | 153 Ų | 153 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 18.4 | -170.5 | -141.3 | -93.8 | 0 | 0 | 0 | 115.5 | | |
| 71 | N | 45.4 | Very low | 44.8 | Very low | 156 Ų | 156 | 150.3 Ų | 150.3 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.8 | 19.5 | -177.6 | -149.5 | -6.3 | 0 | 0 | 0 | 114.3 | I69 | I69-N71 PolarHBondContact O-N 3.48Š|
| 72 | Q | 46.1 | Very low | 43.9 | Very low | 178 Ų | 178 | 146.8 Ų | 146.8 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -121 | 24.5 | -176.9 | -149.9 | 169.9 | 14.1 | 0 | 0 | 114.9 | | |
| 73 | L | 49.9 | Very low | 43.3 | Very low | 180 Ų | 180 | 150.5 Ų | 150.5 | 94% | 0.942 | 80% | 0.795 | S | S | * | * | | | trans | -125.2 | 16.9 | 172.3 | -67.4 | 174.1 | 0 | 0 | 0 | 113.6 | A75 | L73-A75 PolarHBondContact O-N 3.47Š|
| 74 | G | 42.6 | Very low | 42.8 | Very low | 68 Ų | 68 | 142.5 Ų | 142.5 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | | | trans | -83.4 | 86.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 75 | A | 48.1 | Very low | 42.7 | Very low | 69 Ų | 69 | 143.9 Ų | 143.9 | 57% | 0.57 | 79% | 0.787 | S | S | * | * | | | trans | 164.5 | 75.8 | 144.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L73 | L73-A75 PolarHBondContact O-N 3.47Š|
| 76 | Q | 36.1 | Very low | 42.2 | Very low | 191 Ų | 191 | 143 Ų | 143 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | | | trans | -153.5 | 74.2 | 150.5 | -82.2 | -55.8 | -92.8 | 0 | 0 | 108 | | |
| 77 | Y | 33.3 | Very low | 41.5 | Very low | 204 Ų | 204 | 142.8 Ų | 142.8 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | | | trans | -80.1 | 128.1 | 159.7 | -43.6 | -85.8 | 0 | 0 | 0 | 106.4 | | |
| 78 | D | 31.3 | Very low | 41.2 | Very low | 137 Ų | 137 | 141.5 Ų | 141.5 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | | | | 163.9 | 131.7 | 116 | -152 | -129.8 | 0 | 0 | 0 | 112.4 | | |
| 79 | L | 35.3 | Very low | 40.7 | Very low | 134 Ų | 134 | 139.1 Ų | 139.1 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | | | trans | 74.8 | 119.7 | 143.4 | -117.4 | 60.7 | 0 | 0 | 0 | 124.3 | | |
| 80 | K | 36.3 | Very low | 40.3 | Very low | 168 Ų | 168 | 141.6 Ų | 141.6 | 73% | 0.73 | 77% | 0.773 | S | S | * | * | | | | 105.3 | 122.2 | 116.6 | -147.9 | 119.4 | 179 | -177.7 | 0 | 118.7 | | |
| 81 | D | 34.2 | Very low | 40.1 | Very low | 146 Ų | 146 | 136.3 Ų | 136.3 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | | | trans | 4.1 | 138.3 | 148 | -61.9 | -79.3 | 0 | 0 | 0 | 119.9 | | |
| 82 | G | 31.9 | Very low | 40.5 | Very low | 73 Ų | 73 | 134.6 Ų | 134.6 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | | | trans | 168.3 | 99 | 157 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 83 | H | 37.3 | Very low | 40.6 | Very low | 193 Ų | 193 | 131.6 Ų | 131.6 | 89% | 0.894 | 76% | 0.759 | S | S | * | * | | | trans | -54.9 | 132.4 | 171 | -68.2 | -94.2 | 0 | 0 | 0 | 113.1 | | |
| 84 | G | 40 | Very low | 40.5 | Very low | 65 Ų | 65 | 131.7 Ų | 131.7 | 67% | 0.67 | 75% | 0.754 | S | S | * | * | | | trans | 70.3 | 150.1 | 132.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 85 | V | 44.4 | Very low | 40.7 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 76% | 0.758 | 76% | 0.756 | S | S | * | * | | | trans | 92.1 | 94.3 | 146.8 | -176.1 | 0 | 0 | 0 | 0 | 116.3 | | |
| 86 | Q | 41.1 | Very low | 40.3 | Very low | 137 Ų | 137 | 134 Ų | 134 | 64% | 0.64 | 76% | 0.757 | S | S | * | * | | | trans | 114.2 | 114.1 | 133.7 | -67.9 | -18.7 | 2.9 | 0 | 0 | 122.4 | | |
| 87 | H | 36.2 | Very low | 40.8 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 69% | 0.694 | 75% | 0.753 | S | S | * | * | | | | 70.5 | 171.6 | 124.7 | -55.8 | -47.3 | 0 | 0 | 0 | 119.8 | | |
| 88 | P | 44.7 | Very low | 41.3 | Very low | 121 Ų | 121 | 133 Ų | 133 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | | | | -128.6 | 161.6 | -76.3 | 36.6 | -19.6 | 0 | 0 | 0 | 111.9 | | |
| 89 | G | 43.2 | Very low | 42.2 | Very low | 71 Ų | 71 | 131.3 Ų | 131.3 | 73% | 0.732 | 75% | 0.747 | S | S | * | * | | | trans | 87.9 | 89.2 | 156.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 90 | F | 41.3 | Very low | 42.5 | Very low | 211 Ų | 211 | 135.4 Ų | 135.4 | 93% | 0.925 | 75% | 0.754 | S | S | * | * | | | trans | -147.5 | 127.1 | 137.7 | -120.8 | -89.6 | 0 | 0 | 0 | 108 | | |
| 91 | A | 43.9 | Very low | 42.9 | Very low | 86 Ų | 86 | 130 Ų | 130 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -64 | 137.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 92 | P | 52.7 | Low | 43.1 | Very low | 120 Ų | 120 | 130.8 Ų | 130.8 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 135.7 | 170.1 | 27.6 | -30 | 0 | 0 | 0 | 110.6 | H94 | P92-H94 PolarHBondContact O-N 3.21Š|
| 93 | P | 49.3 | Very low | 43.6 | Very low | 114 Ų | 114 | 137.8 Ų | 137.8 | 74% | 0.74 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 117 | 170.2 | 30.7 | -29.4 | 0 | 0 | 0 | 110.1 | | |
| 94 | H | 47.1 | Very low | 43.9 | Very low | 182 Ų | 182 | 136.1 Ų | 136.1 | 84% | 0.843 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 58.5 | 157.2 | 148.2 | -70.8 | -72.5 | 0 | 0 | 0 | 119.7 | P92 | P92-H94 PolarHBondContact O-N 3.21Š|
| 95 | P | 46.7 | Very low | 44.4 | Very low | 114 Ų | 114 | 143.2 Ų | 143.2 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | | | trans | -81 | 133.4 | -147.2 | 32.3 | -32.4 | 0 | 0 | 0 | 111.7 | F97 | P95-F97 VanDerWaalsContact C-N 3.33Å; P95-F97 PolarHBondContact O-N 3.06Å |
| 96 | A | 40.9 | Very low | 44.8 | Very low | 71 Ų | 71 | 140.3 Ų | 140.3 | 59% | 0.587 | 75% | 0.751 | S | S | * | * | | | trans | -61.4 | 100.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | Y98 | A96-Y98 HydrophobicContact CB-CD2 3.74Å; A96-Y98 HydrophobicContact CB-CE2 3.43Å; A96-Y98 VanDerWaalsContact CB-CE2 3.43Å; A96-Y98 WeakPolarHBondContact O-CD2 3.16Å; A96-Y98 PolarHBondContact O-N 3.35Å |
| 97 | F | 46.2 | Very low | 45 | Very low | 186 Ų | 186 | 139 Ų | 139 | 82% | 0.816 | 75% | 0.749 | S | S | * | * | | | trans | -53.7 | 93.2 | 153.5 | 179 | -96.3 | 0 | 0 | 0 | 107.1 | P95 P99 | P95-F97 VanDerWaalsContact C-N 3.33Å; P95-F97 PolarHBondContact O-N 3.06Å; F97-P99 HydrophobicContact CE1-CB 4.2Å; F97-P99 HydrophobicContact CE1-CG 4.31Å; F97-P99 WeakPolarHBondContact O-CD 3.28Å |
| 98 | Y | 43.8 | Very low | 46.3 | Very low | 188 Ų | 188 | 137.2 Ų | 137.2 | 74% | 0.737 | 75% | 0.75 | S | S | * | * | | | trans | -87.2 | 110.1 | 167.5 | -77.6 | -82.4 | 0 | 0 | 0 | 108.1 | A96 Y100 | A96-Y98 HydrophobicContact CB-CD2 3.74Å; A96-Y98 HydrophobicContact CB-CE2 3.43Å; A96-Y98 VanDerWaalsContact CB-CE2 3.43Å; A96-Y98 WeakPolarHBondContact O-CD2 3.16Å; A96-Y98 PolarHBondContact O-N 3.35Å; Y98-Y100 PolarHBondContact O-N 3.14Å; Y98-Y100 VanDerWaalsContact O-N 3.07Å |
| 99 | P | 49.2 | Very low | 46.9 | Very low | 102 Ų | 102 | 136.2 Ų | 136.2 | 66% | 0.662 | 75% | 0.746 | S | S | * | * | | | trans | -81.7 | 46.5 | 165.3 | 35.1 | -34.5 | 0 | 0 | 0 | 110.5 | F97 | F97-P99 HydrophobicContact CE1-CB 4.2Å; F97-P99 HydrophobicContact CE1-CG 4.31Å; F97-P99 WeakPolarHBondContact O-CD 3.28Å |
| 100 | Y | 41.7 | Very low | 47.6 | Very low | 220 Ų | 220 | 141.2 Ų | 141.2 | 86% | 0.863 | 74% | 0.743 | S | S | * | * | | | trans | -108.9 | 98.2 | 166.8 | -104.9 | -87 | 0 | 0 | 0 | 108.3 | Y98 | Y98-Y100 PolarHBondContact O-N 3.14Å; Y98-Y100 VanDerWaalsContact O-N 3.07Å |
| 101 | G | 44.6 | Very low | 48.3 | Very low | 55 Ų | 55 | 136.5 Ų | 136.5 | 57% | 0.567 | 73% | 0.734 | S | S | * | * | | | trans | -53.9 | 136.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y103 | G101-Y103 PolarHBondContact O-N 2.97Š|
| 102 | Q | 39.3 | Very low | 49.4 | Very low | 162 Ų | 162 | 140.4 Ų | 140.4 | 76% | 0.757 | 74% | 0.735 | S | S | * | * | | | | 13.5 | 93.4 | 112.8 | -112.7 | -90.8 | -97.2 | 0 | 0 | 113.1 | Q104 | Q102-Q104 VanDerWaalsContact C-N 3.27Å; Q102-Q104 PolarHBondContact O-N 3.32Å |
| 103 | Y | 43 | Very low | 50 | Low | 221 Ų | 221 | 141 Ų | 141 | 87% | 0.867 | 73% | 0.731 | S | S | * | * | | | trans | -65.2 | 94 | 165.2 | -93.5 | -99.3 | 0 | 0 | 0 | 108.2 | G101 F105 | G101-Y103 PolarHBondContact O-N 2.97Å; Y103-F105 PolarHBondContact O-N 3.1Å |
| 104 | Q | 44 | Very low | 51.3 | Low | 157 Ų | 157 | 137.9 Ų | 137.9 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | | | trans | -64.1 | 109.3 | 168 | -159.1 | 89.1 | 23.1 | 0 | 0 | 107.4 | Q102 G106 | Q102-Q104 VanDerWaalsContact C-N 3.27Å; Q102-Q104 PolarHBondContact O-N 3.32Å; Q104-G106 PolarHBondContact O-N 3.43Å |
| 105 | F | 49.8 | Very low | 53.1 | Low | 214 Ų | 214 | 133.1 Ų | 133.1 | 94% | 0.939 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -47.9 | 120.9 | 163.3 | -99.4 | -107.2 | 0 | 0 | 0 | 109.4 | Y103 | Y103-F105 PolarHBondContact O-N 3.1Š|
| 106 | G | 52.7 | Low | 55 | Low | 64 Ų | 64 | 138.1 Ų | 138.1 | 66% | 0.66 | 70% | 0.703 | S | S | * | * | | | trans | 119.4 | 39 | 156.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | Q104 P108 | Q104-G106 PolarHBondContact O-N 3.43Å; G106-P108 WeakPolarHBondContact O-CD 3.29Å |
| 107 | D | 46 | Very low | 57.3 | Low | 109 Ų | 109 | 142.1 Ų | 142.1 | 58% | 0.583 | 71% | 0.71 | S | S | * | * | | | trans | -72.9 | 114.1 | 158.5 | -172.2 | -10.7 | 0 | 0 | 0 | 109.7 | S109 | D107-S109 PolarHBondContact O-N 3.28Å; D107-S109 WeakPolarHBondContact OD1-CB 3.43Å; D107-S109 PolarHBondContact OD1-N 3.25Å |
| 108 | P | 63.2 | Low | 59.6 | Low | 113 Ų | 113 | 133.6 Ų | 133.6 | 73% | 0.734 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -8.1 | 176.8 | 30 | -34.2 | 0 | 0 | 0 | 113.7 | G106 | G106-P108 WeakPolarHBondContact O-CD 3.29Š|
| 109 | S | 55.9 | Low | 62 | Low | 100 Ų | 100 | 125.8 Ų | 125.8 | 70% | 0.699 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -18.9 | -177.6 | -167.2 | 0 | 0 | 0 | 0 | 113.7 | D107 | D107-S109 PolarHBondContact O-N 3.28Å; D107-S109 WeakPolarHBondContact OD1-CB 3.43Å; D107-S109 PolarHBondContact OD1-N 3.25Å |
| 110 | R | 59.3 | Low | 64.2 | Low | 177 Ų | 177 | 124.3 Ų | 124.3 | 67% | 0.668 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -83.6 | 129.1 | 177 | -154.6 | 175.4 | -163.5 | -85.5 | 2.1 | 109.8 | K112 | R110-K112 PolarHBondContact O-N 3.13Š|
| 111 | P | 55.2 | Low | 66.9 | Low | 111 Ų | 111 | 116 Ų | 116 | 72% | 0.721 | 61% | 0.609 | S | S | * | * | | | trans | -54.3 | 109.5 | 175.8 | -23.2 | 31.3 | 0 | 0 | 0 | 109.6 | N113 | P111-N113 PolarHBondContact O-N 2.93Å; P111-N113 VanDerWaalsContact O-N 3.15Å |
| 112 | K | 67.1 | Low | 69.4 | Low | 169 Ų | 169 | 113.3 Ų | 113.3 | 74% | 0.735 | 58% | 0.582 | S | S | * | * | | | trans | -67.8 | 115.4 | 178.2 | -65 | -175.2 | -174 | 176.8 | 0 | 106.9 | R110 A114 | R110-K112 PolarHBondContact O-N 3.13Å; K112-A114 PolarHBondContact O-N 2.83Å |
| 113 | N | 65.1 | Low | 72.1 | Confident | 131 Ų | 131 | 111.8 Ų | 111.8 | 70% | 0.701 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 139.5 | 172.3 | -54.3 | 78.6 | 0 | 0 | 0 | 108.6 | P111 T115 | P111-N113 PolarHBondContact O-N 2.93Å; P111-N113 VanDerWaalsContact O-N 3.15Å; N113-T115 PolarHBondContact O-N 3.35Å |
| 114 | A | 76.5 | Confident | 74.6 | Confident | 49 Ų | 49 | 103.7 Ų | 103.7 | 41% | 0.405 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -49.9 | 133.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | K112 M149 | K112-A114 PolarHBondContact O-N 2.83Å; A114-M149 HydrophobicContact CB-CE 4.33Å; A114-M149 HydrophobicContact CB-SD 4.16Å |
| 115 | T | 84.6 | Confident | 77.2 | Confident | 82 Ų | 82 | 97 Ų | 97 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 154.8 | -178.3 | 67.8 | 0 | 0 | 0 | 0 | 110.3 | N113 E117 S118 T119 | N113-T115 PolarHBondContact O-N 3.35Å; T115-E117 PolarHBondContact O-N 3.37Å; T115-S118 PolarHBondContact N-OG 2.89Å; T115-S118 VanDerWaalsContact N-OG 3.09Å; T115-S118 PolarHBondContact O-N 3.44Å; T115-S118 PolarHBondContact O-OG 3.42Å; T115-S118 VanDerWaalsContact OG1-CB 3.28Å; T115-S118 WeakPolarHBondContact OG1-CB 3.22Å; T115-S118 PolarHBondContact OG1-N 2.9Å; T115-S118 VanDerWaalsContact OG1-N 3.1Å; T115-S118 PolarHBondContact OG1-OG 3.46Å; T115-T119 PolarHBondContact O-N 2.97Å; T115-T119 PolarHBondContact O-OG1 3.02Å |
| 116 | R | 87.6 | Confident | 79.4 | Confident | 220 Ų | 220 | 87.5 Ų | 87.5 | 83% | 0.83 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -58.6 | -38.6 | 177.2 | -178.4 | 175.9 | 176 | -85.7 | 1.1 | 111.4 | S120 | R116-S120 PolarHBondContact O-N 3.16Å |
| 117 | E | 89 | Confident | 81.3 | Confident | 155 Ų | 155 | 87.7 Ų | 87.7 | 72% | 0.724 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66.3 | -46.8 | 177.1 | -62.3 | -171.8 | 155.3 | 0 | 0 | 111.6 | T115 T119 S120 T121 | T115-E117 PolarHBondContact O-N 3.37Å; E117-T119 VanDerWaalsContact C-N 3.28Å; E117-T119 PolarHBondContact O-N 3.36Å; E117-S120 VanDerWaalsContact O-CB 3.27Å; E117-S120 WeakPolarHBondContact O-CB 3.43Å; E117-S120 PolarHBondContact O-N 2.91Å; E117-T121 PolarHBondContact O-N 3.42Å |
| 118 | S | 93.2 | Very high | 83.7 | Confident | 6 Ų | 6 | 89.8 Ų | 89.8 | 4% | 0.042 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 177.9 | 74.9 | 0 | 0 | 0 | 0 | 111.4 | T115 S120 T121 L122 T147 | T115-S118 PolarHBondContact N-OG 2.89Å; T115-S118 VanDerWaalsContact N-OG 3.09Å; T115-S118 PolarHBondContact O-N 3.44Å; T115-S118 PolarHBondContact O-OG 3.42Å; T115-S118 VanDerWaalsContact OG1-CB 3.28Å; T115-S118 WeakPolarHBondContact OG1-CB 3.22Å; T115-S118 PolarHBondContact OG1-N 2.9Å; T115-S118 VanDerWaalsContact OG1-N 3.1Å; T115-S118 PolarHBondContact OG1-OG 3.46Å; S118-S120 VanDerWaalsContact C-N 3.27Å; S118-S120 PolarHBondContact O-N 2.57Å; S118-T121 PolarHBondContact O-N 3.19Å; S118-L122 WeakPolarHBondContact O-CG 3.41Å; S118-L122 PolarHBondContact O-N 3.44Å; S118-T147 WeakPolarHBondContact CB-O 3.19Å; S118-T147 WeakPolarHBondContact O-CG2 3.48Å |
| 119 | T | 94.1 | Very high | 85.2 | Confident | 25 Ų | 25 | 87 Ų | 87 | 15% | 0.153 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -68.1 | -27 | 177.4 | -36.4 | 0 | 0 | 0 | 0 | 112.4 | T115 E117 K123 W157 | T115-T119 PolarHBondContact O-N 2.97Å; T115-T119 PolarHBondContact O-OG1 3.02Å; E117-T119 VanDerWaalsContact C-N 3.28Å; E117-T119 PolarHBondContact O-N 3.36Å; T119-K123 WeakPolarHBondContact O-CB 3.27Å; T119-K123 WeakPolarHBondContact O-CG 3.29Å; T119-K123 PolarHBondContact O-N 3.26Å; T119-W157 HydrophobicContact CG2-CZ2 3.85Å |
| 120 | S | 96.9 | Very high | 86.9 | Confident | 71 Ų | 71 | 88.3 Ų | 88.3 | 50% | 0.497 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67 | -45.6 | 176.8 | -167 | 0 | 0 | 0 | 0 | 111.1 | R116 E117 S118 L122 K123 A124 | R116-S120 PolarHBondContact O-N 3.16Å; E117-S120 VanDerWaalsContact O-CB 3.27Å; E117-S120 WeakPolarHBondContact O-CB 3.43Å; E117-S120 PolarHBondContact O-N 2.91Å; S118-S120 VanDerWaalsContact C-N 3.27Å; S118-S120 PolarHBondContact O-N 2.57Å; S120-L122 PolarHBondContact O-N 3.3Å; S120-K123 PolarHBondContact O-N 3.35Å; S120-A124 WeakPolarHBondContact O-CB 3.47Å; S120-A124 PolarHBondContact O-N 3.29Å |
| 121 | T | 97.1 | Very high | 88.3 | Confident | 44 Ų | 44 | 89 Ų | 89 | 27% | 0.27 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58.4 | -47.3 | 175 | -53.5 | 0 | 0 | 0 | 0 | 111.4 | E117 S118 K123 A124 W125 L143 I146 T147 | E117-T121 PolarHBondContact O-N 3.42Å; S118-T121 PolarHBondContact O-N 3.19Å; T121-K123 VanDerWaalsContact C-N 3.3Å; T121-K123 PolarHBondContact O-N 3.43Å; T121-A124 PolarHBondContact O-N 3.04Å; T121-W125 PolarHBondContact O-N 3.23Å; T121-L143 HydrophobicContact CG2-CD2 3.97Å; T121-I146 HydrophobicContact CG2-CB 4.44Å; T121-I146 HydrophobicContact CG2-CG2 3.75Å; T121-T147 HydrophobicContact CG2-CG2 4.31Å |
| 122 | L | 97.4 | Very high | 90 | Very high | 0 Ų | 0 | 88.2 Ų | 88.2 | 0% | 0 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -61.8 | -37.6 | 178.5 | -62.2 | 174.6 | 0 | 0 | 0 | 112.4 | S118 S120 L126 L143 T147 M149 V154 W157 F158 | S118-L122 WeakPolarHBondContact O-CG 3.41Å; S118-L122 PolarHBondContact O-N 3.44Å; S120-L122 PolarHBondContact O-N 3.3Å; L122-L126 WeakPolarHBondContact O-CB 2.99Å; L122-L126 PolarHBondContact O-N 3.47Å; L122-L126 VanDerWaalsContact O-N 3.07Å; L122-L143 HydrophobicContact CD2-CB 4.25Å; L122-L143 HydrophobicContact CD2-CD1 4.42Å; L122-L143 HydrophobicContact CD2-CD2 4.32Å; L122-T147 HydrophobicContact CD2-CG2 3.94Å; L122-T147 HydrophobicContact CG-CG2 3.9Å; L122-M149 HydrophobicContact CD1-CE 4.33Å; L122-M149 HydrophobicContact CD1-SD 3.94Å; L122-V154 HydrophobicContact CD2-CG1 4.16Å; L122-W157 HydrophobicContact CB-CD2 4.14Å; L122-W157 HydrophobicContact CB-CE3 3.89Å; L122-W157 HydrophobicContact CB-CH2 3.69Å; L122-W157 HydrophobicContact CB-CZ2 3.91Å; L122-W157 HydrophobicContact CB-CZ3 3.67Å; L122-W157 HydrophobicContact CD1-CB 4.37Å; L122-W157 HydrophobicContact CD1-CD2 3.69Å; L122-W157 HydrophobicContact CD1-CE3 4.11Å; L122-W157 HydrophobicContact CD1-CG 3.78Å; L122-W157 HydrophobicContact CG-CD2 4.48Å; L122-W157 HydrophobicContact CG-CE3 4.47Å; L122-F158 HydrophobicContact CD2-CE2 3.77Å; L122-F158 HydrophobicContact CD2-CZ 4.26Å |
| 123 | K | 95.7 | Very high | 91.4 | Very high | 129 Ų | 129 | 80.1 Ų | 80.1 | 56% | 0.561 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -69.9 | -39.5 | 175.8 | -76.3 | 172.4 | 179.2 | 179.2 | 0 | 112.6 | T119 S120 T121 L126 S127 W157 | T119-K123 WeakPolarHBondContact O-CB 3.27Å; T119-K123 WeakPolarHBondContact O-CG 3.29Å; T119-K123 PolarHBondContact O-N 3.26Å; S120-K123 PolarHBondContact O-N 3.35Å; T121-K123 VanDerWaalsContact C-N 3.3Å; T121-K123 PolarHBondContact O-N 3.43Å; K123-L126 PolarHBondContact O-N 3.23Å; K123-S127 WeakPolarHBondContact O-CB 3.27Å; K123-S127 PolarHBondContact O-N 3Å; K123-S127 PolarHBondContact O-OG 3.31Å; K123-W157 HydrophobicContact CG-CH2 4.06Å; K123-W157 HydrophobicContact CG-CZ2 4.14Å |
| 124 | A | 96.9 | Very high | 92.9 | Very high | 52 Ų | 52 | 79.9 Ų | 79.9 | 43% | 0.43 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.4 | -51.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | S120 T121 L126 S127 E128 | S120-A124 WeakPolarHBondContact O-CB 3.47Å; S120-A124 PolarHBondContact O-N 3.29Å; T121-A124 PolarHBondContact O-N 3.04Å; A124-L126 VanDerWaalsContact C-N 3.32Å; A124-L126 PolarHBondContact O-N 3.14Å; A124-S127 PolarHBondContact O-N 3.33Å; A124-S127 PolarHBondContact O-OG 3.17Å; A124-E128 PolarHBondContact O-N 2.87Å |
| 125 | W | 97.6 | Very high | 93.9 | Very high | 16 Ų | 16 | 77.9 Ų | 77.9 | 6% | 0.061 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -58 | -44.4 | 175.9 | -171.9 | 94.5 | 0 | 0 | 0 | 111.8 | T121 S127 E128 H129 P135 E139 L143 F158 | T121-W125 PolarHBondContact O-N 3.23Å; W125-S127 VanDerWaalsContact C-N 3.26Å; W125-S127 PolarHBondContact O-N 3.33Å; W125-E128 WeakPolarHBondContact O-CB 3.22Å; W125-E128 PolarHBondContact O-N 3.34Å; W125-H129 AromaticContact CD1-CE1 3.84Å; W125-H129 AromaticContact CD1-ND1 3.83Å; W125-H129 HydrophobicContact CD2-CB 4.38Å; W125-H129 AromaticContact CD2-ND1 3.51Å; W125-H129 AromaticContact CE2-CE1 3.53Å; W125-H129 AromaticContact CE2-CG 3.63Å; W125-H129 AromaticContact CE2-ND1 3.26Å; W125-H129 VanDerWaalsContact CE2-ND1 3.26Å; W125-H129 HydrophobicContact CE3-CB 4.01Å; W125-H129 AromaticContact CG-ND1 3.88Å; W125-H129 HydrophobicContact CH2-CB 3.52Å; W125-H129 AromaticContact CH2-CD2 3.97Å; W125-H129 AromaticContact CH2-CG 3.54Å; W125-H129 HydrophobicContact CZ2-CB 3.93Å; W125-H129 AromaticContact CZ2-CD2 3.58Å; W125-H129 AromaticContact CZ2-CE1 3.83Å; W125-H129 AromaticContact CZ2-CG 3.38Å; W125-H129 AromaticContact CZ2-ND1 3.54Å; W125-H129 AromaticContact CZ2-NE2 3.88Å; W125-H129 HydrophobicContact CZ3-CB 3.59Å; W125-H129 AromaticContact CZ3-CG 3.94Å; W125-H129 AromaticContact NE1-CE1 3.34Å; W125-H129 PolarHBondContact NE1-CE1 3Å; W125-H129 VanDerWaalsContact NE1-CE1 3.34Å; W125-H129 AromaticContact NE1-ND1 3.48Å; W125-H129 PolarHBondContact NE1-ND1 3.36Å; W125-H129 PolarHBondContact O-N 3.48Å; W125-H129 PolarHBondContact O-ND1 3.29Å; W125-P135 VanDerWaalsContact CH2-CA 3.41Å; W125-P135 HydrophobicContact CH2-CB 3.6Å; W125-P135 HydrophobicContact CH2-CG 4.15Å; W125-P135 VanDerWaalsContact CH2-N 3.34Å; W125-P135 VanDerWaalsContact CZ2-CA 3.49Å; W125-P135 HydrophobicContact CZ2-CB 3.57Å; W125-P135 HydrophobicContact CZ3-CB 4.15Å; W125-P135 HydrophobicContact CZ3-CG 4.33Å; W125-E139 WeakPolarHBondContact CZ2-OE1 3.34Å; W125-E139 PolarHBondContact NE1-OE1 2.87Å; W125-L143 HydrophobicContact CB-CD1 4.44Å; W125-L143 HydrophobicContact CB-CD2 4.14Å; W125-L143 HydrophobicContact CD2-CD1 4.17Å; W125-L143 HydrophobicContact CG-CD1 3.97Å; W125-L143 HydrophobicContact CG-CD2 4.31Å; W125-F158 HydrophobicContact CD2-CE1 4.33Å; W125-F158 HydrophobicContact CD2-CZ 4.06Å; W125-F158 HydrophobicContact CE3-CD1 4.35Å; W125-F158 AromaticContact CE3-CE1 3.28Å; W125-F158 HydrophobicContact CE3-CE1 3.28Å; W125-F158 AromaticContact CE3-CZ 3.42Å; W125-F158 HydrophobicContact CE3-CZ 3.42Å; W125-F158 VanDerWaalsContact CE3-CZ 3.42Å; W125-F158 HydrophobicContact CZ3-CD1 4.19Å; W125-F158 AromaticContact CZ3-CE1 3.52Å; W125-F158 HydrophobicContact CZ3-CE1 3.52Å; W125-F158 HydrophobicContact CZ3-CZ 4Å |
| 126 | L | 96.1 | Very high | 94.5 | Very high | 15 Ų | 15 | 77.8 Ų | 77.8 | 8% | 0.079 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.8 | -32.8 | 177.8 | -176.2 | 66.4 | 0 | 0 | 0 | 112.8 | L122 K123 A124 H129 R130 P133 W157 F158 A161 L165 | L122-L126 WeakPolarHBondContact O-CB 2.99Å; L122-L126 PolarHBondContact O-N 3.47Å; L122-L126 VanDerWaalsContact O-N 3.07Å; K123-L126 PolarHBondContact O-N 3.23Å; A124-L126 VanDerWaalsContact C-N 3.32Å; A124-L126 PolarHBondContact O-N 3.14Å; L126-H129 CarbonylContact O-C 3.53Å; L126-R130 WeakPolarHBondContact O-CD 3.49Å; L126-R130 PolarHBondContact O-N 3.39Å; L126-P133 HydrophobicContact CD1-CB 3.41Å; L126-P133 VanDerWaalsContact CD1-CB 3.41Å; L126-W157 HydrophobicContact CD2-CH2 4.22Å; L126-W157 HydrophobicContact CD2-CZ3 4.26Å; L126-F158 HydrophobicContact CB-CE1 4.24Å; L126-F158 HydrophobicContact CD1-CD1 4.35Å; L126-F158 HydrophobicContact CD1-CE1 4.19Å; L126-A161 HydrophobicContact CD2-CB 3.96Å; L126-L165 HydrophobicContact CD2-CD1 3.85Å; L126-L165 HydrophobicContact CD2-CD2 4.38Å |
| 127 | S | 93.6 | Very high | 95 | Very high | 68 Ų | 68 | 73 Ų | 73 | 48% | 0.476 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -74.8 | -29.3 | 177.3 | 72.6 | 0 | 0 | 0 | 0 | 113.4 | K123 A124 W125 R130 | K123-S127 WeakPolarHBondContact O-CB 3.27Å; K123-S127 PolarHBondContact O-N 3Å; K123-S127 PolarHBondContact O-OG 3.31Å; A124-S127 PolarHBondContact O-N 3.33Å; A124-S127 PolarHBondContact O-OG 3.17Å; W125-S127 VanDerWaalsContact C-N 3.26Å; W125-S127 PolarHBondContact O-N 3.33Å; S127-R130 WeakPolarHBondContact O-CG 3.41Å |
| 128 | E | 96.3 | Very high | 95.4 | Very high | 153 Ų | 153 | 67.9 Ų | 67.9 | 72% | 0.715 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -73.9 | -42.4 | 172 | -173.7 | 165.4 | -149.9 | 0 | 0 | 110.5 | A124 W125 R130 | A124-E128 PolarHBondContact O-N 2.87Å; W125-E128 WeakPolarHBondContact O-CB 3.22Å; W125-E128 PolarHBondContact O-N 3.34Å; E128-R130 VanDerWaalsContact C-N 3.35Å; E128-R130 PolarHBondContact O-N 3.02Å |
| 129 | H | 94.4 | Very high | 95.6 | Very high | 55 Ų | 55 | 69.4 Ų | 69.4 | 26% | 0.255 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 42.5 | -177.1 | -62.2 | 79.2 | 0 | 0 | 0 | 113.1 | W125 L126 K131 N132 P133 E139 | W125-H129 AromaticContact CD1-CE1 3.84Å; W125-H129 AromaticContact CD1-ND1 3.83Å; W125-H129 HydrophobicContact CD2-CB 4.38Å; W125-H129 AromaticContact CD2-ND1 3.51Å; W125-H129 AromaticContact CE2-CE1 3.53Å; W125-H129 AromaticContact CE2-CG 3.63Å; W125-H129 AromaticContact CE2-ND1 3.26Å; W125-H129 VanDerWaalsContact CE2-ND1 3.26Å; W125-H129 HydrophobicContact CE3-CB 4.01Å; W125-H129 AromaticContact CG-ND1 3.88Å; W125-H129 HydrophobicContact CH2-CB 3.52Å; W125-H129 AromaticContact CH2-CD2 3.97Å; W125-H129 AromaticContact CH2-CG 3.54Å; W125-H129 HydrophobicContact CZ2-CB 3.93Å; W125-H129 AromaticContact CZ2-CD2 3.58Å; W125-H129 AromaticContact CZ2-CE1 3.83Å; W125-H129 AromaticContact CZ2-CG 3.38Å; W125-H129 AromaticContact CZ2-ND1 3.54Å; W125-H129 AromaticContact CZ2-NE2 3.88Å; W125-H129 HydrophobicContact CZ3-CB 3.59Å; W125-H129 AromaticContact CZ3-CG 3.94Å; W125-H129 AromaticContact NE1-CE1 3.34Å; W125-H129 PolarHBondContact NE1-CE1 3Å; W125-H129 VanDerWaalsContact NE1-CE1 3.34Å; W125-H129 AromaticContact NE1-ND1 3.48Å; W125-H129 PolarHBondContact NE1-ND1 3.36Å; W125-H129 PolarHBondContact O-N 3.48Å; W125-H129 PolarHBondContact O-ND1 3.29Å; L126-H129 CarbonylContact O-C 3.53Å; H129-K131 VanDerWaalsContact C-N 3.26Å; H129-K131 PolarHBondContact O-N 3.26Å; H129-N132 CarbonylContact O-C 3.27Å; H129-N132 VanDerWaalsContact O-C 3.27Å; H129-N132 PolarHBondContact O-N 3.05Å; H129-P133 VanDerWaalsContact O-CA 3.31Å; H129-P133 WeakPolarHBondContact O-CA 3.44Å; H129-P133 WeakPolarHBondContact O-CB 3.28Å; H129-P133 VanDerWaalsContact O-N 3.08Å; H129-E139 IonicContact CE1-OE1 3.74Å; H129-E139 IonicContact NE2-OE1 3.49Å; H129-E139 PolarHBondContact NE2-OE1 2.87Å |
| 130 | R | 91.8 | Very high | 95.8 | Very high | 127 Ų | 127 | 71.4 Ų | 71.4 | 48% | 0.479 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -65.3 | -26.1 | -178.5 | -73.9 | -70.6 | -164.5 | 106.1 | 12.7 | 114.1 | L126 S127 E128 M171 | L126-R130 WeakPolarHBondContact O-CD 3.49Å; L126-R130 PolarHBondContact O-N 3.39Å; S127-R130 WeakPolarHBondContact O-CG 3.41Å; E128-R130 VanDerWaalsContact C-N 3.35Å; E128-R130 PolarHBondContact O-N 3.02Å; R130-M171 WeakPolarHBondContact O-CE 3.48Å |
| 131 | K | 88.9 | Confident | 95.9 | Very high | 190 Ų | 190 | 72 Ų | 72 | 83% | 0.826 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -82.1 | -31.7 | 179 | -63.8 | -179.3 | -177.4 | 176.5 | 0 | 112.3 | H129 W173 | H129-K131 VanDerWaalsContact C-N 3.26Å; H129-K131 PolarHBondContact O-N 3.26Å; K131-W173 WeakPolarHBondContact O-CH2 2.84Å; K131-W173 WeakPolarHBondContact O-CZ3 3.13Å |
| 132 | N | 91.1 | Very high | 95.9 | Very high | 95 Ų | 95 | 74.5 Ų | 74.5 | 51% | 0.508 | 37% | 0.372 | S | S | . | . | | | trans | -145.5 | 78.7 | -180 | -167.1 | 22.7 | 0 | 0 | 0 | 110.8 | H129 Y134 | H129-N132 CarbonylContact O-C 3.27Å; H129-N132 VanDerWaalsContact O-C 3.27Å; H129-N132 PolarHBondContact O-N 3.05Å; N132-Y134 PolarHBondContact O-N 2.91Å; N132-Y134 WeakPolarHBondContact OD1-CD2 3.5Å |
| 133 | P | 95.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 37% | 0.373 | C | S | . | . | | | trans | -78.5 | 44.5 | -175.6 | 37.1 | -39.4 | 0 | 0 | 0 | 112.2 | L126 H129 P135 R162 M171 W173 | L126-P133 HydrophobicContact CD1-CB 3.41Å; L126-P133 VanDerWaalsContact CD1-CB 3.41Å; H129-P133 VanDerWaalsContact O-CA 3.31Å; H129-P133 WeakPolarHBondContact O-CA 3.44Å; H129-P133 WeakPolarHBondContact O-CB 3.28Å; H129-P133 VanDerWaalsContact O-N 3.08Å; P133-P135 WeakPolarHBondContact O-CD 3.4Å; P133-R162 HydrophobicContact CB-CG 4.11Å; P133-R162 HydrophobicContact CG-CG 3.72Å; P133-R162 WeakPolarHBondContact O-CD 3.42Å; P133-R162 PolarHBondContact O-NH1 3.09Å; P133-M171 HydrophobicContact CB-CE 4.38Å; P133-M171 VanDerWaalsContact CD-CE 3.47Å; P133-M171 HydrophobicContact CG-CE 3.42Å; P133-M171 VanDerWaalsContact CG-CE 3.42Å; P133-W173 HydrophobicContact CG-CH2 4.3Å; P133-W173 HydrophobicContact CG-CZ2 3.67Å |
| 134 | Y | 97.3 | Very high | 96 | Very high | 125 Ų | 125 | 69.3 Ų | 69.3 | 49% | 0.49 | 35% | 0.352 | S | S | . | . | | | trans | -114.4 | 93.5 | 176.7 | -70.5 | -96.8 | 0 | 0 | 0 | 107.4 | N132 T136 W173 | N132-Y134 PolarHBondContact O-N 2.91Å; N132-Y134 WeakPolarHBondContact OD1-CD2 3.5Å; Y134-T136 PolarHBondContact O-N 3.1Å; Y134-W173 HydrophobicContact CD2-CH2 4.3Å; Y134-W173 AromaticContact CE2-CH2 3.9Å; Y134-W173 HydrophobicContact CE2-CH2 3.9Å; Y134-W173 AromaticContact CE2-CZ2 3.94Å; Y134-W173 HydrophobicContact CE2-CZ2 3.94Å |
| 135 | P | 96.9 | Very high | 96 | Very high | 8 Ų | 8 | 72.7 Ų | 72.7 | 5% | 0.052 | 36% | 0.362 | C | S | . | . | | | trans | -64.3 | 137 | -179.5 | 24.1 | -31.9 | 0 | 0 | 0 | 110 | W125 P133 E139 K140 F158 | W125-P135 VanDerWaalsContact CH2-CA 3.41Å; W125-P135 HydrophobicContact CH2-CB 3.6Å; W125-P135 HydrophobicContact CH2-CG 4.15Å; W125-P135 VanDerWaalsContact CH2-N 3.34Å; W125-P135 VanDerWaalsContact CZ2-CA 3.49Å; W125-P135 HydrophobicContact CZ2-CB 3.57Å; W125-P135 HydrophobicContact CZ3-CB 4.15Å; W125-P135 HydrophobicContact CZ3-CG 4.33Å; P133-P135 WeakPolarHBondContact O-CD 3.4Å; P135-E139 WeakPolarHBondContact CA-OE2 3.49Å; P135-E139 HydrophobicContact CB-CB 4.02Å; P135-K140 HydrophobicContact CB-CG 3.88Å; P135-K140 HydrophobicContact CG-CG 3.77Å; P135-K140 WeakPolarHBondContact O-CE 3.17Å; P135-F158 HydrophobicContact CG-CD1 4.35Å; P135-F158 HydrophobicContact CG-CD2 3.89Å; P135-F158 HydrophobicContact CG-CE2 4.12Å; P135-F158 HydrophobicContact CG-CG 4.02Å; P135-F158 HydrophobicContact CG-CZ 4.46Å |
| 136 | T | 98.1 | Very high | 96 | Very high | 80 Ų | 80 | 76.4 Ų | 76.4 | 49% | 0.491 | 38% | 0.382 | S | S | . | . | | | trans | -63.2 | 169.9 | 173.4 | 61.5 | 0 | 0 | 0 | 0 | 111.1 | Y134 G138 E139 K140 | Y134-T136 PolarHBondContact O-N 3.1Å; T136-G138 VanDerWaalsContact C-N 3.33Å; T136-G138 PolarHBondContact O-N 3.31Å; T136-E139 WeakPolarHBondContact CB-OE2 3.4Å; T136-E139 WeakPolarHBondContact CG2-OE2 3.3Å; T136-E139 PolarHBondContact N-OE2 3.3Å; T136-E139 PolarHBondContact O-N 2.8Å; T136-E139 WeakPolarHBondContact OG1-CB 3.47Å; T136-E139 WeakPolarHBondContact OG1-CG 3.35Å; T136-E139 PolarHBondContact OG1-N 2.79Å; T136-E139 PolarHBondContact OG1-OE2 3.01Å; T136-K140 WeakPolarHBondContact O-CG 3.34Å; T136-K140 PolarHBondContact O-N 3.45Å |
| 137 | K | 97.3 | Very high | 96 | Very high | 119 Ų | 119 | 76.2 Ų | 76.2 | 52% | 0.517 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -56.4 | -47.5 | 177.4 | -170.7 | 176.3 | -179.5 | -178.7 | 0 | 111.2 | K140 I141 I204 | K137-K140 PolarHBondContact O-N 3.27Å; K137-I141 WeakPolarHBondContact O-CG1 3.18Å; K137-I141 PolarHBondContact O-N 2.75Å; K137-I204 VanDerWaalsContact CE-CD1 3.47Å; K137-I204 VanDerWaalsContact NZ-CD1 3.27Å |
| 138 | G | 98 | Very high | 96.2 | Very high | 48 Ų | 48 | 82.3 Ų | 82.3 | 50% | 0.495 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | T136 K140 I141 M142 | T136-G138 VanDerWaalsContact C-N 3.33Å; T136-G138 PolarHBondContact O-N 3.31Å; G138-K140 VanDerWaalsContact C-N 3.35Å; G138-K140 PolarHBondContact O-N 3.21Å; G138-I141 PolarHBondContact O-N 2.88Å; G138-M142 PolarHBondContact O-N 3.36Å |
| 139 | E | 98 | Very high | 96.1 | Very high | 38 Ų | 38 | 76.1 Ų | 76.1 | 18% | 0.178 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.2 | -37.6 | 178.9 | -70.5 | 171.6 | 119.9 | 0 | 0 | 112.6 | W125 H129 P135 T136 I141 M142 L143 | W125-E139 WeakPolarHBondContact CZ2-OE1 3.34Å; W125-E139 PolarHBondContact NE1-OE1 2.87Å; H129-E139 IonicContact CE1-OE1 3.74Å; H129-E139 IonicContact NE2-OE1 3.49Å; H129-E139 PolarHBondContact NE2-OE1 2.87Å; P135-E139 WeakPolarHBondContact CA-OE2 3.49Å; P135-E139 HydrophobicContact CB-CB 4.02Å; T136-E139 WeakPolarHBondContact CB-OE2 3.4Å; T136-E139 WeakPolarHBondContact CG2-OE2 3.3Å; T136-E139 PolarHBondContact N-OE2 3.3Å; T136-E139 PolarHBondContact O-N 2.8Å; T136-E139 WeakPolarHBondContact OG1-CB 3.47Å; T136-E139 WeakPolarHBondContact OG1-CG 3.35Å; T136-E139 PolarHBondContact OG1-N 2.79Å; T136-E139 PolarHBondContact OG1-OE2 3.01Å; E139-I141 VanDerWaalsContact C-N 3.3Å; E139-I141 PolarHBondContact O-N 3.49Å; E139-M142 PolarHBondContact O-N 3.02Å; E139-L143 VanDerWaalsContact O-CB 3.28Å; E139-L143 WeakPolarHBondContact O-CB 3.45Å; E139-L143 WeakPolarHBondContact O-CG 3.21Å; E139-L143 PolarHBondContact O-N 3.29Å |
| 140 | K | 97.8 | Very high | 96.2 | Very high | 66 Ų | 66 | 77.2 Ų | 77.2 | 29% | 0.287 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.1 | -38.7 | 175.3 | -70.9 | 174.1 | -177.7 | 158.3 | 0 | 111.8 | P135 T136 K137 G138 A144 L151 | P135-K140 HydrophobicContact CB-CG 3.88Å; P135-K140 HydrophobicContact CG-CG 3.77Å; P135-K140 WeakPolarHBondContact O-CE 3.17Å; T136-K140 WeakPolarHBondContact O-CG 3.34Å; T136-K140 PolarHBondContact O-N 3.45Å; K137-K140 PolarHBondContact O-N 3.27Å; G138-K140 VanDerWaalsContact C-N 3.35Å; G138-K140 PolarHBondContact O-N 3.21Å; K140-A144 VanDerWaalsContact O-CB 3.27Å; K140-A144 WeakPolarHBondContact O-CB 3.09Å; K140-A144 PolarHBondContact O-N 2.85Å; K140-L151 HydrophobicContact CB-CD1 3.47Å; K140-L151 VanDerWaalsContact CB-CD1 3.47Å; K140-L151 HydrophobicContact CD-CD1 4.37Å; K140-L151 HydrophobicContact CG-CD1 4.47Å |
| 141 | I | 97.8 | Very high | 96.4 | Very high | 85 Ų | 85 | 75.4 Ų | 75.4 | 44% | 0.436 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.4 | -50.1 | 175.3 | -65.6 | 167.3 | 0 | 0 | 0 | 109.8 | K137 G138 E139 L143 A144 I145 | K137-I141 WeakPolarHBondContact O-CG1 3.18Å; K137-I141 PolarHBondContact O-N 2.75Å; G138-I141 PolarHBondContact O-N 2.88Å; E139-I141 VanDerWaalsContact C-N 3.3Å; E139-I141 PolarHBondContact O-N 3.49Å; I141-L143 VanDerWaalsContact C-N 3.31Å; I141-L143 PolarHBondContact O-N 2.86Å; I141-A144 WeakPolarHBondContact O-CB 3.43Å; I141-A144 PolarHBondContact O-N 3.2Å; I141-A144 VanDerWaalsContact O-N 3.13Å; I141-I145 HydrophobicContact CG2-CD1 3.89Å; I141-I145 WeakPolarHBondContact O-CG1 3.34Å; I141-I145 PolarHBondContact O-N 3.45Å |
| 142 | M | 98.2 | Very high | 96.8 | Very high | 96 Ų | 96 | 71.2 Ų | 71.2 | 47% | 0.473 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.2 | -45.3 | 178 | -175.5 | 178.6 | 67.1 | 0 | 0 | 111.6 | G138 E139 I145 I146 | G138-M142 PolarHBondContact O-N 3.36Å; E139-M142 PolarHBondContact O-N 3.02Å; M142-I145 PolarHBondContact O-N 3.49Å; M142-I146 HydrophobicContact CG-CD1 3.84Å; M142-I146 VanDerWaalsContact O-CG1 3.3Å; M142-I146 WeakPolarHBondContact O-CG1 3.22Å; M142-I146 PolarHBondContact O-N 2.93Å |
| 143 | L | 98.1 | Very high | 97.1 | Very high | 4 Ų | 4 | 71.1 Ų | 71.1 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 176.9 | -70.7 | 170.1 | 0 | 0 | 0 | 111.5 | T121 L122 W125 E139 I141 I145 I146 T147 V154 F158 | T121-L143 HydrophobicContact CG2-CD2 3.97Å; L122-L143 HydrophobicContact CD2-CB 4.25Å; L122-L143 HydrophobicContact CD2-CD1 4.42Å; L122-L143 HydrophobicContact CD2-CD2 4.32Å; W125-L143 HydrophobicContact CB-CD1 4.44Å; W125-L143 HydrophobicContact CB-CD2 4.14Å; W125-L143 HydrophobicContact CD2-CD1 4.17Å; W125-L143 HydrophobicContact CG-CD1 3.97Å; W125-L143 HydrophobicContact CG-CD2 4.31Å; E139-L143 VanDerWaalsContact O-CB 3.28Å; E139-L143 WeakPolarHBondContact O-CB 3.45Å; E139-L143 WeakPolarHBondContact O-CG 3.21Å; E139-L143 PolarHBondContact O-N 3.29Å; I141-L143 VanDerWaalsContact C-N 3.31Å; I141-L143 PolarHBondContact O-N 2.86Å; L143-I145 VanDerWaalsContact C-N 3.34Å; L143-I145 PolarHBondContact O-N 3.03Å; L143-I146 PolarHBondContact O-N 3.22Å; L143-T147 VanDerWaalsContact O-CB 3.22Å; L143-T147 WeakPolarHBondContact O-CB 3.41Å; L143-T147 VanDerWaalsContact O-CG2 3.22Å; L143-T147 WeakPolarHBondContact O-CG2 3.31Å; L143-T147 PolarHBondContact O-N 3.36Å; L143-T147 PolarHBondContact O-OG1 3.16Å; L143-V154 HydrophobicContact CB-CG1 4.1Å; L143-F158 HydrophobicContact CD1-CE2 3.64Å; L143-F158 HydrophobicContact CD1-CZ 3.83Å |
| 144 | A | 97.4 | Very high | 97.2 | Very high | 15 Ų | 15 | 71.1 Ų | 71.1 | 12% | 0.124 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59 | -44.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K140 I141 K148 M149 V154 | K140-A144 VanDerWaalsContact O-CB 3.27Å; K140-A144 WeakPolarHBondContact O-CB 3.09Å; K140-A144 PolarHBondContact O-N 2.85Å; I141-A144 WeakPolarHBondContact O-CB 3.43Å; I141-A144 PolarHBondContact O-N 3.2Å; I141-A144 VanDerWaalsContact O-N 3.13Å; A144-K148 VanDerWaalsContact O-CA 3.29Å; A144-K148 WeakPolarHBondContact O-CA 3.42Å; A144-K148 PolarHBondContact O-N 3.02Å; A144-M149 WeakPolarHBondContact CA-O 3.49Å; A144-M149 VanDerWaalsContact CB-O 3.29Å; A144-M149 WeakPolarHBondContact CB-O 3.49Å; A144-M149 PolarHBondContact O-N 2.66Å; A144-M149 VanDerWaalsContact O-N 3.16Å; A144-V154 HydrophobicContact CB-CG2 4.11Å |
| 145 | I | 97.3 | Very high | 97.2 | Very high | 123 Ų | 123 | 67.7 Ų | 67.7 | 63% | 0.631 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62 | -52.7 | 177.1 | -65.8 | 166.4 | 0 | 0 | 0 | 110.8 | I141 M142 L143 T147 K148 | I141-I145 HydrophobicContact CG2-CD1 3.89Å; I141-I145 WeakPolarHBondContact O-CG1 3.34Å; I141-I145 PolarHBondContact O-N 3.45Å; M142-I145 PolarHBondContact O-N 3.49Å; L143-I145 VanDerWaalsContact C-N 3.34Å; L143-I145 PolarHBondContact O-N 3.03Å; I145-T147 PolarHBondContact O-N 3.05Å; I145-K148 PolarHBondContact O-N 3.34Å |
| 146 | I | 96.8 | Very high | 97.2 | Very high | 95 Ų | 95 | 71.3 Ų | 71.3 | 49% | 0.487 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.1 | -42.4 | -176.8 | -64.4 | 166.4 | 0 | 0 | 0 | 111.3 | T121 M142 L143 K148 | T121-I146 HydrophobicContact CG2-CB 4.44Å; T121-I146 HydrophobicContact CG2-CG2 3.75Å; M142-I146 HydrophobicContact CG-CD1 3.84Å; M142-I146 VanDerWaalsContact O-CG1 3.3Å; M142-I146 WeakPolarHBondContact O-CG1 3.22Å; M142-I146 PolarHBondContact O-N 2.93Å; L143-I146 PolarHBondContact O-N 3.22Å; I146-K148 VanDerWaalsContact C-N 3.31Å |
| 147 | T | 96.9 | Very high | 97.2 | Very high | 10 Ų | 10 | 70 Ų | 70 | 6% | 0.061 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -82.5 | -11.7 | -176.5 | 61.2 | 0 | 0 | 0 | 0 | 113.4 | S118 T121 L122 L143 I145 M149 | S118-T147 WeakPolarHBondContact CB-O 3.19Å; S118-T147 WeakPolarHBondContact O-CG2 3.48Å; T121-T147 HydrophobicContact CG2-CG2 4.31Å; L122-T147 HydrophobicContact CD2-CG2 3.94Å; L122-T147 HydrophobicContact CG-CG2 3.9Å; L143-T147 VanDerWaalsContact O-CB 3.22Å; L143-T147 WeakPolarHBondContact O-CB 3.41Å; L143-T147 VanDerWaalsContact O-CG2 3.22Å; L143-T147 WeakPolarHBondContact O-CG2 3.31Å; L143-T147 PolarHBondContact O-N 3.36Å; L143-T147 PolarHBondContact O-OG1 3.16Å; I145-T147 PolarHBondContact O-N 3.05Å; T147-M149 PolarHBondContact O-N 3.17Å; T147-M149 WeakPolarHBondContact OG1-CB 3.33Å |
| 148 | K | 96.1 | Very high | 97.2 | Very high | 196 Ų | 196 | 64.4 Ų | 64.4 | 85% | 0.852 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 34.7 | -171.2 | -55.3 | 179.4 | -179.7 | 174.8 | 0 | 112.2 | A144 I145 I146 | A144-K148 VanDerWaalsContact O-CA 3.29Å; A144-K148 WeakPolarHBondContact O-CA 3.42Å; A144-K148 PolarHBondContact O-N 3.02Å; I145-K148 PolarHBondContact O-N 3.34Å; I146-K148 VanDerWaalsContact C-N 3.31Å |
| 149 | M | 94.6 | Very high | 97.1 | Very high | 24 Ų | 24 | 63.1 Ų | 63.1 | 12% | 0.118 | 33% | 0.33 | C | S | . | . | | | trans | -105.6 | 151.4 | 176.4 | -67.8 | 174.9 | 61.1 | 0 | 0 | 108.8 | A114 L122 A144 T147 Q153 V154 | A114-M149 HydrophobicContact CB-CE 4.33Å; A114-M149 HydrophobicContact CB-SD 4.16Å; L122-M149 HydrophobicContact CD1-CE 4.33Å; L122-M149 HydrophobicContact CD1-SD 3.94Å; A144-M149 WeakPolarHBondContact CA-O 3.49Å; A144-M149 VanDerWaalsContact CB-O 3.29Å; A144-M149 WeakPolarHBondContact CB-O 3.49Å; A144-M149 PolarHBondContact O-N 2.66Å; A144-M149 VanDerWaalsContact O-N 3.16Å; T147-M149 PolarHBondContact O-N 3.17Å; T147-M149 WeakPolarHBondContact OG1-CB 3.33Å; M149-Q153 HydrophobicContact CB-CB 4.1Å; M149-Q153 HydrophobicContact CE-CB 3.65Å; M149-V154 HydrophobicContact CB-CG2 3.89Å |
| 150 | T | 97.1 | Very high | 97 | Very high | 78 Ų | 78 | 64.4 Ų | 64.4 | 48% | 0.479 | 34% | 0.338 | S | S | . | . | | | trans | -67.2 | 153.7 | 172.5 | 70.9 | 0 | 0 | 0 | 0 | 110.1 | T152 Q153 V154 | T150-T152 PolarHBondContact O-N 3.07Å; T150-T152 VanDerWaalsContact O-N 3.16Å; T150-Q153 WeakPolarHBondContact O-CA 3.34Å; T150-Q153 WeakPolarHBondContact O-CB 3.29Å; T150-Q153 PolarHBondContact O-N 3.26Å; T150-Q153 VanDerWaalsContact OG1-CG 3.3Å; T150-Q153 WeakPolarHBondContact OG1-CG 3.3Å; T150-Q153 PolarHBondContact OG1-N 3.19Å; T150-V154 PolarHBondContact O-N 2.92Å |
| 151 | L | 96.7 | Very high | 96.9 | Very high | 89 Ų | 89 | 61.8 Ų | 61.8 | 47% | 0.466 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -52.2 | -40.4 | 176.7 | -175.8 | 61.7 | 0 | 0 | 0 | 111.8 | K140 Q153 V154 S155 | K140-L151 HydrophobicContact CB-CD1 3.47Å; K140-L151 VanDerWaalsContact CB-CD1 3.47Å; K140-L151 HydrophobicContact CD-CD1 4.37Å; K140-L151 HydrophobicContact CG-CD1 4.47Å; L151-Q153 PolarHBondContact O-N 3.31Å; L151-V154 PolarHBondContact O-N 3.45Å; L151-S155 WeakPolarHBondContact O-CB 3.46Å; L151-S155 PolarHBondContact O-N 2.91Å |
| 152 | T | 96.8 | Very high | 96.8 | Very high | 102 Ų | 102 | 60.2 Ų | 60.2 | 63% | 0.626 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61.4 | -42.2 | 175.7 | -51 | 0 | 0 | 0 | 0 | 112.4 | T150 S155 T156 | T150-T152 PolarHBondContact O-N 3.07Å; T150-T152 VanDerWaalsContact O-N 3.16Å; T152-S155 PolarHBondContact O-N 3.03Å; T152-T156 VanDerWaalsContact O-CB 3.3Å; T152-T156 WeakPolarHBondContact O-CB 3.32Å; T152-T156 PolarHBondContact O-N 2.83Å; T152-T156 PolarHBondContact O-OG1 3.15Å |
| 153 | Q | 96.9 | Very high | 96.5 | Very high | 93 Ų | 93 | 63.5 Ų | 63.5 | 44% | 0.435 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 177.3 | -72.2 | 170.9 | -25.3 | 0 | 0 | 111.4 | M149 T150 L151 T156 W157 | M149-Q153 HydrophobicContact CB-CB 4.1Å; M149-Q153 HydrophobicContact CE-CB 3.65Å; T150-Q153 WeakPolarHBondContact O-CA 3.34Å; T150-Q153 WeakPolarHBondContact O-CB 3.29Å; T150-Q153 PolarHBondContact O-N 3.26Å; T150-Q153 VanDerWaalsContact OG1-CG 3.3Å; T150-Q153 WeakPolarHBondContact OG1-CG 3.3Å; T150-Q153 PolarHBondContact OG1-N 3.19Å; L151-Q153 PolarHBondContact O-N 3.31Å; Q153-T156 PolarHBondContact O-N 3.48Å; Q153-W157 VanDerWaalsContact O-CB 3.29Å; Q153-W157 WeakPolarHBondContact O-CB 3.2Å; Q153-W157 PolarHBondContact O-N 3.35Å |
| 154 | V | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61 | -48.4 | 174.9 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | L122 L143 A144 M149 T150 L151 T156 W157 F158 | L122-V154 HydrophobicContact CD2-CG1 4.16Å; L143-V154 HydrophobicContact CB-CG1 4.1Å; A144-V154 HydrophobicContact CB-CG2 4.11Å; M149-V154 HydrophobicContact CB-CG2 3.89Å; T150-V154 PolarHBondContact O-N 2.92Å; L151-V154 PolarHBondContact O-N 3.45Å; V154-T156 PolarHBondContact O-N 3.35Å; V154-W157 WeakPolarHBondContact O-CB 2.87Å; V154-W157 PolarHBondContact O-N 3.07Å; V154-F158 HydrophobicContact CG1-CD2 3.86Å; V154-F158 HydrophobicContact CG1-CE2 3.85Å; V154-F158 WeakPolarHBondContact O-CD2 2.87Å; V154-F158 PolarHBondContact O-N 3.43Å |
| 155 | S | 97.4 | Very high | 95.7 | Very high | 53 Ų | 53 | 70.9 Ų | 70.9 | 37% | 0.371 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57.6 | -48.1 | 177.8 | -177.1 | 0 | 0 | 0 | 0 | 112.2 | L151 T152 W157 F158 A159 | L151-S155 WeakPolarHBondContact O-CB 3.46Å; L151-S155 PolarHBondContact O-N 2.91Å; T152-S155 PolarHBondContact O-N 3.03Å; S155-W157 VanDerWaalsContact C-N 3.32Å; S155-W157 PolarHBondContact O-N 2.83Å; S155-F158 PolarHBondContact O-N 3.2Å; S155-A159 PolarHBondContact O-N 3.33Å |
| 156 | T | 97.3 | Very high | 95 | Very high | 83 Ų | 83 | 73 Ų | 73 | 51% | 0.509 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 178.4 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | T152 Q153 V154 A159 N160 | T152-T156 VanDerWaalsContact O-CB 3.3Å; T152-T156 WeakPolarHBondContact O-CB 3.32Å; T152-T156 PolarHBondContact O-N 2.83Å; T152-T156 PolarHBondContact O-OG1 3.15Å; Q153-T156 PolarHBondContact O-N 3.48Å; V154-T156 PolarHBondContact O-N 3.35Å; T156-A159 PolarHBondContact O-N 3.42Å; T156-N160 PolarHBondContact O-N 2.89Å |
| 157 | W | 97.1 | Very high | 94.2 | Very high | 52 Ų | 52 | 77.7 Ų | 77.7 | 20% | 0.197 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.9 | -48.4 | 178 | -169.8 | 99.7 | 0 | 0 | 0 | 111.1 | T119 L122 K123 L126 Q153 V154 S155 A159 N160 A161 | T119-W157 HydrophobicContact CG2-CZ2 3.85Å; L122-W157 HydrophobicContact CB-CD2 4.14Å; L122-W157 HydrophobicContact CB-CE3 3.89Å; L122-W157 HydrophobicContact CB-CH2 3.69Å; L122-W157 HydrophobicContact CB-CZ2 3.91Å; L122-W157 HydrophobicContact CB-CZ3 3.67Å; L122-W157 HydrophobicContact CD1-CB 4.37Å; L122-W157 HydrophobicContact CD1-CD2 3.69Å; L122-W157 HydrophobicContact CD1-CE3 4.11Å; L122-W157 HydrophobicContact CD1-CG 3.78Å; L122-W157 HydrophobicContact CG-CD2 4.48Å; L122-W157 HydrophobicContact CG-CE3 4.47Å; K123-W157 HydrophobicContact CG-CH2 4.06Å; K123-W157 HydrophobicContact CG-CZ2 4.14Å; L126-W157 HydrophobicContact CD2-CH2 4.22Å; L126-W157 HydrophobicContact CD2-CZ3 4.26Å; Q153-W157 VanDerWaalsContact O-CB 3.29Å; Q153-W157 WeakPolarHBondContact O-CB 3.2Å; Q153-W157 PolarHBondContact O-N 3.35Å; V154-W157 WeakPolarHBondContact O-CB 2.87Å; V154-W157 PolarHBondContact O-N 3.07Å; S155-W157 VanDerWaalsContact C-N 3.32Å; S155-W157 PolarHBondContact O-N 2.83Å; W157-A159 PolarHBondContact O-N 3.02Å; W157-N160 PolarHBondContact O-N 2.99Å; W157-A161 HydrophobicContact CE3-CB 4.01Å; W157-A161 HydrophobicContact CH2-CB 4.18Å; W157-A161 HydrophobicContact CZ3-CB 3.77Å; W157-A161 WeakPolarHBondContact O-CB 3.17Å; W157-A161 PolarHBondContact O-N 2.92Å |
| 158 | F | 97.3 | Very high | 93 | Very high | 2 Ų | 2 | 81.4 Ų | 81.4 | 1% | 0.009 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.7 | -38.2 | 177.5 | -85.6 | -74.2 | 0 | 0 | 0 | 112.9 | L122 W125 L126 P135 L143 V154 S155 N160 A161 R162 | L122-F158 HydrophobicContact CD2-CE2 3.77Å; L122-F158 HydrophobicContact CD2-CZ 4.26Å; W125-F158 HydrophobicContact CD2-CE1 4.33Å; W125-F158 HydrophobicContact CD2-CZ 4.06Å; W125-F158 HydrophobicContact CE3-CD1 4.35Å; W125-F158 AromaticContact CE3-CE1 3.28Å; W125-F158 HydrophobicContact CE3-CE1 3.28Å; W125-F158 AromaticContact CE3-CZ 3.42Å; W125-F158 HydrophobicContact CE3-CZ 3.42Å; W125-F158 VanDerWaalsContact CE3-CZ 3.42Å; W125-F158 HydrophobicContact CZ3-CD1 4.19Å; W125-F158 AromaticContact CZ3-CE1 3.52Å; W125-F158 HydrophobicContact CZ3-CE1 3.52Å; W125-F158 HydrophobicContact CZ3-CZ 4Å; L126-F158 HydrophobicContact CB-CE1 4.24Å; L126-F158 HydrophobicContact CD1-CD1 4.35Å; L126-F158 HydrophobicContact CD1-CE1 4.19Å; P135-F158 HydrophobicContact CG-CD1 4.35Å; P135-F158 HydrophobicContact CG-CD2 3.89Å; P135-F158 HydrophobicContact CG-CE2 4.12Å; P135-F158 HydrophobicContact CG-CG 4.02Å; P135-F158 HydrophobicContact CG-CZ 4.46Å; L143-F158 HydrophobicContact CD1-CE2 3.64Å; L143-F158 HydrophobicContact CD1-CZ 3.83Å; V154-F158 HydrophobicContact CG1-CD2 3.86Å; V154-F158 HydrophobicContact CG1-CE2 3.85Å; V154-F158 WeakPolarHBondContact O-CD2 2.87Å; V154-F158 PolarHBondContact O-N 3.43Å; S155-F158 PolarHBondContact O-N 3.2Å; F158-N160 VanDerWaalsContact C-N 3.32Å; F158-N160 PolarHBondContact O-N 3.47Å; F158-A161 PolarHBondContact O-N 2.87Å; F158-R162 WeakPolarHBondContact O-CB 3.45Å; F158-R162 WeakPolarHBondContact O-CG 3.28Å; F158-R162 PolarHBondContact O-N 3.5Å |
| 159 | A | 96.3 | Very high | 91.5 | Very high | 21 Ų | 21 | 78.3 Ų | 78.3 | 17% | 0.174 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S155 T156 W157 R163 | S155-A159 PolarHBondContact O-N 3.33Å; T156-A159 PolarHBondContact O-N 3.42Å; W157-A159 PolarHBondContact O-N 3.02Å; A159-R163 VanDerWaalsContact O-CG 3.28Å; A159-R163 WeakPolarHBondContact O-CG 3.17Å; A159-R163 PolarHBondContact O-N 2.89Å; A159-R163 PolarHBondContact O-NH1 3.45Å |
| 160 | N | 96.3 | Very high | 90.1 | Very high | 66 Ų | 66 | 83.1 Ų | 83.1 | 35% | 0.353 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.6 | -45.6 | 176.4 | -163.1 | -60.7 | 0 | 0 | 0 | 111.8 | T156 W157 F158 R162 R163 R164 | T156-N160 PolarHBondContact O-N 2.89Å; W157-N160 PolarHBondContact O-N 2.99Å; F158-N160 VanDerWaalsContact C-N 3.32Å; F158-N160 PolarHBondContact O-N 3.47Å; N160-R162 PolarHBondContact O-N 2.92Å; N160-R163 WeakPolarHBondContact O-CB 3.37Å; N160-R163 PolarHBondContact O-N 2.76Å; N160-R164 WeakPolarHBondContact O-CG 3.38Å; N160-R164 PolarHBondContact O-N 2.82Å; N160-R164 PolarHBondContact OD1-NE 3.46Å; N160-R164 PolarHBondContact OD1-NH2 3.04Å |
| 161 | A | 95 | Very high | 88.6 | Confident | 10 Ų | 10 | 80.1 Ų | 80.1 | 8% | 0.083 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -57.9 | -51.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L126 W157 F158 R163 R164 L165 | L126-A161 HydrophobicContact CD2-CB 3.96Å; W157-A161 HydrophobicContact CE3-CB 4.01Å; W157-A161 HydrophobicContact CH2-CB 4.18Å; W157-A161 HydrophobicContact CZ3-CB 3.77Å; W157-A161 WeakPolarHBondContact O-CB 3.17Å; W157-A161 PolarHBondContact O-N 2.92Å; F158-A161 PolarHBondContact O-N 2.87Å; A161-R163 VanDerWaalsContact C-N 3.29Å; A161-R163 PolarHBondContact O-N 3.29Å; A161-R164 WeakPolarHBondContact O-CB 3.43Å; A161-R164 PolarHBondContact O-N 3.19Å; A161-L165 HydrophobicContact CB-CD1 4.5Å; A161-L165 WeakPolarHBondContact O-CD1 3.01Å; A161-L165 PolarHBondContact O-N 3.45Å |
| 162 | R | 94.9 | Very high | 86.7 | Confident | 53 Ų | 53 | 81.5 Ų | 81.5 | 20% | 0.2 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -56.1 | -40.6 | 176.8 | -73.2 | -166 | -63.7 | -93.3 | 3 | 113 | P133 F158 N160 L165 K166 | P133-R162 HydrophobicContact CB-CG 4.11Å; P133-R162 HydrophobicContact CG-CG 3.72Å; P133-R162 WeakPolarHBondContact O-CD 3.42Å; P133-R162 PolarHBondContact O-NH1 3.09Å; F158-R162 WeakPolarHBondContact O-CB 3.45Å; F158-R162 WeakPolarHBondContact O-CG 3.28Å; F158-R162 PolarHBondContact O-N 3.5Å; N160-R162 PolarHBondContact O-N 2.92Å; R162-L165 PolarHBondContact O-N 3.4Å; R162-K166 PolarHBondContact O-N 2.96Å |
| 163 | R | 93.6 | Very high | 84.7 | Confident | 164 Ų | 164 | 81.7 Ų | 81.7 | 62% | 0.619 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.5 | -42.1 | 176.1 | -71.4 | 177.8 | -161.9 | 114.2 | -5.8 | 111.8 | A159 N160 A161 K166 K167 | A159-R163 VanDerWaalsContact O-CG 3.28Å; A159-R163 WeakPolarHBondContact O-CG 3.17Å; A159-R163 PolarHBondContact O-N 2.89Å; A159-R163 PolarHBondContact O-NH1 3.45Å; N160-R163 WeakPolarHBondContact O-CB 3.37Å; N160-R163 PolarHBondContact O-N 2.76Å; A161-R163 VanDerWaalsContact C-N 3.29Å; A161-R163 PolarHBondContact O-N 3.29Å; R163-K166 PolarHBondContact O-N 3.32Å; R163-K167 PolarHBondContact O-N 3.36Å |
| 164 | R | 91.4 | Very high | 82.3 | Confident | 159 Ų | 159 | 82.3 Ų | 82.3 | 60% | 0.6 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.1 | -49.1 | 176 | -69.9 | 177.5 | -177.5 | 176.7 | 1 | 110.6 | N160 A161 K166 K167 E168 | N160-R164 WeakPolarHBondContact O-CG 3.38Å; N160-R164 PolarHBondContact O-N 2.82Å; N160-R164 PolarHBondContact OD1-NE 3.46Å; N160-R164 PolarHBondContact OD1-NH2 3.04Å; A161-R164 WeakPolarHBondContact O-CB 3.43Å; A161-R164 PolarHBondContact O-N 3.19Å; R164-K166 VanDerWaalsContact C-N 3.3Å; R164-K166 PolarHBondContact O-N 3.33Å; R164-K167 PolarHBondContact O-N 3.49Å; R164-E168 WeakPolarHBondContact O-CG 3.44Å; R164-E168 PolarHBondContact O-N 3.45Å |
| 165 | L | 86.9 | Confident | 80 | Confident | 15 Ų | 15 | 87.8 Ų | 87.8 | 8% | 0.079 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -56.2 | -41.5 | 178 | -91.3 | 84.8 | 0 | 0 | 0 | 112.4 | L126 A161 R162 K170 M171 | L126-L165 HydrophobicContact CD2-CD1 3.85Å; L126-L165 HydrophobicContact CD2-CD2 4.38Å; A161-L165 HydrophobicContact CB-CD1 4.5Å; A161-L165 WeakPolarHBondContact O-CD1 3.01Å; A161-L165 PolarHBondContact O-N 3.45Å; R162-L165 PolarHBondContact O-N 3.4Å; L165-K170 PolarHBondContact O-N 2.99Å; L165-M171 HydrophobicContact CB-CB 3.95Å; L165-M171 HydrophobicContact CB-CG 4.21Å; L165-M171 HydrophobicContact CB-SD 4.22Å; L165-M171 HydrophobicContact CD2-CG 4.48Å; L165-M171 HydrophobicContact CD2-SD 3.43Å; L165-M171 WeakPolarHBondContact CD2-SD 3.33Å; L165-M171 HydrophobicContact CG-SD 4.39Å; L165-M171 WeakPolarHBondContact O-CB 3.48Å |
| 166 | K | 81.3 | Confident | 77.5 | Confident | 168 Ų | 168 | 96.8 Ų | 96.8 | 73% | 0.73 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -66.1 | -42.7 | 174.8 | -175.7 | 174.5 | -178.4 | 174.8 | 0 | 112.7 | R162 R163 R164 | R162-K166 PolarHBondContact O-N 2.96Å; R163-K166 PolarHBondContact O-N 3.32Å; R164-K166 VanDerWaalsContact C-N 3.3Å; R164-K166 PolarHBondContact O-N 3.33Å |
| 167 | K | 79.9 | Confident | 74.6 | Confident | 193 Ų | 193 | 99.6 Ų | 99.6 | 84% | 0.839 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -68.8 | -36.2 | -178.6 | -177.6 | 175.6 | 178.9 | 178.7 | 0 | 112.4 | R163 R164 N169 | R163-K167 PolarHBondContact O-N 3.36Å; R164-K167 PolarHBondContact O-N 3.49Å; K167-N169 VanDerWaalsContact C-N 3.34Å |
| 168 | E | 73.6 | Confident | 72.2 | Confident | 89 Ų | 89 | 107.7 Ų | 107.7 | 42% | 0.416 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 11.9 | -173.5 | 70.2 | -169.3 | 160.4 | 0 | 0 | 114.3 | R164 K170 | R164-E168 WeakPolarHBondContact O-CG 3.44Å; R164-E168 PolarHBondContact O-N 3.45Å; E168-K170 HydrophobicContact CB-CG 4.45Å; E168-K170 HydrophobicContact CG-CB 3.78Å; E168-K170 HydrophobicContact CG-CD 3.6Å; E168-K170 HydrophobicContact CG-CG 3.62Å; E168-K170 PolarHBondContact O-N 3.35Å; E168-K170 WeakPolarHBondContact OE2-CE 3.5Å |
| 169 | N | 64.2 | Low | 69.7 | Low | 130 Ų | 130 | 113.1 Ų | 113.1 | 70% | 0.695 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 23.8 | -176.2 | -157.4 | 6.3 | 0 | 0 | 0 | 114.1 | K167 M171 | K167-N169 VanDerWaalsContact C-N 3.34Å; N169-M171 PolarHBondContact O-N 2.86Å |
| 170 | K | 65.3 | Low | 66.9 | Low | 125 Ų | 125 | 119.5 Ų | 119.5 | 54% | 0.543 | 56% | 0.562 | S | S | . | * | | | trans | -83.5 | 8.2 | 172.2 | -69 | 177.5 | -147 | -66.1 | 0 | 111.8 | L165 E168 | L165-K170 PolarHBondContact O-N 2.99Å; E168-K170 HydrophobicContact CB-CG 4.45Å; E168-K170 HydrophobicContact CG-CB 3.78Å; E168-K170 HydrophobicContact CG-CD 3.6Å; E168-K170 HydrophobicContact CG-CG 3.62Å; E168-K170 PolarHBondContact O-N 3.35Å; E168-K170 WeakPolarHBondContact OE2-CE 3.5Å |
| 171 | M | 64.9 | Low | 64.4 | Low | 16 Ų | 16 | 123.1 Ų | 123.1 | 8% | 0.079 | 58% | 0.577 | C | S | . | * | | | trans | -135.9 | 86.4 | -172.1 | -155.6 | 71.7 | 178.3 | 0 | 0 | 108.2 | R130 P133 L165 N169 W173 | R130-M171 WeakPolarHBondContact O-CE 3.48Å; P133-M171 HydrophobicContact CB-CE 4.38Å; P133-M171 VanDerWaalsContact CD-CE 3.47Å; P133-M171 HydrophobicContact CG-CE 3.42Å; P133-M171 VanDerWaalsContact CG-CE 3.42Å; L165-M171 HydrophobicContact CB-CB 3.95Å; L165-M171 HydrophobicContact CB-CG 4.21Å; L165-M171 HydrophobicContact CB-SD 4.22Å; L165-M171 HydrophobicContact CD2-CG 4.48Å; L165-M171 HydrophobicContact CD2-SD 3.43Å; L165-M171 WeakPolarHBondContact CD2-SD 3.33Å; L165-M171 HydrophobicContact CG-SD 4.39Å; L165-M171 WeakPolarHBondContact O-CB 3.48Å; N169-M171 PolarHBondContact O-N 2.86Å; M171-W173 HydrophobicContact CE-CD2 4.16Å; M171-W173 HydrophobicContact CE-CH2 4.29Å; M171-W173 HydrophobicContact CE-CZ2 3.41Å; M171-W173 VanDerWaalsContact CE-CZ2 3.41Å; M171-W173 HydrophobicContact CG-CD2 4.39Å; M171-W173 HydrophobicContact CG-CG 4.02Å; M171-W173 PolarHBondContact O-N 3.31Å |
| 172 | T | 56.6 | Low | 62.1 | Low | 117 Ų | 117 | 130.7 Ų | 130.7 | 72% | 0.718 | 61% | 0.611 | S | S | * | * | | | trans | -74.7 | 69.5 | 169.2 | -31.8 | 0 | 0 | 0 | 0 | 108 | T174 | T172-T174 HydrophobicContact CG2-CG2 4.09Å; T172-T174 PolarHBondContact O-N 2.98Å |
| 173 | W | 54.4 | Low | 59.9 | Low | 106 Ų | 106 | 132 Ų | 132 | 40% | 0.402 | 64% | 0.641 | S | S | . | * | | | trans | -68.5 | 85.3 | 153.8 | -66.3 | 111.4 | 0 | 0 | 0 | 105.2 | K131 P133 Y134 M171 P175 | K131-W173 WeakPolarHBondContact O-CH2 2.84Å; K131-W173 WeakPolarHBondContact O-CZ3 3.13Å; P133-W173 HydrophobicContact CG-CH2 4.3Å; P133-W173 HydrophobicContact CG-CZ2 3.67Å; Y134-W173 HydrophobicContact CD2-CH2 4.3Å; Y134-W173 AromaticContact CE2-CH2 3.9Å; Y134-W173 HydrophobicContact CE2-CH2 3.9Å; Y134-W173 AromaticContact CE2-CZ2 3.94Å; Y134-W173 HydrophobicContact CE2-CZ2 3.94Å; M171-W173 HydrophobicContact CE-CD2 4.16Å; M171-W173 HydrophobicContact CE-CH2 4.29Å; M171-W173 HydrophobicContact CE-CZ2 3.41Å; M171-W173 VanDerWaalsContact CE-CZ2 3.41Å; M171-W173 HydrophobicContact CG-CD2 4.39Å; M171-W173 HydrophobicContact CG-CG 4.02Å; M171-W173 PolarHBondContact O-N 3.31Å; W173-P175 WeakPolarHBondContact O-CD 2.98Å |
| 174 | T | 46.4 | Very low | 57.1 | Low | 106 Ų | 106 | 131.8 Ų | 131.8 | 65% | 0.65 | 65% | 0.652 | S | S | * | * | | | trans | -48.7 | 114.1 | 175.9 | 43.4 | 0 | 0 | 0 | 0 | 108.8 | T172 R176 | T172-T174 HydrophobicContact CG2-CG2 4.09Å; T172-T174 PolarHBondContact O-N 2.98Å; T174-R176 PolarHBondContact O-N 3.42Å |
| 175 | P | 49.3 | Very low | 55.1 | Low | 116 Ų | 116 | 130.3 Ų | 130.3 | 75% | 0.753 | 66% | 0.66 | S | S | * | * | | | trans | -67.5 | 117.6 | 139.9 | 3.7 | 17.4 | 0 | 0 | 0 | 103.1 | W173 N177 | W173-P175 WeakPolarHBondContact O-CD 2.98Å; P175-N177 PolarHBondContact O-N 3.44Å |
| 176 | R | 44.3 | Very low | 53 | Low | 241 Ų | 241 | 139.6 Ų | 139.6 | 91% | 0.909 | 70% | 0.696 | S | S | * | * | | | trans | -55.8 | 95.8 | 165.6 | -98.6 | -108.6 | -172 | 157.1 | 1.1 | 106.5 | T174 R178 | T174-R176 PolarHBondContact O-N 3.42Å; R176-R178 PolarHBondContact O-N 2.91Å |
| 177 | N | 37.6 | Very low | 51 | Low | 143 Ų | 143 | 138.1 Ų | 138.1 | 77% | 0.765 | 70% | 0.701 | S | S | * | * | | | trans | -64.9 | 118.8 | 166.4 | -167.1 | 58.3 | 0 | 0 | 0 | 105.1 | P175 | P175-N177 PolarHBondContact O-N 3.44Š|
| 178 | R | 46 | Very low | 49.4 | Very low | 221 Ų | 221 | 134.4 Ų | 134.4 | 83% | 0.834 | 70% | 0.699 | S | S | * | * | | | trans | -58.4 | 146.2 | 163.8 | -71.6 | -170.3 | 171.8 | -178.6 | -2.3 | 107.9 | R176 | R176-R178 PolarHBondContact O-N 2.91Š|
| 179 | T | 44.6 | Very low | 47.6 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 72% | 0.718 | 72% | 0.718 | S | S | * | * | | | trans | 67 | 88.4 | 164.3 | 45.7 | 0 | 0 | 0 | 0 | 117.5 | | |
| 180 | D | 38.4 | Very low | 46.3 | Very low | 154 Ų | 154 | 138 Ų | 138 | 82% | 0.824 | 72% | 0.716 | S | S | * | * | | | | -104.8 | 119.8 | 100.7 | 72.3 | 40.2 | 0 | 0 | 0 | 105.3 | | |
| 181 | E | 44.5 | Very low | 45 | Very low | 142 Ų | 142 | 139.9 Ų | 139.9 | 66% | 0.664 | 73% | 0.727 | S | S | * | * | | | | 63.3 | 88.9 | 72.9 | -61.3 | -152.8 | 158.9 | 0 | 0 | 112 | | |
| 182 | E | 46.4 | Very low | 43.6 | Very low | 169 Ų | 169 | 143.1 Ų | 143.1 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 57.8 | 98.7 | 159.5 | -58.9 | 79.1 | -121.6 | 0 | 0 | 120.3 | | |
| 183 | G | 48.4 | Very low | 42.7 | Very low | 80 Ų | 80 | 146.8 Ų | 146.8 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | | | trans | 134.8 | 74.3 | 136.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 184 | N | 33.7 | Very low | 42.4 | Very low | 160 Ų | 160 | 151.4 Ų | 151.4 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | | | trans | -152.1 | 88.4 | 141.4 | -157.9 | 14.2 | 0 | 0 | 0 | 110.4 | | |
| 185 | V | 50.4 | Low | 42.5 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | trans | -71.2 | 137.5 | 166.8 | 164.7 | 0 | 0 | 0 | 0 | 108 | | |
| 186 | Y | 43.1 | Very low | 42.4 | Very low | 210 Ų | 210 | 151 Ų | 151 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | | | trans | 98 | 74.9 | 164.5 | -123.9 | -95.6 | 0 | 0 | 0 | 118.5 | | |
| 187 | T | 38.3 | Very low | 42.8 | Very low | 138 Ų | 138 | 148.3 Ų | 148.3 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | | | trans | -172.2 | 100 | 131.1 | -91.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 188 | S | 46.9 | Very low | 43.2 | Very low | 114 Ų | 114 | 152.6 Ų | 152.6 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | | | trans | -144.4 | 115.7 | 161.8 | -174.8 | 0 | 0 | 0 | 0 | 107.4 | | |
| 189 | D | 36.8 | Very low | 43.4 | Very low | 153 Ų | 153 | 151 Ų | 151 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | 168.7 | 135 | 157.7 | -96.5 | -8.4 | 0 | 0 | 0 | 104.8 | | |
| 190 | H | 35.7 | Very low | 43.8 | Very low | 141 Ų | 141 | 152.7 Ų | 152.7 | 65% | 0.653 | 81% | 0.81 | S | S | * | * | | | cis | -169.9 | 115 | 4.8 | 172.7 | 75.3 | 0 | 0 | 0 | 103.7 | | |
| 191 | E | 38.6 | Very low | 44.6 | Very low | 166 Ų | 166 | 154.2 Ų | 154.2 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | | | | 76.4 | 125.9 | 109.1 | -58.1 | -177.2 | -131.2 | 0 | 0 | 117.2 | | |
| 192 | G | 35.3 | Very low | 45.1 | Very low | 84 Ų | 84 | 155.9 Ų | 155.9 | 87% | 0.866 | 82% | 0.82 | S | S | * | * | | | trans | 129.7 | 76.9 | 160 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 193 | E | 38 | Very low | 45.3 | Very low | 193 Ų | 193 | 157 Ų | 157 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | | | trans | -141.8 | 86.2 | 150.3 | -161.6 | 174.3 | -163.1 | 0 | 0 | 109.2 | | |
| 194 | E | 48.1 | Very low | 45.7 | Very low | 204 Ų | 204 | 157.6 Ų | 157.6 | 95% | 0.953 | 81% | 0.808 | S | S | * | * | | | trans | -82.3 | 121.8 | 161.8 | -172.2 | -178.1 | -144.2 | 0 | 0 | 107.2 | | |
| 195 | G | 48.3 | Very low | 46.9 | Very low | 66 Ų | 66 | 154.2 Ų | 154.2 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | | | trans | 136.6 | 69.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 196 | D | 47.5 | Very low | 47.2 | Very low | 146 Ų | 146 | 155.4 Ų | 155.4 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | | | trans | -157.6 | 85.4 | 141.3 | -151.6 | -6 | 0 | 0 | 0 | 110.8 | | |
| 197 | K | 51.3 | Low | 47.8 | Very low | 186 Ų | 186 | 152.8 Ų | 152.8 | 81% | 0.809 | 79% | 0.787 | S | S | * | * | | | trans | -134.4 | 115.4 | 166.2 | -75.3 | -173.5 | -177.5 | 172.3 | 0 | 107.5 | | |
| 198 | R | 47.7 | Very low | 48.2 | Very low | 232 Ų | 232 | 152.2 Ų | 152.2 | 88% | 0.875 | 78% | 0.778 | S | S | * | * | | | trans | 110.3 | 74.5 | 158.5 | -58.1 | 169.5 | -72.5 | -150.5 | 6.8 | 114.6 | | |
| 199 | E | 49.1 | Very low | 48.7 | Very low | 187 Ų | 187 | 152.5 Ų | 152.5 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | | | trans | -126 | 24.7 | 150.9 | -66.9 | -170.4 | -179.8 | 0 | 0 | 111.4 | | |
| 200 | D | 54.1 | Low | 49.4 | Very low | 153 Ų | 153 | 150.5 Ų | 150.5 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | trans | -89.7 | 134.7 | 164.3 | -77.3 | -31.1 | 0 | 0 | 0 | 108.1 | | |
| 201 | E | 54.3 | Low | 50.4 | Low | 187 Ų | 187 | 150.2 Ų | 150.2 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | | | trans | 98 | 53.9 | 173.5 | -52.1 | -177.6 | -161.2 | 0 | 0 | 117.7 | | |
| 202 | E | 54.8 | Low | 51 | Low | 177 Ų | 177 | 149.5 Ų | 149.5 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | | | trans | -114.8 | 86.1 | 137.8 | -71.7 | -168.8 | -173.2 | 0 | 0 | 109.2 | I204 | E202-I204 VanDerWaalsContact C-N 3.35Å; E202-I204 PolarHBondContact O-N 3.04Å |
| 203 | E | 51.8 | Low | 51.6 | Low | 193 Ų | 193 | 152.3 Ų | 152.3 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | | | trans | -63.9 | 96.3 | 163.7 | -163.4 | 171.3 | -148.4 | 0 | 0 | 107 | D205 | E203-D205 PolarHBondContact O-N 3.01Å; E203-D205 VanDerWaalsContact O-N 3.14Å |
| 204 | I | 56.7 | Low | 52.3 | Low | 92 Ų | 92 | 150.9 Ų | 150.9 | 47% | 0.472 | 76% | 0.756 | S | S | . | * | | | trans | -65.6 | 114.5 | 173.6 | 46.6 | 169.7 | 0 | 0 | 0 | 108.5 | K137 E202 L206 | K137-I204 VanDerWaalsContact CE-CD1 3.47Å; K137-I204 VanDerWaalsContact NZ-CD1 3.27Å; E202-I204 VanDerWaalsContact C-N 3.35Å; E202-I204 PolarHBondContact O-N 3.04Å; I204-L206 PolarHBondContact O-N 3.22Å |
| 205 | D | 57.5 | Low | 52.5 | Low | 89 Ų | 89 | 150 Ų | 150 | 48% | 0.476 | 75% | 0.752 | S | S | . | * | | | trans | -67.4 | 118.7 | 176.8 | -164.8 | 9.9 | 0 | 0 | 0 | 109.8 | E203 E207 | E203-D205 PolarHBondContact O-N 3.01Å; E203-D205 VanDerWaalsContact O-N 3.14Å; D205-E207 VanDerWaalsContact CG-CG 3.42Å; D205-E207 PolarHBondContact O-N 3.26Å; D205-E207 WeakPolarHBondContact OD1-CG 3.11Å; D205-E207 WeakPolarHBondContact OD2-CG 3.37Å |
| 206 | L | 57.9 | Low | 52.5 | Low | 153 Ų | 153 | 152.3 Ų | 152.3 | 80% | 0.801 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 2.4 | -172.7 | -73.5 | 170.8 | 0 | 0 | 0 | 113 | I204 | I204-L206 PolarHBondContact O-N 3.22Š|
| 207 | E | 56 | Low | 52.5 | Low | 154 Ų | 154 | 154.6 Ų | 154.6 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -9.1 | -178.5 | 28.1 | -172.6 | -177.4 | 0 | 0 | 114.5 | D205 | D205-E207 VanDerWaalsContact CG-CG 3.42Å; D205-E207 PolarHBondContact O-N 3.26Å; D205-E207 WeakPolarHBondContact OD1-CG 3.11Å; D205-E207 WeakPolarHBondContact OD2-CG 3.37Å |
| 208 | N | 45.7 | Very low | 52.6 | Low | 126 Ų | 126 | 152.7 Ų | 152.7 | 67% | 0.674 | 76% | 0.759 | S | S | * | * | | | trans | -115.3 | 9 | -174.5 | -78.1 | 42 | 0 | 0 | 0 | 116 | D210 | N208-D210 VanDerWaalsContact C-N 3.33Å; N208-D210 PolarHBondContact O-N 2.8Å; N208-D210 VanDerWaalsContact O-N 3.1Å |
| 209 | I | 57.5 | Low | 52.8 | Low | 120 Ų | 120 | 149.1 Ų | 149.1 | 62% | 0.615 | 76% | 0.758 | S | S | * | * | | | trans | -82.8 | 87.4 | 169.1 | -65.8 | 171.2 | 0 | 0 | 0 | 107.7 | T211 | I209-T211 HydrophobicContact CG2-CG2 4.33Å; I209-T211 PolarHBondContact O-N 3.35Å |
| 210 | D | 51.1 | Low | 52.9 | Low | 111 Ų | 111 | 148.6 Ų | 148.6 | 59% | 0.594 | 76% | 0.76 | S | S | * | * | | | trans | -64.1 | 98.2 | 168.4 | -80.9 | -27.4 | 0 | 0 | 0 | 109 | N208 E212 | N208-D210 VanDerWaalsContact C-N 3.33Å; N208-D210 PolarHBondContact O-N 2.8Å; N208-D210 VanDerWaalsContact O-N 3.1Å; D210-E212 HydrophobicContact CB-CG 3.92Å; D210-E212 PolarHBondContact O-N 3.16Å |
| 211 | T | 57.6 | Low | 52.6 | Low | 136 Ų | 136 | 148.3 Ų | 148.3 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 5.9 | 172.5 | 42.2 | 0 | 0 | 0 | 0 | 113.6 | I209 | I209-T211 HydrophobicContact CG2-CG2 4.33Å; I209-T211 PolarHBondContact O-N 3.35Å |
| 212 | E | 51.1 | Low | 52.4 | Low | 151 Ų | 151 | 146.4 Ų | 146.4 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -9.9 | -178.6 | 49.6 | -172.5 | -154.9 | 0 | 0 | 114.5 | D210 I214 | D210-E212 HydrophobicContact CB-CG 3.92Å; D210-E212 PolarHBondContact O-N 3.16Å; E212-I214 PolarHBondContact O-N 2.92Å |
| 213 | N | 47 | Very low | 52 | Low | 142 Ų | 142 | 146.3 Ų | 146.3 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | 12.6 | -176.4 | -168.7 | 55.4 | 0 | 0 | 0 | 115.5 | | |
| 214 | I | 53.6 | Low | 51.7 | Low | 163 Ų | 163 | 143.5 Ų | 143.5 | 84% | 0.836 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -9 | 175.3 | -83.7 | 170.4 | 0 | 0 | 0 | 113 | E212 | E212-I214 PolarHBondContact O-N 2.92Š|
| 215 | E | 52.6 | Low | 51.2 | Low | 185 Ų | 185 | 146.2 Ų | 146.2 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -102.7 | 14 | -176.1 | -82.5 | -174.1 | 170.3 | 0 | 0 | 115.7 | | |
| 216 | S | 47.1 | Very low | 50.7 | Low | 115 Ų | 115 | 148.8 Ų | 148.8 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | -133.7 | 55.9 | 175.3 | -83.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 217 | K | 48.9 | Very low | 50 | Low | 195 Ų | 195 | 149.7 Ų | 149.7 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | | | trans | -130.6 | 38.7 | 165.4 | -152.6 | 177.3 | 178.1 | 70.7 | 0 | 112.1 | | |
| 218 | D | 51.6 | Low | 49.4 | Very low | 145 Ų | 145 | 148.2 Ų | 148.2 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -126.9 | 132.4 | 159.2 | -65.6 | -48.4 | 0 | 0 | 0 | 105.3 | | |
| 219 | D | 52.7 | Low | 49.3 | Very low | 158 Ų | 158 | 149.1 Ų | 149.1 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | | | trans | 83.4 | 101.9 | -175 | -50.1 | -37.7 | 0 | 0 | 0 | 115.8 | | |
| 220 | L | 50.8 | Low | 48.7 | Very low | 175 Ų | 175 | 149.2 Ų | 149.2 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | | | | 176.1 | 95.5 | 122 | -85 | -175 | 0 | 0 | 0 | 109.6 | | |
| 221 | D | 47.9 | Very low | 48.3 | Very low | 148 Ų | 148 | 153.7 Ų | 153.7 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | | | trans | -77.6 | 156.5 | 158.4 | -74.9 | -46.4 | 0 | 0 | 0 | 110.5 | | |
| 222 | D | 50.2 | Low | 47.9 | Very low | 147 Ų | 147 | 154.2 Ų | 154.2 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | | | trans | 63.9 | 102.7 | 155.3 | -59.4 | -44.2 | 0 | 0 | 0 | 120.4 | | |
| 223 | Q | 47.6 | Very low | 47.4 | Very low | 175 Ų | 175 | 154.5 Ų | 154.5 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | | -173.8 | 126.3 | 128.5 | -141.7 | 101.1 | 66.1 | 0 | 0 | 114.4 | | |
| 224 | D | 45 | Very low | 46.9 | Very low | 134 Ų | 134 | 151 Ų | 151 | 72% | 0.717 | 80% | 0.8 | S | S | * | * | | | trans | 71.3 | 93.3 | 143.2 | -60.4 | -13.3 | 0 | 0 | 0 | 123.7 | | |
| 225 | D | 45.5 | Very low | 46.4 | Very low | 148 Ų | 148 | 154.8 Ų | 154.8 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | | | | 20.7 | 141.2 | 104.5 | -89.3 | -42 | 0 | 0 | 0 | 123.1 | | |
| 226 | L | 47.9 | Very low | 46 | Very low | 144 Ų | 144 | 151.5 Ų | 151.5 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | | | trans | 77 | 110.4 | 162 | -81.5 | 84.8 | 0 | 0 | 0 | 119.9 | | |
| 227 | H | 42.6 | Very low | 45.7 | Very low | 172 Ų | 172 | 153 Ų | 153 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | | | | 153 | 111.8 | 96.1 | -146 | -91.8 | 0 | 0 | 0 | 112 | | |
| 228 | S | 43.1 | Very low | 45.5 | Very low | 122 Ų | 122 | 149 Ų | 149 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | | | trans | 179.2 | 85.2 | 135.8 | 38.7 | 0 | 0 | 0 | 0 | 110 | | |
| 229 | D | 43.7 | Very low | 45.4 | Very low | 145 Ų | 145 | 150.6 Ų | 150.6 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | | | trans | -92 | 148.6 | 172.1 | -143.7 | -4.4 | 0 | 0 | 0 | 110.3 | | |
| 230 | I | 45 | Very low | 44.6 | Very low | 122 Ų | 122 | 150.9 Ų | 150.9 | 63% | 0.626 | 80% | 0.8 | S | S | * | * | | | trans | 83.3 | 108.4 | 152 | -50.9 | 145.2 | 0 | 0 | 0 | 119.3 | L232 | I230-L232 HydrophobicContact CG2-CD1 4.24Å; I230-L232 HydrophobicContact CG2-CG 4.24Å |
| 231 | K | 43.8 | Very low | 44.1 | Very low | 206 Ų | 206 | 146.9 Ų | 146.9 | 90% | 0.896 | 79% | 0.787 | S | S | * | * | | | | -135.8 | 116.4 | 120 | -153.7 | 162.1 | -174.9 | 174.8 | 0 | 110.7 | | |
| 232 | L | 48 | Very low | 43.7 | Very low | 147 Ų | 147 | 147.5 Ų | 147.5 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | | | trans | -97 | 135.5 | -178.8 | -83.9 | 163.5 | 0 | 0 | 0 | 111.2 | I230 | I230-L232 HydrophobicContact CG2-CD1 4.24Å; I230-L232 HydrophobicContact CG2-CG 4.24Å |
| 233 | D | 40.8 | Very low | 42.9 | Very low | 156 Ų | 156 | 143.8 Ų | 143.8 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | | | trans | -176.4 | 125.5 | 147 | 34.9 | -33.1 | 0 | 0 | 0 | 109.5 | | |
| 234 | G | 36.2 | Very low | 42.4 | Very low | 69 Ų | 69 | 146 Ų | 146 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | cis | 173.8 | 166.3 | -2.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 235 | R | 42.6 | Very low | 42.5 | Very low | 243 Ų | 243 | 147.7 Ų | 147.7 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | | | trans | 86.6 | 101 | 160.5 | -56.1 | -177.6 | 174.8 | -162 | -2.9 | 116.8 | | |
| 236 | S | 44.8 | Very low | 42.1 | Very low | 116 Ų | 116 | 146.5 Ų | 146.5 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | | | | 67.9 | 100.7 | 96.3 | -83.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 237 | D | 41.1 | Very low | 41.8 | Very low | 147 Ų | 147 | 145.3 Ų | 145.3 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | | | | 65.4 | 109.1 | 84.4 | -169.9 | 29.2 | 0 | 0 | 0 | 113.3 | | |
| 238 | S | 44.5 | Very low | 41.3 | Very low | 111 Ų | 111 | 145.4 Ų | 145.4 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | | 174.9 | 132.7 | 126.1 | 39.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 239 | E | 50.5 | Low | 41 | Very low | 178 Ų | 178 | 142.7 Ų | 142.7 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | | | trans | -58.8 | 158.1 | 163.7 | -55 | -179.9 | 114 | 0 | 0 | 112 | | |
| 240 | I | 33.9 | Very low | 41 | Very low | 164 Ų | 164 | 141.5 Ų | 141.5 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | | | trans | 144.7 | 135 | 130.6 | -154.6 | 82.4 | 0 | 0 | 0 | 113.4 | | |
| 241 | S | 40.5 | Very low | 40.4 | Very low | 91 Ų | 91 | 144 Ų | 144 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | | | trans | 98.4 | 94 | 140.9 | -155.6 | 0 | 0 | 0 | 0 | 119.8 | | |
| 242 | D | 39.6 | Very low | 40.1 | Very low | 160 Ų | 160 | 142 Ų | 142 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | | | | 46.5 | 126.5 | 114.3 | -59.6 | -25.2 | 0 | 0 | 0 | 121.4 | | |
| 243 | G | 34.9 | Very low | 39.5 | Very low | 69 Ų | 69 | 144.5 Ų | 144.5 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | | | | 152.7 | 108.7 | 128.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 244 | Y | 36.8 | Very low | 38.9 | Very low | 223 Ų | 223 | 143.8 Ų | 143.8 | 88% | 0.875 | 76% | 0.764 | S | S | * | * | | | trans | 90.9 | 101.8 | 154.5 | 119.2 | -90.1 | 0 | 0 | 0 | 118.3 | | |
| 245 | E | 46.7 | Very low | 38.6 | Very low | 169 Ų | 169 | 147.3 Ų | 147.3 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | | | | 70.4 | 132.1 | 75 | -80.5 | -160.2 | 178.7 | 0 | 0 | 113.2 | | |
| 246 | D | 38 | Very low | 38.1 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 65% | 0.652 | 76% | 0.764 | S | S | * | * | | | cis | -170.8 | 162 | 17.7 | -153.3 | -0 | 0 | 0 | 0 | 111.9 | | |
| 247 | L | 40.6 | Very low | 37.7 | Very low | 119 Ų | 119 | 143.6 Ų | 143.6 | 62% | 0.623 | 76% | 0.755 | S | S | * | * | | | trans | 61.4 | 111.3 | 156.6 | -51.7 | -179.3 | 0 | 0 | 0 | 125.7 | | |
| 248 | Q | 32.9 | Very low | 37.1 | Very low | 175 Ų | 175 | 143.8 Ų | 143.8 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | | 63.8 | 115.2 | 106.5 | -131.8 | 132.6 | 71.1 | 0 | 0 | 119.9 | | |
| 249 | G | 36 | Very low | 36.3 | Very low | 65 Ų | 65 | 141.5 Ų | 141.5 | 67% | 0.67 | 76% | 0.756 | S | S | * | * | | | trans | -63.7 | 175.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 250 | P | 43.4 | Very low | 35.7 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | | | | -155.8 | -172.8 | 51.9 | 41.6 | -18.7 | 0 | 0 | 0 | 116.4 | | |
| 251 | E | 33.3 | Very low | 35.4 | Very low | 174 Ų | 174 | 144 Ų | 144 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | | | trans | 65 | 119.1 | 148.5 | -77.7 | -170.4 | -164.4 | 0 | 0 | 123.2 | | |
| 252 | Q | 36.8 | Very low | 34.9 | Very low | 165 Ų | 165 | 144 Ų | 144 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | | | | 39.3 | 140.5 | 125.4 | -63.2 | -141.7 | 24.1 | 0 | 0 | 121.7 | | |
| 253 | R | 35 | Very low | 34.7 | Very low | 198 Ų | 198 | 145.6 Ų | 145.6 | 75% | 0.747 | 77% | 0.765 | S | S | * | * | | | trans | 95.1 | 130.9 | 142.2 | -88.7 | -171 | 164.9 | -168.8 | -4.3 | 118 | | |
| 254 | F | 29.2 | Very low | 34.3 | Very low | 142 Ų | 142 | 151 Ų | 151 | 62% | 0.623 | 77% | 0.772 | S | S | * | * | | | trans | 102.2 | 101.1 | 130.7 | -90.7 | -135.9 | 0 | 0 | 0 | 117.7 | | |
| 255 | L | 30.3 | Very low | 33.9 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | | | trans | 76.5 | 144.7 | 130.8 | -66.8 | 167.1 | 0 | 0 | 0 | 117.5 | | |
| 256 | K | 31.2 | Very low | 33 | Very low | 205 Ų | 205 | 145.1 Ų | 145.1 | 89% | 0.891 | 77% | 0.766 | S | S | * | * | | | trans | 91.3 | 129.2 | 147.7 | -149 | 170.5 | -176.4 | -177.2 | 0 | 112.8 | | |
| 257 | A | 35.7 | Very low | 32.6 | Very low | 75 Ų | 75 | 151.4 Ų | 151.4 | 62% | 0.62 | 78% | 0.78 | S | S | * | * | | | cis | -164 | 141.2 | 5.9 | 0 | 0 | 0 | 0 | 0 | 105.6 | | |
| 258 | V | 28.8 | Very low | 32 | Very low | 151 Ų | 151 | 149.4 Ų | 149.4 | 92% | 0.915 | 79% | 0.789 | S | S | * | * | | | | 43.7 | 114.3 | 98.9 | 163.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 259 | G | 28.8 | Very low | 31.9 | Very low | 64 Ų | 64 | 145 Ų | 145 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | | | trans | 124.7 | 97.6 | 150.2 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 260 | K | 36.5 | Very low | 31.6 | Very low | 211 Ų | 211 | 150.1 Ų | 150.1 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | | | | 174.5 | 133.3 | 93.5 | -95.4 | 174.3 | 175.2 | 176.9 | 0 | 111.8 | | |
| 261 | E | 27.7 | Very low | 31 | Very low | 184 Ų | 184 | 151.8 Ų | 151.8 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | -61.3 | 159.7 | 162.6 | -68.9 | -174.6 | 120.3 | 0 | 0 | 113.7 | | |
| 262 | A | 30.2 | Very low | 30.8 | Very low | 89 Ų | 89 | 151.4 Ų | 151.4 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | | | trans | 64.5 | 120.9 | 134.2 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 263 | K | 35 | Very low | 30.5 | Very low | 194 Ų | 194 | 152.1 Ų | 152.1 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | | | | 170.3 | 112.1 | 122 | -94 | 176.1 | 176.8 | -176.2 | 0 | 108.2 | | |
| 264 | E | 26.6 | Very low | 30.2 | Very low | 183 Ų | 183 | 145.8 Ų | 145.8 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | | | | 73.9 | 131.2 | 72.2 | -158.9 | 179.2 | -169.5 | 0 | 0 | 114.8 | | |
| 265 | A | 29.9 | Very low | 30.3 | Very low | 80 Ų | 80 | 148 Ų | 148 | 66% | 0.661 | 81% | 0.805 | S | S | * | * | | | trans | 99.9 | 95.1 | 153.9 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 266 | Q | 27.6 | Very low | 30.3 | Very low | 188 Ų | 188 | 150.1 Ų | 150.1 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | | | | 72.4 | 112.6 | 104.4 | -152.2 | 160 | 11.7 | 0 | 0 | 120.2 | | |
| 267 | R | 29.6 | Very low | 30.5 | Very low | 254 Ų | 254 | 149.2 Ų | 149.2 | 96% | 0.958 | 81% | 0.809 | S | S | * | * | | | trans | -151.6 | 122.8 | 138.6 | -130.3 | -179.4 | -162.5 | -112.3 | 3.5 | 110.3 | | |
| 268 | G | 27.8 | Very low | 30.2 | Very low | 78 Ų | 78 | 154.6 Ų | 154.6 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | | | trans | -88.5 | 177.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 269 | G | 30 | Very low | 30.5 | Very low | 81 Ų | 81 | 155.5 Ų | 155.5 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | | | trans | 159.8 | 107.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 270 | E | 29.9 | Very low | 31 | Very low | 174 Ų | 174 | 157.9 Ų | 157.9 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | | | trans | -73 | 158.4 | 179 | -52.8 | -160.6 | 145.2 | 0 | 0 | 114 | | |
| 271 | L | 31.7 | Very low | 30.6 | Very low | 154 Ų | 154 | 153.5 Ų | 153.5 | 81% | 0.806 | 82% | 0.815 | S | S | * | * | | | | 169.5 | 122.7 | 119.9 | -104.6 | 119.4 | 0 | 0 | 0 | 113.6 | | |
| 272 | F | 28.8 | Very low | 31 | Very low | 166 Ų | 166 | 152.8 Ų | 152.8 | 73% | 0.728 | 82% | 0.816 | S | S | * | * | | | trans | 29.8 | 123.4 | 141.7 | -80.3 | -100.3 | 0 | 0 | 0 | 122.4 | | |
| 273 | H | 31.3 | Very low | 31.1 | Very low | 181 Ų | 181 | 156.2 Ų | 156.2 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | | | | 174.7 | 130.9 | 100.8 | -89.9 | 87.4 | 0 | 0 | 0 | 110.8 | | |
| 274 | G | 27.5 | Very low | 30.9 | Very low | 65 Ų | 65 | 154.9 Ų | 154.9 | 67% | 0.67 | 82% | 0.823 | S | S | * | * | | | trans | -105.1 | 158.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 275 | H | 31.1 | Very low | 31.3 | Very low | 187 Ų | 187 | 156.1 Ų | 156.1 | 87% | 0.866 | 83% | 0.825 | S | S | * | * | | | trans | -150.8 | 112 | 155.7 | -97.8 | -45.8 | 0 | 0 | 0 | 110.7 | | |
| 276 | H | 31.2 | Very low | 31.4 | Very low | 189 Ų | 189 | 156.5 Ų | 156.5 | 88% | 0.875 | 83% | 0.828 | S | S | * | * | | | trans | -96.3 | 139.8 | 165.9 | -96.7 | -58 | 0 | 0 | 0 | 109.5 | | |
| 277 | H | 34.2 | Very low | 31.4 | Very low | 185 Ų | 185 | 153.6 Ų | 153.6 | 86% | 0.856 | 83% | 0.829 | S | S | * | * | | | trans | -104.8 | 143.4 | 169.6 | -86.3 | -70.3 | 0 | 0 | 0 | 112.3 | | |
| 278 | H | 31.1 | Very low | 31.5 | Very low | 188 Ų | 188 | 150.1 Ų | 150.1 | 87% | 0.87 | 82% | 0.823 | S | S | * | * | | | trans | -69.3 | 152.3 | -168.2 | -90.6 | -86.1 | 0 | 0 | 0 | 117 | | |
| 279 | H | 33.3 | Very low | 32.5 | Very low | 171 Ų | 171 | 151.8 Ų | 151.8 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | | | trans | -119.4 | 140.4 | 155.9 | -168.1 | -94.3 | 0 | 0 | 0 | 108.3 | | |
| 280 | P | 40.8 | Very low | 32.4 | Very low | 114 Ų | 114 | 155.4 Ų | 155.4 | 74% | 0.74 | 82% | 0.82 | S | S | * | * | | | trans | -100.5 | 140.1 | 173 | 34.2 | -26.1 | 0 | 0 | 0 | 112.2 | | |
| 281 | S | 28.1 | Very low | 32.4 | Very low | 118 Ų | 118 | 150.3 Ų | 150.3 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | | | trans | -131.2 | 136.6 | 165 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 282 | L | 35.9 | Very low | 32.4 | Very low | 169 Ų | 169 | 150.7 Ų | 150.7 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | | | trans | -88.5 | 150 | -175.1 | -71.6 | 168.5 | 0 | 0 | 0 | 112.8 | | |
| 283 | D | 31.4 | Very low | 32.5 | Very low | 161 Ų | 161 | 149.6 Ų | 149.6 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | | | trans | -66.9 | 148.8 | -172.8 | -77.4 | -67.3 | 0 | 0 | 0 | 116.6 | | |
| 284 | I | 31.8 | Very low | 32.6 | Very low | 167 Ų | 167 | 147.5 Ų | 147.5 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | | | trans | -108.2 | 129.9 | 162.5 | -75.3 | 167.9 | 0 | 0 | 0 | 107.9 | | |
| 285 | K | 33.9 | Very low | 32.8 | Very low | 209 Ų | 209 | 152.6 Ų | 152.6 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | | | trans | -143.5 | 133.7 | 157.8 | -162.4 | 168.3 | -177.8 | 176.3 | 0 | 112 | | |
| 286 | A | 32.6 | Very low | 32.8 | Very low | 88 Ų | 88 | 150 Ų | 150 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | -81.6 | 156.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 287 | S | 27.9 | Very low | 32.8 | Very low | 127 Ų | 127 | 147 Ų | 147 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | | | trans | -174.5 | 131.3 | 133.2 | -109.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 288 | Q | 31.9 | Very low | 32.7 | Very low | 181 Ų | 181 | 146.3 Ų | 146.3 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | | | trans | -90.6 | -175.1 | 164.5 | -94.5 | -164.7 | -11.4 | 0 | 0 | 110.1 | | |
| 289 | P | 49.1 | Very low | 32.7 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | | | cis | -134.5 | 179.6 | -10.4 | 21.9 | 3.3 | 0 | 0 | 0 | 114.2 | | |
| 290 | N | 26.1 | Very low | 32.7 | Very low | 157 Ų | 157 | 141 Ų | 141 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | | | | 136.5 | 137.4 | 128.4 | -159.1 | 27.3 | 0 | 0 | 0 | 117.4 | | |
| 291 | A | 30.8 | Very low | 32.3 | Very low | 67 Ų | 67 | 139.8 Ų | 139.8 | 55% | 0.554 | 78% | 0.776 | S | S | * | * | | | trans | 71.5 | 111.2 | 147.5 | 0 | 0 | 0 | 0 | 0 | 124 | | |
| 292 | E | 30.9 | Very low | 32.5 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | | | | 64.6 | 121.2 | 118.7 | -60.6 | -153.6 | 119.7 | 0 | 0 | 124.2 | | |
| 293 | Q | 30.4 | Very low | 32.4 | Very low | 143 Ų | 143 | 137 Ų | 137 | 67% | 0.668 | 77% | 0.772 | S | S | * | * | | | | 75.2 | 122.3 | 124.9 | -71.9 | -172.4 | 33.8 | 0 | 0 | 123.4 | | |
| 294 | L | 33.6 | Very low | 33.5 | Very low | 137 Ų | 137 | 134.9 Ų | 134.9 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | | | trans | 78.8 | 111.8 | 131.5 | -63.6 | 173 | 0 | 0 | 0 | 122 | | |
| 295 | K | 31.8 | Very low | 33.9 | Very low | 173 Ų | 173 | 133 Ų | 133 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | | | | 89.5 | 126.1 | 109.6 | -160.1 | 163.6 | -176.6 | 179.2 | 0 | 121.1 | | |
| 296 | L | 31.8 | Very low | 34 | Very low | 131 Ų | 131 | 128.4 Ų | 128.4 | 69% | 0.686 | 76% | 0.759 | S | S | * | * | | | trans | 88.9 | 124.8 | 145.9 | -77.9 | 165.8 | 0 | 0 | 0 | 123.9 | | |
| 297 | N | 30.5 | Very low | 34.1 | Very low | 127 Ų | 127 | 132.8 Ų | 132.8 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | | | trans | 84.5 | 121.4 | 131.7 | -84.9 | -0.4 | 0 | 0 | 0 | 125 | | |
| 298 | Q | 31.9 | Very low | 34.3 | Very low | 171 Ų | 171 | 133.6 Ų | 133.6 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | | | trans | 33.8 | 134 | 131.7 | -71.2 | -173.8 | 11.6 | 0 | 0 | 120.8 | | |
| 299 | V | 32.5 | Very low | 34.5 | Very low | 137 Ų | 137 | 132.5 Ų | 132.5 | 83% | 0.83 | 76% | 0.759 | S | S | * | * | | | | -175.8 | 141.9 | 106.5 | 160.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 300 | S | 32.7 | Very low | 34.2 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | | | trans | -59.8 | 154.9 | 173.9 | -49.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 301 | A | 32.2 | Very low | 34.9 | Very low | 89 Ų | 89 | 129.3 Ų | 129.3 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | | | | 168.1 | 138.2 | 122 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 302 | S | 31.9 | Very low | 35.4 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | 64.2 | 119 | 141.8 | 58.3 | 0 | 0 | 0 | 0 | 122.8 | | |
| 303 | S | 34.6 | Very low | 36 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | | | trans | -53 | -171.7 | 166.1 | -41 | 0 | 0 | 0 | 0 | 116.8 | | |
| 304 | P | 54.6 | Low | 36.8 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | | | | -121.9 | -171.3 | -65.6 | 35 | -16.1 | 0 | 0 | 0 | 111 | | |
| 305 | P | 39.9 | Very low | 37 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | | | | -143.6 | 151 | 116.5 | 32.9 | -16.2 | 0 | 0 | 0 | 115.5 | | |
| 306 | S | 36.7 | Very low | 37.8 | Very low | 111 Ų | 111 | 130.2 Ų | 130.2 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | | | trans | -64.8 | 146 | 163 | -67 | 0 | 0 | 0 | 0 | 111.7 | | |
| 307 | E | 34.1 | Very low | 38.7 | Very low | 180 Ų | 180 | 132.7 Ų | 132.7 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | | | trans | -167.9 | 129.8 | 132.4 | -109.2 | 175.8 | 163.9 | 0 | 0 | 113 | | |
| 308 | N | 33.1 | Very low | 40.2 | Very low | 145 Ų | 145 | 133.3 Ų | 133.3 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | | | trans | 46.4 | 111.1 | 146.3 | -73.8 | -30.1 | 0 | 0 | 0 | 121.6 | | |
| 309 | N | 34.8 | Very low | 41.3 | Very low | 157 Ų | 157 | 136.9 Ų | 136.9 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | | | trans | -152.9 | 126.5 | 132.8 | -142.6 | -12.1 | 0 | 0 | 0 | 111.2 | | |
| 310 | P | 43 | Very low | 42.3 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | | | trans | -73.4 | 159.2 | 175.7 | 29.5 | -34.1 | 0 | 0 | 0 | 112.8 | | |
| 311 | A | 40.7 | Very low | 43.6 | Very low | 90 Ų | 90 | 138.9 Ų | 138.9 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | | | trans | -49.6 | 167 | -170.7 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 312 | P | 40.8 | Very low | 45 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | | | | -120.8 | 136.8 | 119 | 34.3 | -30.2 | 0 | 0 | 0 | 112.3 | | |
| 313 | A | 44 | Very low | 46 | Very low | 82 Ų | 82 | 142.2 Ų | 142.2 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | | | trans | -72.8 | 160.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 314 | Q | 48 | Very low | 46.6 | Very low | 179 Ų | 179 | 143.8 Ų | 143.8 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | | | trans | 80.6 | 113.2 | 156.2 | -51.7 | -163.8 | -11 | 0 | 0 | 118.2 | | |
| 315 | K | 38.5 | Very low | 45.9 | Very low | 192 Ų | 192 | 142.8 Ų | 142.8 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | | | | -153.2 | 132.1 | 110.5 | -52.4 | -169.7 | -177.3 | 175.9 | 0 | 109.2 | K317 | K315-K317 PolarHBondContact O-N 3.39Å; K315-K317 VanDerWaalsContact O-N 3.15Å |
| 316 | P | 47.5 | Very low | 46 | Very low | 118 Ų | 118 | 143.4 Ų | 143.4 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | | | trans | -72.5 | 107.7 | 174 | 28.8 | -30.5 | 0 | 0 | 0 | 109.6 | I318 | P316-I318 VanDerWaalsContact C-N 3.32Å; P316-I318 PolarHBondContact O-N 2.95Å; P316-I318 VanDerWaalsContact O-N 3.15Å |
| 317 | K | 50.5 | Low | 45.9 | Very low | 184 Ų | 184 | 143 Ų | 143 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | | | trans | -83.3 | 81.3 | 169.5 | -94 | 166.7 | 176.6 | 171.8 | 0 | 109.1 | K315 | K315-K317 PolarHBondContact O-N 3.39Å; K315-K317 VanDerWaalsContact O-N 3.15Å |
| 318 | I | 63.1 | Low | 46.6 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | | | trans | -51.3 | 138.5 | 149.2 | 4.1 | 176.5 | 0 | 0 | 0 | 106.2 | P316 | P316-I318 VanDerWaalsContact C-N 3.32Å; P316-I318 PolarHBondContact O-N 2.95Å; P316-I318 VanDerWaalsContact O-N 3.15Å |
| 319 | W | 53.6 | Low | 46.8 | Very low | 247 Ų | 247 | 140.3 Ų | 140.3 | 94% | 0.936 | 81% | 0.808 | S | S | * | * | | | trans | 87 | 40.2 | -178.4 | -46.2 | 83.2 | 0 | 0 | 0 | 118.4 | | |
| 320 | S | 54.6 | Low | 46.6 | Very low | 101 Ų | 101 | 140 Ų | 140 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | | | trans | -105.1 | 104.6 | 154.5 | -73.5 | 0 | 0 | 0 | 0 | 110.1 | A322 | S320-A322 VanDerWaalsContact C-N 3.35Š|
| 321 | L | 58.8 | Low | 47 | Very low | 187 Ų | 187 | 138.9 Ų | 138.9 | 98% | 0.979 | 80% | 0.799 | S | S | * | * | | | trans | -94 | 22.7 | -178.5 | -151.6 | 82.2 | 0 | 0 | 0 | 113 | | |
| 322 | A | 61.5 | Low | 46.9 | Very low | 86 Ų | 86 | 146 Ų | 146 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | | | trans | -151.4 | 81.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S320 | S320-A322 VanDerWaalsContact C-N 3.35Š|
| 323 | E | 53 | Low | 46.6 | Very low | 189 Ų | 189 | 149.2 Ų | 149.2 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | | | trans | -159.2 | 50.2 | 156.8 | -140.7 | 173.5 | 149.7 | 0 | 0 | 112.7 | | |
| 324 | T | 48.2 | Very low | 46.4 | Very low | 146 Ų | 146 | 150.9 Ų | 150.9 | 90% | 0.896 | 81% | 0.814 | S | S | * | * | | | trans | -146.2 | 76.1 | 165.2 | 56.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 325 | A | 39.9 | Very low | 46.4 | Very low | 95 Ų | 95 | 147.7 Ų | 147.7 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | | | trans | -169.5 | 83.2 | 156.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 326 | T | 42.3 | Very low | 46.1 | Very low | 142 Ų | 142 | 146.3 Ų | 146.3 | 87% | 0.871 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -172.4 | 118.1 | 134.1 | 46 | 0 | 0 | 0 | 0 | 111.2 | | |
| 327 | A | 33.4 | Very low | 45.8 | Very low | 102 Ų | 102 | 147.2 Ų | 147.2 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | | | trans | 93 | 146.6 | 146.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 328 | P | 48.7 | Very low | 44.9 | Very low | 121 Ų | 121 | 145.5 Ų | 145.5 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | | | trans | -116 | 165.3 | -149.6 | 36 | -18.6 | 0 | 0 | 0 | 115.4 | | |
| 329 | D | 37.5 | Very low | 43.5 | Very low | 147 Ų | 147 | 141.9 Ų | 141.9 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | | | trans | 36.9 | 116.7 | 150.9 | -157.4 | 15.5 | 0 | 0 | 0 | 121.4 | | |
| 330 | N | 31.5 | Very low | 42.6 | Very low | 152 Ų | 152 | 135.9 Ų | 135.9 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | | | | -168.3 | 130.3 | 126.6 | -162 | 28.6 | 0 | 0 | 0 | 111.1 | | |
| 331 | P | 51.5 | Low | 41.6 | Very low | 88 Ų | 88 | 134.4 Ų | 134.4 | 57% | 0.571 | 80% | 0.802 | S | S | * | * | | | trans | -91 | 139.5 | 176.9 | 34.2 | -31.2 | 0 | 0 | 0 | 111.4 | | |
| 332 | R | 36.9 | Very low | 40.7 | Very low | 239 Ų | 239 | 135 Ų | 135 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | | | trans | 160.4 | 114.7 | 146.3 | -93.7 | -176.1 | -147.7 | 169.2 | 6.6 | 110.8 | | |
| 333 | K | 35 | Very low | 39.5 | Very low | 197 Ų | 197 | 135.2 Ų | 135.2 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | | | | 159.4 | 106.3 | 124.2 | -92.5 | 173 | 174.5 | -176.4 | 0 | 110.2 | | |
| 334 | S | 40.5 | Very low | 38.6 | Very low | 118 Ų | 118 | 130.3 Ų | 130.3 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | | | trans | -65.5 | 147.4 | 141.8 | -60.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 335 | P | 46.9 | Very low | 37.9 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | | -146.4 | 168.7 | 101.7 | 20.6 | 2.4 | 0 | 0 | 0 | 111.2 | | |
| 336 | Q | 33.3 | Very low | 37.5 | Very low | 163 Ų | 163 | 129.7 Ų | 129.7 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | | | cis | 177.9 | 134.8 | -9.4 | 175.5 | 179.1 | -26.1 | 0 | 0 | 102.6 | | |
| 337 | V | 40 | Very low | 36.9 | Very low | 137 Ų | 137 | 126.8 Ų | 126.8 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | | | trans | -74.5 | 132.3 | 169.8 | 170.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 338 | N | 32.7 | Very low | 36.8 | Very low | 147 Ų | 147 | 125.1 Ų | 125.1 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | | | trans | -155.4 | 129.3 | 158.4 | -117.6 | 25.6 | 0 | 0 | 0 | 106.3 | | |
| 339 | G | 33.9 | Very low | 36 | Very low | 63 Ų | 63 | 126.2 Ų | 126.2 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | | | cis | 105.4 | 82.4 | 15 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 340 | S | 34.3 | Very low | 35.9 | Very low | 122 Ų | 122 | 123.1 Ų | 123.1 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | trans | -164.2 | 118.1 | 155.3 | 44.1 | 0 | 0 | 0 | 0 | 106.7 | | |
| 341 | G | 33.4 | Very low | 36.1 | Very low | 70 Ų | 70 | 121.7 Ų | 121.7 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | | | cis | 86.2 | 113.9 | 42.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 342 | Q | 39.3 | Very low | 35.3 | Very low | 200 Ų | 200 | 125.5 Ų | 125.5 | 94% | 0.935 | 79% | 0.794 | S | S | * | * | | | | 173.1 | 168.2 | 57.5 | -91.6 | 167.5 | 21.2 | 0 | 0 | 105.5 | | |
| 343 | A | 37.7 | Very low | 35 | Very low | 90 Ų | 90 | 119 Ų | 119 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | | | cis | -176.2 | 151 | -11.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 344 | A | 33.4 | Very low | 34.9 | Very low | 86 Ų | 86 | 116.3 Ų | 116.3 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | | | trans | -174.7 | 99.1 | 136.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 345 | T | 34.4 | Very low | 34.5 | Very low | 145 Ų | 145 | 118.3 Ų | 118.3 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | | | | 49.9 | 126.4 | 128.6 | 61.9 | 0 | 0 | 0 | 0 | 118.6 | | |
| 346 | G | 30.9 | Very low | 33.9 | Very low | 82 Ų | 82 | 116.4 Ų | 116.4 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | | | cis | 148.1 | 131.5 | 18.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 347 | G | 29.9 | Very low | 34.7 | Very low | 81 Ų | 81 | 113.9 Ų | 113.9 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | | | trans | 167.7 | 84.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 348 | G | 30.5 | Very low | 34.4 | Very low | 68 Ų | 68 | 115.4 Ų | 115.4 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | | | trans | -68.9 | 176 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 349 | T | 33.4 | Very low | 34.7 | Very low | 143 Ų | 143 | 118.6 Ų | 118.6 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | | | cis | -177.2 | 167.5 | 0.5 | 19.5 | 0 | 0 | 0 | 0 | 105 | | |
| 350 | A | 33.8 | Very low | 35 | Very low | 82 Ų | 82 | 122.6 Ų | 122.6 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | | | trans | 83.6 | 100.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 351 | T | 35.6 | Very low | 35.4 | Very low | 123 Ų | 123 | 123.6 Ų | 123.6 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | | 49.5 | 111.3 | 81.5 | 73.4 | 0 | 0 | 0 | 0 | 111 | | |
| 352 | Q | 35.7 | Very low | 35.5 | Very low | 168 Ų | 168 | 124.6 Ų | 124.6 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | | 174.1 | 155.4 | 77.6 | -98.3 | -59.9 | 17.8 | 0 | 0 | 110.5 | | |
| 353 | T | 30.2 | Very low | 35.7 | Very low | 103 Ų | 103 | 120.7 Ų | 120.7 | 63% | 0.632 | 76% | 0.761 | S | S | * | * | | | trans | 87.3 | 107.3 | 139.9 | -64.1 | 0 | 0 | 0 | 0 | 121.8 | | |
| 354 | I | 33.5 | Very low | 35.6 | Very low | 140 Ų | 140 | 121.7 Ų | 121.7 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | | | | 74 | 114.2 | 125.9 | -63.2 | -177 | 0 | 0 | 0 | 121.1 | | |
| 355 | I | 31.8 | Very low | 36.2 | Very low | 160 Ų | 160 | 123.3 Ų | 123.3 | 82% | 0.821 | 77% | 0.765 | S | S | * | * | | | trans | 67.3 | 105 | 140.4 | -54.4 | 171 | 0 | 0 | 0 | 121.3 | | |
| 356 | G | 34.6 | Very low | 36.7 | Very low | 71 Ų | 71 | 123.8 Ų | 123.8 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | | | trans | 64.5 | 161.6 | 130.6 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 357 | P | 50.2 | Low | 36.8 | Very low | 110 Ų | 110 | 123 Ų | 123 | 71% | 0.714 | 76% | 0.76 | S | S | * | * | | | cis | -132.3 | 178.1 | -4.1 | 26.1 | -1.1 | 0 | 0 | 0 | 115.4 | | |
| 358 | H | 33.9 | Very low | 37.1 | Very low | 169 Ų | 169 | 128.1 Ų | 128.1 | 78% | 0.782 | 76% | 0.759 | S | S | * | * | | | trans | 113.3 | 115.3 | 154.9 | -65.1 | -75.3 | 0 | 0 | 0 | 120.6 | | |
| 359 | R | 38.1 | Very low | 37.8 | Very low | 215 Ų | 215 | 133.5 Ų | 133.5 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | | | trans | 84.2 | 93.2 | 156.7 | -64.6 | -171 | 179.8 | -101.8 | 1.4 | 117.5 | | |
| 360 | L | 40.5 | Very low | 38.2 | Very low | 146 Ų | 146 | 133.9 Ų | 133.9 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | | | | 72.8 | 121.6 | 75 | -70.6 | 180 | 0 | 0 | 0 | 110.4 | | |
| 361 | I | 42.8 | Very low | 38.2 | Very low | 144 Ų | 144 | 136.3 Ų | 136.3 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | | | cis | -158 | 116.1 | 15.4 | -58.2 | -169.3 | 0 | 0 | 0 | 106.2 | | |
| 362 | S | 34.2 | Very low | 38.4 | Very low | 91 Ų | 91 | 142.5 Ų | 142.5 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | | | | 73.3 | 101.9 | 94.5 | -148 | 0 | 0 | 0 | 0 | 115.1 | | |
| 363 | S | 43.9 | Very low | 38.5 | Very low | 117 Ų | 117 | 139 Ų | 139 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | -59.2 | 142.7 | 142.2 | 44.1 | 0 | 0 | 0 | 0 | 110 | | |
| 364 | C | 36.9 | Very low | 38.8 | Very low | 112 Ų | 112 | 141.2 Ų | 141.2 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | | | trans | -161 | 157 | 172.3 | -94.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 365 | P | 44.9 | Very low | 39 | Very low | 120 Ų | 120 | 145.5 Ų | 145.5 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | | | | -116.5 | -178.2 | -130 | 25.7 | -6.2 | 0 | 0 | 0 | 114.5 | G367 | P365-G367 PolarHBondContact O-N 3.38Š|
| 366 | V | 45.1 | Very low | 39.2 | Very low | 154 Ų | 154 | 142 Ų | 142 | 93% | 0.933 | 77% | 0.773 | S | S | * | * | | | trans | -42.6 | 132.1 | 171.9 | 119.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 367 | G | 34.1 | Very low | 39.4 | Very low | 67 Ų | 67 | 148 Ų | 148 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | | | trans | -145.8 | 101.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | P365 | P365-G367 PolarHBondContact O-N 3.38Š|
| 368 | K | 36.2 | Very low | 38.8 | Very low | 187 Ų | 187 | 147.1 Ų | 147.1 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | | | trans | 24.5 | 101.3 | 142.3 | -66.4 | 169 | 176.9 | 171.3 | 0 | 116.2 | Q370 | K368-Q370 PolarHBondContact O-N 2.72Š|
| 369 | I | 44.2 | Very low | 38.7 | Very low | 182 Ų | 182 | 143.3 Ų | 143.3 | 93% | 0.933 | 77% | 0.773 | S | S | * | * | | | trans | -60.9 | 109.1 | 154.9 | 13.5 | 172.4 | 0 | 0 | 0 | 107.6 | | |
| 370 | Q | 41.3 | Very low | 38.6 | Very low | 150 Ų | 150 | 141.6 Ų | 141.6 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | | | trans | -66 | 135.9 | 173.4 | -71.5 | -75 | -2 | 0 | 0 | 109.6 | K368 W372 | K368-Q370 PolarHBondContact O-N 2.72Å; Q370-W372 PolarHBondContact O-N 3.05Å |
| 371 | N | 34.6 | Very low | 38.4 | Very low | 134 Ų | 134 | 142.5 Ų | 142.5 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | | | trans | -45 | 117.9 | 154.7 | -92.8 | -30.8 | 0 | 0 | 0 | 109.7 | | |
| 372 | W | 38.8 | Very low | 38.2 | Very low | 253 Ų | 253 | 144.1 Ų | 144.1 | 96% | 0.958 | 78% | 0.784 | S | S | * | * | | | trans | -101.5 | 74 | 147.5 | -74.1 | -2.6 | 0 | 0 | 0 | 107.6 | Q370 | Q370-W372 PolarHBondContact O-N 3.05Š|
| 373 | T | 38.9 | Very low | 38.3 | Very low | 93 Ų | 93 | 143.5 Ų | 143.5 | 57% | 0.571 | 78% | 0.784 | S | S | * | * | | | trans | -78.3 | 144.6 | 148 | 50.1 | 0 | 0 | 0 | 0 | 107.5 | | |
| 374 | N | 36.7 | Very low | 38.1 | Very low | 151 Ų | 151 | 145.7 Ų | 145.7 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | | | trans | 70.4 | 86.2 | 164.3 | -56 | -54.3 | 0 | 0 | 0 | 116.8 | | |
| 375 | R | 37 | Very low | 38.3 | Very low | 230 Ų | 230 | 148.1 Ų | 148.1 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | | | trans | -95.9 | 96.7 | 134 | -148 | 175.8 | -163.2 | -164.9 | 3.5 | 107.7 | F377 | R375-F377 PolarHBondContact O-N 3.04Š|
| 376 | A | 36.7 | Very low | 38 | Very low | 86 Ų | 86 | 148.9 Ų | 148.9 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | -54.2 | 119.3 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | S378 | A376-S378 VanDerWaalsContact C-N 3.34Å; A376-S378 PolarHBondContact O-N 3.23Å; A376-S378 VanDerWaalsContact O-N 3.14Å |
| 377 | F | 38.6 | Very low | 37.6 | Very low | 197 Ų | 197 | 146 Ų | 146 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | | | trans | -75.5 | 100.2 | 158.6 | -97.6 | -85.7 | 0 | 0 | 0 | 106.9 | R375 A379 | R375-F377 PolarHBondContact O-N 3.04Å; F377-A379 PolarHBondContact O-N 3.4Å |
| 378 | S | 36.5 | Very low | 37.8 | Very low | 92 Ų | 92 | 149.4 Ų | 149.4 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | | | trans | -53.9 | 125.5 | 165.6 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | A376 H380 | A376-S378 VanDerWaalsContact C-N 3.34Å; A376-S378 PolarHBondContact O-N 3.23Å; A376-S378 VanDerWaalsContact O-N 3.14Å; S378-H380 PolarHBondContact O-N 3.15Å |
| 379 | A | 33.5 | Very low | 38 | Very low | 88 Ų | 88 | 148.4 Ų | 148.4 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | trans | -42.9 | 122 | 161.2 | 0 | 0 | 0 | 0 | 0 | 110 | F377 | F377-A379 PolarHBondContact O-N 3.4Š|
| 380 | H | 35.7 | Very low | 37.8 | Very low | 180 Ų | 180 | 149.9 Ų | 149.9 | 83% | 0.833 | 77% | 0.77 | S | S | * | * | | | trans | -100.2 | 113.9 | 146.4 | -90 | 71.7 | 0 | 0 | 0 | 106.5 | S378 L382 | S378-H380 PolarHBondContact O-N 3.15Å; H380-L382 PolarHBondContact O-N 3.15Å |
| 381 | Q | 36 | Very low | 37.5 | Very low | 164 Ų | 164 | 151.4 Ų | 151.4 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | | | trans | -56.8 | 129.5 | 157.3 | -73.9 | -160.4 | 17.9 | 0 | 0 | 109 | | |
| 382 | L | 38.2 | Very low | 37.3 | Very low | 178 Ų | 178 | 147.5 Ų | 147.5 | 93% | 0.932 | 77% | 0.774 | S | S | * | * | | | trans | -136.7 | 86.6 | 138.8 | -76 | 179.3 | 0 | 0 | 0 | 107 | H380 | H380-L382 PolarHBondContact O-N 3.15Š|
| 383 | A | 36.2 | Very low | 37.2 | Very low | 78 Ų | 78 | 143.5 Ų | 143.5 | 65% | 0.645 | 77% | 0.771 | S | S | * | * | | | trans | -86.4 | 121.1 | 153.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 384 | L | 39.7 | Very low | 37.1 | Very low | 163 Ų | 163 | 143.4 Ų | 143.4 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | | | trans | 155.6 | 146.2 | 137.2 | -82.2 | 167.5 | 0 | 0 | 0 | 110.4 | | |
| 385 | L | 41.3 | Very low | 37 | Very low | 164 Ų | 164 | 143.5 Ų | 143.5 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | | | trans | 89.6 | 72.5 | -167.9 | -53.5 | 153.6 | 0 | 0 | 0 | 110.8 | | |
| 386 | N | 38.9 | Very low | 36.9 | Very low | 136 Ų | 136 | 142.1 Ų | 142.1 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | | 31.2 | 93.7 | 67.7 | -161.2 | 11.1 | 0 | 0 | 0 | 113.5 | | |
| 387 | S | 35.5 | Very low | 36.8 | Very low | 93 Ų | 93 | 140.9 Ų | 140.9 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | | | trans | -153.8 | 78.6 | 155.6 | -73.1 | 0 | 0 | 0 | 0 | 108.8 | H389 | S387-H389 PolarHBondContact O-N 3.21Š|
| 388 | N | 38.5 | Very low | 36.6 | Very low | 138 Ų | 138 | 138.1 Ų | 138.1 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | | | trans | -67.1 | 106.7 | 151.8 | -80.9 | -49.4 | 0 | 0 | 0 | 107.8 | | |
| 389 | H | 40.7 | Very low | 36.5 | Very low | 167 Ų | 167 | 137.5 Ų | 137.5 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | trans | -104.5 | 96.7 | 156.9 | -78.1 | -92.1 | 0 | 0 | 0 | 106.2 | S387 | S387-H389 PolarHBondContact O-N 3.21Š|
| 390 | Y | 39.4 | Very low | 36.6 | Very low | 213 Ų | 213 | 140 Ų | 140 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | | | | 43.1 | 81.1 | 87.8 | -85.9 | -84.5 | 0 | 0 | 0 | 113.5 | | |
| 391 | L | 36.9 | Very low | 36.4 | Very low | 181 Ų | 181 | 136.2 Ų | 136.2 | 95% | 0.948 | 77% | 0.773 | S | S | * | * | | | trans | -118.6 | 84.3 | 140.5 | -110.1 | 158.6 | 0 | 0 | 0 | 106.8 | | |
| 392 | G | 29.7 | Very low | 36.4 | Very low | 53 Ų | 53 | 136 Ų | 136 | 55% | 0.546 | 78% | 0.776 | S | S | . | * | | | trans | -96.1 | 124.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 393 | L | 37.1 | Very low | 36.3 | Very low | 169 Ų | 169 | 131.6 Ų | 131.6 | 89% | 0.885 | 77% | 0.766 | S | S | * | * | | | trans | -153.2 | 102.3 | 137.3 | -125.8 | 77.1 | 0 | 0 | 0 | 106.1 | | |
| 394 | A | 36.4 | Very low | 36.3 | Very low | 90 Ų | 90 | 135.7 Ų | 135.7 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | | | | 71.8 | 91.3 | 109.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 395 | N | 34.9 | Very low | 36.2 | Very low | 154 Ų | 154 | 138.7 Ų | 138.7 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | | | | 54.8 | 101.3 | 77.8 | -147.3 | 10.9 | 0 | 0 | 0 | 113 | | |
| 396 | Q | 35.4 | Very low | 35.8 | Very low | 200 Ų | 200 | 134.9 Ų | 134.9 | 94% | 0.935 | 77% | 0.765 | S | S | * | * | | | trans | -132.9 | 115.4 | 142.4 | -164.2 | 176 | 101.9 | 0 | 0 | 108.2 | | |
| 397 | A | 34.2 | Very low | 35.5 | Very low | 61 Ų | 61 | 133.1 Ų | 133.1 | 50% | 0.504 | 76% | 0.763 | S | S | . | * | | | trans | -91.7 | 156.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 398 | T | 33.9 | Very low | 35.5 | Very low | 138 Ų | 138 | 139 Ų | 139 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | | | trans | 64.3 | 120.6 | 146 | 53 | 0 | 0 | 0 | 0 | 119.6 | | |
| 399 | A | 34.5 | Very low | 35.3 | Very low | 80 Ų | 80 | 140 Ų | 140 | 66% | 0.661 | 77% | 0.771 | S | S | * | * | | | | 178.8 | 136.7 | 108.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 400 | T | 36.2 | Very low | 35.1 | Very low | 141 Ų | 141 | 137.4 Ų | 137.4 | 87% | 0.865 | 77% | 0.767 | S | S | * | * | | | trans | 66.1 | 143.3 | 142 | 54 | 0 | 0 | 0 | 0 | 119.6 | | |
| 401 | S | 30.6 | Very low | 34.9 | Very low | 100 Ų | 100 | 136.3 Ų | 136.3 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | | | cis | -173.9 | 148.6 | -6.5 | -176.2 | 0 | 0 | 0 | 0 | 108 | | |
| 402 | L | 36.9 | Very low | 34.9 | Very low | 158 Ų | 158 | 135.1 Ų | 135.1 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | | | trans | -6.9 | 138.7 | 151.9 | -67.9 | 148.4 | 0 | 0 | 0 | 120.6 | | |
| 403 | A | 36.3 | Very low | 35.2 | Very low | 87 Ų | 87 | 142.2 Ų | 142.2 | 72% | 0.719 | 78% | 0.78 | S | S | * | * | | | | 168 | 113.4 | 124.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 404 | L | 35.1 | Very low | 35.1 | Very low | 163 Ų | 163 | 137.7 Ų | 137.7 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | | | | 70.8 | 107.4 | 84.6 | -79.4 | 166.1 | 0 | 0 | 0 | 116.1 | | |
| 405 | Y | 37.2 | Very low | 35.2 | Very low | 226 Ų | 226 | 141.4 Ų | 141.4 | 89% | 0.886 | 76% | 0.764 | S | S | * | * | | | trans | -179.8 | 108.4 | 130 | -127.6 | -102.5 | 0 | 0 | 0 | 108.5 | | |
| 406 | S | 34.2 | Very low | 35.1 | Very low | 85 Ų | 85 | 138.4 Ų | 138.4 | 59% | 0.594 | 76% | 0.756 | S | S | * | * | | | | 81.2 | 121.8 | 66.8 | -165.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 407 | S | 32.8 | Very low | 35.2 | Very low | 98 Ų | 98 | 134.5 Ų | 134.5 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | | | trans | 73.5 | 144.4 | 148.7 | -67.7 | 0 | 0 | 0 | 0 | 118.2 | | |
| 408 | R | 35.3 | Very low | 35.4 | Very low | 218 Ų | 218 | 140 Ų | 140 | 82% | 0.823 | 77% | 0.766 | S | S | * | * | | | cis | -168.9 | 148.5 | 7.9 | -118.8 | 175.3 | -178.3 | -161.3 | -0.3 | 110 | | |
| 409 | Q | 34.8 | Very low | 35.8 | Very low | 158 Ų | 158 | 139.3 Ų | 139.3 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | | | trans | 19.4 | 120.3 | 135.2 | -87.4 | -178.2 | -6.6 | 0 | 0 | 120.5 | | |
| 410 | T | 35.2 | Very low | 36.6 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 69% | 0.693 | 76% | 0.763 | S | S | * | * | | | | 87.3 | 124.8 | 98.3 | 60.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 411 | E | 35.6 | Very low | 36.8 | Very low | 189 Ų | 189 | 139.6 Ų | 139.6 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | | | | -175.7 | 132 | 116.7 | -102.9 | -178 | 126 | 0 | 0 | 112.5 | | |
| 412 | D | 36.3 | Very low | 37.5 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | | | trans | -64.8 | 142.9 | 159.5 | -87 | -52.4 | 0 | 0 | 0 | 111.2 | | |
| 413 | K | 37.1 | Very low | 37.7 | Very low | 201 Ų | 201 | 137 Ų | 137 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | | | | -164.2 | 145.8 | 128.2 | -145.6 | 104 | 175.7 | -171.9 | 0 | 113 | | |
| 414 | S | 35 | Very low | 38.2 | Very low | 75 Ų | 75 | 139.3 Ų | 139.3 | 52% | 0.524 | 76% | 0.762 | S | S | . | * | | | trans | -74.9 | 177.4 | -167.6 | 45.5 | 0 | 0 | 0 | 0 | 118.2 | | |
| 415 | H | 37.7 | Very low | 38.5 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | | | trans | 88.7 | 141.5 | 158.5 | -61.5 | -68.1 | 0 | 0 | 0 | 116.4 | | |
| 416 | S | 33.8 | Very low | 39.7 | Very low | 92 Ų | 92 | 132.4 Ų | 132.4 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | | | cis | -178.6 | 162.8 | -12.2 | -104.5 | 0 | 0 | 0 | 0 | 105.5 | | |
| 417 | S | 36.2 | Very low | 40.3 | Very low | 118 Ų | 118 | 140 Ų | 140 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | | | trans | 71.9 | 112.5 | 151.8 | 55.2 | 0 | 0 | 0 | 0 | 120.1 | | |
| 418 | E | 39.3 | Very low | 41.3 | Very low | 176 Ų | 176 | 147.6 Ų | 147.6 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | | | trans | -78.1 | 153.7 | 154.9 | -60.4 | 178 | 110.4 | 0 | 0 | 112.5 | | |
| 419 | T | 41.8 | Very low | 41.6 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | | | trans | 75 | 162.8 | 152.9 | 77.8 | 0 | 0 | 0 | 0 | 118.2 | | |
| 420 | P | 51.3 | Low | 41.9 | Very low | 107 Ų | 107 | 143.3 Ų | 143.3 | 70% | 0.695 | 80% | 0.797 | S | S | * | * | | | cis | -142.5 | 171.5 | 5.7 | 41.8 | -22.2 | 0 | 0 | 0 | 117.2 | | |
| 421 | V | 41.4 | Very low | 42.3 | Very low | 120 Ų | 120 | 145 Ų | 145 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | | | trans | 70.3 | 124.1 | 132.4 | 163.4 | 0 | 0 | 0 | 0 | 123.1 | | |
| 422 | T | 44.9 | Very low | 42.7 | Very low | 137 Ų | 137 | 142.4 Ų | 142.4 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | | | trans | 72.6 | 136.6 | 147.6 | 52.9 | 0 | 0 | 0 | 0 | 123.6 | | |
| 423 | G | 40.9 | Very low | 43.1 | Very low | 67 Ų | 67 | 141.5 Ų | 141.5 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | | | trans | 155.4 | 77.2 | 165 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 424 | T | 47.5 | Very low | 43.5 | Very low | 135 Ų | 135 | 137.5 Ų | 137.5 | 83% | 0.828 | 79% | 0.791 | S | S | * | * | | | | 49.9 | 107.1 | 96.5 | -29.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 425 | C | 40.3 | Very low | 44.1 | Very low | 127 Ų | 127 | 142 Ų | 142 | 86% | 0.858 | 81% | 0.81 | S | S | * | * | | | trans | -179.7 | 161 | 134.4 | -97.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 426 | P | 61.8 | Low | 44.6 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | | | trans | -114.1 | 168.2 | -143.2 | 41.2 | -32.3 | 0 | 0 | 0 | 114.9 | | |
| 427 | R | 48.4 | Very low | 45.5 | Very low | 244 Ų | 244 | 144.1 Ų | 144.1 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | | | trans | -157 | 100.8 | 152.1 | -113.3 | -178.5 | 173.7 | -169.5 | -2.1 | 107.8 | | |
| 428 | H | 52.5 | Low | 46.4 | Very low | 257 Ų | 257 | 146.5 Ų | 146.5 | 100% | 1.19 | 83% | 0.827 | S | S | * | * | | | | 87.6 | 0 | 81.4 | -135.2 | -47.1 | 0 | 0 | 0 | 113.2 | | |